data_2mf1_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 2mf1 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.021 -0.514 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.21 115.33 30.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.469 0.708 . . . . 0.0 109.602 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.14 136.07 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.134 0.974 . . . . 0.0 109.456 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -131.91 159.82 37.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.13 0.972 . . . . 0.0 109.89 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -121.61 100.96 7.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.8 132.63 54.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.216 0.606 . . . . 0.0 110.687 -168.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -96.54 156.16 16.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.987 -0.446 . . . . 0.0 110.389 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -46.51 127.94 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.53 0.732 . . . . 0.0 111.181 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.57 -4.11 69.09 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.212 0.91 . . . . 0.0 114.356 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -100.12 175.02 5.88 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.492 1.146 . . . . 0.0 111.448 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 m -139.86 150.55 44.77 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -168.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.3 mm -109.75 155.31 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 125.658 1.583 . . . . 0.0 109.502 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -128.1 137.55 52.17 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.318 1.047 . . . . 0.0 110.461 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -131.3 130.98 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.451 1.1 . . . . 0.0 109.372 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.73 -129.06 30.04 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -130.04 3.49 4.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.905 0.882 . . . . 0.0 112.4 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -133.4 -13.7 2.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -168.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.5 mt -110.57 139.37 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.812 0.845 . . . . 0.0 110.39 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -136.07 148.27 48.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.825 0.85 . . . . 0.0 109.155 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -128.56 138.69 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 108.575 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -129.7 129.69 44.54 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.317 0.647 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.66 97.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.91 -31.47 69.28 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -174.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.73 -173.94 44.56 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 123.131 0.396 . . . . 0.0 113.106 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 147.55 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.624 0.77 . . . . 0.0 111.099 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -138.48 64.79 1.48 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.637 1.175 . . . . 0.0 109.696 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.93 -117.82 7.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.87 -1.89 55.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.586 0.754 . . . . 0.0 112.48 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -117.67 160.03 21.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.936 0.874 . . . . 0.0 112.414 169.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.04 134.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.981 1.713 . . . . 0.0 109.506 -166.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -104.38 101.96 11.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.976 0.51 . . . . 0.0 110.188 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -111.85 133.75 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.576 1.15 . . . . 0.0 109.843 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.87 139.68 14.99 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.952 0.787 . . . . 0.0 111.57 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -109.47 132.95 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.115 1.366 . . . . 0.0 108.395 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -119.94 74.97 1.05 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.552 1.141 . . . . 0.0 109.388 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.5 153.57 44.87 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.742 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.13 154.94 47.27 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.747 2.298 . . . . 0.0 110.599 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -68.33 -4.24 13.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.27 -25.41 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.92 0.888 . . . . 0.0 112.136 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.96 143.98 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.805 0.812 . . . . 0.0 111.628 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 143.02 29.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.586 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.75 130.69 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 122.832 0.453 . . . . 0.0 110.172 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -150.83 158.07 43.7 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.891 0.476 . . . . 0.0 111.537 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -62.75 159.12 17.01 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.977 0.911 . . . . 0.0 109.232 168.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.13 -42.42 99.51 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.925 1.239 . . . . 0.0 111.991 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -72.99 -0.22 13.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.522 -0.736 . . . . 0.0 112.975 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.38 -10.29 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 124.423 1.089 . . . . 0.0 111.073 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -80.06 -42.28 24.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.427 -1.421 . . . . 0.0 110.453 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -73.11 -20.66 60.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.874 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -76.47 -33.11 58.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.09 0.556 . . . . 0.0 111.631 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.17 -50.09 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.944 0.898 . . . . 0.0 109.677 171.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.35 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.8 tpp . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.16 118.27 36.27 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 169.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -113.59 138.27 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -136.55 137.6 40.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.085 1.354 . . . . 0.0 110.241 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m -102.53 102.04 12.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -108.13 129.68 55.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.055 1.742 . . . . 0.0 110.64 -168.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -77.97 155.7 30.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.202 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -61.31 133.96 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.489 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.35 -4.47 73.64 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 119.273 -0.737 . . . . 0.0 114.443 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -90.3 170.93 9.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.611 1.206 . . . . 0.0 111.003 172.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.5 m -136.68 164.49 28.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.429 0.691 . . . . 0.0 112.406 -170.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mt -145.63 157.79 12.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 126.482 1.913 . . . . 0.0 108.826 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -135.67 146.65 48.02 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.966 0.906 . . . . 0.0 111.801 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.65 128.77 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.575 1.15 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.46 -134.35 51.72 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.74 5.06 6.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.79 0.836 . . . . 0.0 112.799 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -115.37 -20.0 10.48 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.05 135.07 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.163 0.892 . . . . 0.0 111.403 -169.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -129.3 148.02 51.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.792 1.237 . . . . 0.0 109.603 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -129.68 141.62 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 125.111 1.364 . . . . 0.0 108.509 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -133.87 130.23 37.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.091 0.556 . . . . 0.0 109.933 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -85.37 93.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.44 -33.38 75.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.839 -0.538 . . . . 0.0 110.974 -171.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.18 -178.0 40.95 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.66 150.33 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 169.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -124.86 79.37 1.77 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 -119.23 4.92 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.66 10.26 41.49 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.112 -0.64 . . . . 0.0 111.206 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -98.94 152.52 19.69 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.977 0.911 . . . . 0.0 109.919 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.53 111.86 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -84.05 116.37 22.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.497 1.119 . . . . 0.0 109.526 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.7 129.43 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.125 0.97 . . . . 0.0 109.526 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.42 133.01 11.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 171.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.57 128.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.806 0.812 . . . . 0.0 109.216 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -130.83 74.86 1.62 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.286 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.35 157.39 49.37 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.972 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' B' ' 39' ' ' ASP . 29.3 Cg_endo -59.21 152.15 62.04 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.393 1.396 . . . . 0.0 109.61 168.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.56 -0.69 4.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.68 1.192 . . . . 0.0 112.827 172.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 37' ' ' PRO . 0.9 OUTLIER -65.89 -28.17 68.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.026 1.73 . . . . 0.0 111.58 170.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -106.89 144.14 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.494 1.117 . . . . 0.0 110.174 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.479 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -84.8 141.25 30.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.388 0.613 . . . . 0.0 111.807 172.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 t -144.96 100.5 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.388 -166.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.479 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.6 OUTLIER -146.2 166.48 26.09 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.208 1.003 . . . . 0.0 110.959 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -69.22 158.4 35.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 122.117 -0.364 . . . . 0.0 110.348 168.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -54.19 -38.18 65.32 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.167 0.587 . . . . 0.0 112.34 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.52 -46.61 38.77 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.995 0.518 . . . . 0.0 111.208 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.65 -47.6 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 125.374 1.47 . . . . 0.0 110.029 -172.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -50.3 -36.47 31.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.122 0.969 . . . . 0.0 111.671 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.74 -23.39 63.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -82.94 -39.48 21.37 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.567 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.06 -40.83 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -80.2 4.96 15.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.13 50.73 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.025 0.53 . . . . 0.0 111.164 168.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.69 47.61 0.09 OUTLIER Glycine 0 C--N 1.338 0.653 0 C-N-CA 123.651 0.643 . . . . 0.0 114.102 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.74 -176.97 2.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.885 0.843 . . . . 0.0 112.805 -168.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.9 p -125.37 -177.64 3.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.468 1.507 . . . . 0.0 109.47 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.0 119.22 1.69 Allowed Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.084 0.954 . . . . 0.0 111.31 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -68.26 177.19 4.74 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.196 1.931 . . . . 0.0 113.929 -169.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.454 -0.26 0 C-N-CA 124.546 1.138 . . . . 0.0 112.858 177.119 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.84 110.46 22.63 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.79 133.68 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.718 0.807 . . . . 0.0 109.657 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.8 140.78 50.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.59 1.156 . . . . 0.0 109.666 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p -100.25 143.96 29.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.83 0.348 . . . . 0.0 110.79 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -134.78 141.32 46.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.393 0.677 . . . . 0.0 110.563 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.489 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.8 tptm -77.29 155.77 31.83 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.75 132.72 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 119.139 0.881 . . . . 0.0 111.295 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.23 -4.25 84.36 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.61 1.1 . . . . 0.0 113.991 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -86.91 173.32 9.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.203 1.501 . . . . 0.0 111.803 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -136.49 159.3 42.19 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -167.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 61.5 mt -136.49 159.04 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 127.887 2.475 . . . . 0.0 107.834 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -132.45 150.3 52.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.836 0.854 . . . . 0.0 111.62 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -133.28 136.68 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.478 1.111 . . . . 0.0 109.138 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -140.81 47.17 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.54 0.59 . . . . 0.0 111.779 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.17 7.35 12.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.686 1.194 . . . . 0.0 111.054 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.51 -13.83 5.36 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -169.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.53 135.51 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.947 0.794 . . . . 0.0 110.901 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -122.67 142.68 50.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.647 1.179 . . . . 0.0 109.612 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -124.23 139.75 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.076 1.351 . . . . 0.0 108.273 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -132.13 130.29 40.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.44 112.82 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 168.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -83.56 -45.11 13.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 121.722 -0.611 . . . . 0.0 110.01 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.08 -177.91 48.6 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 121.6 -0.333 . . . . 0.0 112.951 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.21 151.45 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 123.205 0.602 . . . . 0.0 110.779 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -140.07 100.23 3.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.415 1.086 . . . . 0.0 108.105 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.97 -124.14 22.89 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -169.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.55 -0.8 51.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.324 1.05 . . . . 0.0 111.939 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -85.06 153.31 22.8 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.289 0.566 . . . . 0.0 110.815 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -130.32 122.18 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 125.211 1.404 . . . . 0.0 108.186 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -82.23 118.03 22.8 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.23 130.84 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 125.218 1.407 . . . . 0.0 108.885 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.75 137.04 13.17 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.22 0.914 . . . . 0.0 111.996 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -122.92 121.62 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.622 1.169 . . . . 0.0 108.823 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -118.49 98.66 6.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.266 0.627 . . . . 0.0 110.128 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.26 155.06 80.23 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.254 1.021 . . . . 0.0 110.02 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.42 151.39 83.11 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.664 2.242 . . . . 0.0 111.0 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.24 -0.94 2.84 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.344 0.657 . . . . 0.0 112.615 172.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.9 -23.24 66.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 169.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.02 148.67 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.307 1.043 . . . . 0.0 110.478 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.12 154.3 22.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.298 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.22 132.29 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -153.66 153.83 33.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.334 0.654 . . . . 0.0 110.746 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -74.25 159.03 33.02 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -61.32 -32.76 72.64 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -168.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.56 -21.58 62.68 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -95.12 -35.75 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.472 0.709 . . . . 0.0 110.696 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.7 -37.04 49.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.219 1.008 . . . . 0.0 112.182 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.94 -28.86 66.66 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.834 0.854 . . . . 0.0 112.723 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -69.36 -38.32 78.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.213 0.605 . . . . 0.0 111.707 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.708 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -112.04 113.64 26.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.263 1.425 . . . . 0.0 107.962 168.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -99.28 133.85 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.768 1.227 . . . . 0.0 109.462 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 mt -123.09 172.14 8.78 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.373 1.469 . . . . 0.0 109.807 172.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -134.81 109.92 8.85 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.996 169.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -123.26 149.77 44.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.857 0.863 . . . . 0.0 111.122 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -80.76 161.07 24.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.301 0.572 . . . . 0.0 111.693 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -54.88 138.84 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.561 0.744 . . . . 0.0 111.45 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.54 83.15 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.465 1.031 . . . . 0.0 113.918 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -90.61 174.9 7.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.905 1.353 . . . . 0.0 112.961 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.66 152.32 51.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.028 0.931 . . . . 0.0 112.276 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -142.12 161.43 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.17 1.788 . . . . 0.0 108.553 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -137.59 146.47 44.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 112.035 -171.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 136.26 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.9 1.28 . . . . 0.0 109.176 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.19 -136.63 50.36 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.97 9.94 6.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.958 0.903 . . . . 0.0 112.425 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -125.65 -14.2 6.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.01 135.28 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.991 0.814 . . . . 0.0 110.864 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 58.7 m -125.9 146.85 49.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.298 1.039 . . . . 0.0 110.019 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -124.87 143.47 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.776 1.63 . . . . 0.0 108.127 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -136.96 124.14 21.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.77 105.69 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.51 -32.13 47.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.027 0.531 . . . . 0.0 110.604 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.87 -173.76 41.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 122.152 -0.071 . . . . 0.0 113.174 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -112.75 163.86 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.255 0.622 . . . . 0.0 111.116 169.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -147.21 80.94 1.53 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.427 1.091 . . . . 0.0 108.146 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.18 -115.64 4.71 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -171.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.489 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.7 mp0 -92.48 -13.53 29.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.011 0.924 . . . . 0.0 110.668 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -73.62 147.35 43.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.466 0.651 . . . . 0.0 110.599 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -132.5 116.24 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 -91.98 111.97 23.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.527 1.131 . . . . 0.0 108.804 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.72 125.18 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.507 0.723 . . . . 0.0 109.883 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.86 137.95 14.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 171.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.62 143.94 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.168 0.987 . . . . 0.0 108.492 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.09 105.59 5.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.371 0.669 . . . . 0.0 109.267 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.45 155.71 64.0 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.228 1.011 . . . . 0.0 110.031 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.74 151.95 82.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.701 2.267 . . . . 0.0 111.045 170.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.09 -1.35 7.45 Favored 'General case' 0 C--N 1.337 0.061 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.1 -21.94 66.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.375 1.07 . . . . 0.0 111.251 168.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.19 158.36 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.357 1.063 . . . . 0.0 110.641 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 157.11 16.14 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.304 0.642 . . . . 0.0 112.089 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.5 125.8 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 122.033 -0.417 . . . . 0.0 110.095 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -151.86 166.69 30.66 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.496 0.718 . . . . 0.0 111.841 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -62.67 155.76 25.42 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 167.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.29 -38.74 84.56 Favored 'General case' 0 CA--C 1.528 0.108 0 O-C-N 121.508 -0.745 . . . . 0.0 111.626 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.5 -23.98 67.62 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.943 0.897 . . . . 0.0 112.996 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm -94.77 -41.51 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.781 1.232 . . . . 0.0 110.911 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.42 -35.92 13.75 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.295 1.438 . . . . 0.0 112.097 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.42 -21.83 65.7 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.6 1.16 . . . . 0.0 113.276 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -84.53 -39.04 19.3 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.534 1.134 . . . . 0.0 110.221 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.407 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.455 -0.219 0 C-N-CA 125.517 1.527 . . . . 0.0 110.51 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 119.894 -0.098 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -139.62 121.73 15.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.817 0.847 . . . . 0.0 109.521 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -105.06 129.8 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.818 0.847 . . . . 0.0 108.863 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.2 165.07 29.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.017 0.927 . . . . 0.0 111.602 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -128.21 123.62 34.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.288 0.635 . . . . 0.0 109.653 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -133.49 138.38 46.11 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.658 1.183 . . . . 0.0 109.98 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -95.6 168.47 10.66 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.82 137.03 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.154 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.83 -4.1 83.28 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.05 0.834 . . . . 0.0 114.314 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -93.97 169.89 9.94 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.831 1.315 . . . . 0.0 111.596 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -133.54 154.88 50.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -168.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mt -141.38 157.84 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 126.313 1.845 . . . . 0.0 108.347 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -140.35 150.14 43.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -137.55 140.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.888 1.275 . . . . 0.0 109.151 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 -138.65 48.1 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -121.81 8.58 9.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.026 0.931 . . . . 0.0 111.797 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -138.38 -7.92 1.51 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.3 135.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 110.904 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.7 m -127.14 143.44 51.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.464 1.106 . . . . 0.0 110.213 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mm -123.18 136.81 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.215 1.406 . . . . 0.0 108.29 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -134.52 125.84 28.16 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.129 0.572 . . . . 0.0 109.828 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -78.65 109.17 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.8 -31.88 59.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.483 0.313 . . . . 0.0 110.479 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -172.53 33.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.111 0.386 . . . . 0.0 113.346 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.64 159.1 24.47 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.776 0.83 . . . . 0.0 112.261 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -146.24 89.96 1.91 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.198 1.399 . . . . 0.0 108.619 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.48 -113.59 5.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -93.7 -17.67 22.96 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.269 0.534 . . . . 0.0 111.786 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -74.63 140.57 44.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.469 0.708 . . . . 0.0 109.761 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.6 112.73 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -88.24 119.51 28.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.94 129.92 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.906 0.882 . . . . 0.0 110.092 -169.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.69 140.68 15.45 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.151 0.881 . . . . 0.0 111.177 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.31 126.03 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.766 1.226 . . . . 0.0 108.742 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.17 98.93 5.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.77 155.03 79.73 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 124.724 1.209 . . . . 0.0 110.445 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.0 158.02 40.93 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 122.821 2.347 . . . . 0.0 112.094 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -72.03 -0.99 13.05 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.495 0.718 . . . . 0.0 112.614 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.96 -23.13 65.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.689 1.196 . . . . 0.0 111.718 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -122.02 157.61 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.77 159.3 15.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.1 128.03 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.886 0.474 . . . . 0.0 110.583 171.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -150.97 174.11 13.51 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.856 1.263 . . . . 0.0 109.365 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . 0.413 HH21 HD23 ' F' ' 4' ' ' LEU . 6.3 ptp85 -81.34 166.03 20.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.589 -0.694 . . . . 0.0 110.219 169.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.13 -31.15 68.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.992 0.517 . . . . 0.0 112.341 -170.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.34 -48.65 79.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.338 1.055 . . . . 0.0 111.674 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -81.87 -33.03 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.564 0.745 . . . . 0.0 109.813 -171.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -50.94 -35.4 33.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.482 1.113 . . . . 0.0 112.619 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.52 -22.06 63.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.919 0.887 . . . . 0.0 112.65 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -71.81 -46.88 56.7 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.176 0.59 . . . . 0.0 109.634 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.48 -22.96 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 125.415 1.486 . . . . 0.0 110.626 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 169.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 111.093 0.034 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.53 150.13 20.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.779 0.432 . . . . 0.0 111.391 173.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.73 133.09 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 169.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . 0.413 HD23 HH21 ' E' ' 44' ' ' ARG . 55.9 mt -128.93 161.07 30.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.003 1.321 . . . . 0.0 110.151 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.06 100.94 6.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.24 0.543 . . . . 0.0 109.807 169.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -105.0 138.94 40.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 126.26 1.824 . . . . 0.0 109.347 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -101.99 167.99 9.69 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 120.495 1.498 . . . . 0.0 112.986 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -56.93 137.49 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.844 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.22 -6.85 78.6 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.364 0.983 . . . . 0.0 113.853 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -98.29 173.51 6.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.643 1.222 . . . . 0.0 111.715 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 158.51 43.22 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 mt -137.54 158.17 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.732 2.013 . . . . 0.0 108.329 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.63 149.0 50.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.47 -0.769 . . . . 0.0 112.555 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.0 mt -136.91 140.4 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.59 1.156 . . . . 0.0 109.19 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -134.92 49.77 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.46 10.01 6.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.244 1.017 . . . . 0.0 112.328 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -131.23 -22.24 2.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.74 136.42 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 119.116 0.871 . . . . 0.0 110.84 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -127.34 142.58 51.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.316 1.046 . . . . 0.0 110.228 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mm -121.47 142.18 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.443 1.497 . . . . 0.0 108.201 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -135.41 127.63 30.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.149 0.58 . . . . 0.0 109.652 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.01 111.84 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.12 -27.7 26.06 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.207 0.603 . . . . 0.0 111.283 -171.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.73 -173.59 34.44 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.242 0.449 . . . . 0.0 113.511 171.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -127.5 153.3 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.651 0.781 . . . . 0.0 111.873 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 72.4 m -139.42 89.92 2.37 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.066 1.346 . . . . 0.0 109.173 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.46 -107.61 2.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.86 -20.35 19.51 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.298 0.549 . . . . 0.0 111.941 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -73.59 142.63 46.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 110.171 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -133.14 114.46 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.15 129.18 35.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.972 0.909 . . . . 0.0 109.476 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.67 143.0 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.057 0.943 . . . . 0.0 110.038 -168.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.22 137.88 14.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 173.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -126.63 133.74 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.999 0.92 . . . . 0.0 109.464 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -127.49 105.94 8.85 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.192 0.997 . . . . 0.0 109.29 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 157.87 76.99 Favored Pre-proline 0 N--CA 1.453 -0.283 0 C-N-CA 123.917 0.887 . . . . 0.0 111.203 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.94 160.42 41.4 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.918 2.412 . . . . 0.0 112.211 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.6 -13.94 37.23 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -13.94 61.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.15 1.38 . . . . 0.0 112.496 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 m -127.3 163.76 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.105 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.42 163.2 12.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 111.468 172.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.99 126.31 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.5 0.72 . . . . 0.0 110.094 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -153.42 176.57 11.86 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.042 0.937 . . . . 0.0 110.505 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.46 163.57 25.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.859 -0.526 . . . . 0.0 109.77 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.59 -29.72 69.37 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.15 -47.7 77.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.705 0.802 . . . . 0.0 111.43 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -87.61 -30.04 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.615 0.766 . . . . 0.0 110.309 -170.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -50.28 -36.83 33.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.474 1.11 . . . . 0.0 112.864 175.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -60.46 -22.01 62.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.893 0.877 . . . . 0.0 112.405 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.96 -22.83 52.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.546 0.739 . . . . 0.0 110.783 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.454 -0.268 0 C-N-CA 124.815 1.246 . . . . 0.0 109.956 -177.081 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 116.11 28.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.536 0.734 . . . . 0.0 109.78 -177.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -100.15 138.87 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.692 0.797 . . . . 0.0 110.45 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt -136.4 163.23 30.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.58 1.152 . . . . 0.0 109.287 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -126.8 100.92 6.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -106.14 135.5 47.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.064 0.546 . . . . 0.0 110.661 -174.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -92.57 156.56 17.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.428 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 33.1 m -62.47 135.08 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.567 -170.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.03 -1.18 67.48 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.326 0.965 . . . . 0.0 114.363 -172.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -96.79 171.35 8.57 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.971 1.386 . . . . 0.0 111.833 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 159.69 41.64 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.44 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.3 mm -131.52 156.17 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 126.878 2.071 . . . . 0.0 108.153 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -128.95 143.97 51.04 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.826 1.251 . . . . 0.0 109.807 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.0 132.81 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.787 0.835 . . . . 0.0 109.313 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 -129.79 40.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.94 4.94 4.94 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 172.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -135.4 -7.56 2.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -118.24 139.82 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.165 0.986 . . . . 0.0 110.398 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.1 m -138.88 145.62 40.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.957 0.903 . . . . 0.0 109.595 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -126.61 143.6 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.09 1.356 . . . . 0.0 108.352 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -138.92 133.12 31.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.392 0.677 . . . . 0.0 109.95 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.04 109.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 171.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.96 -31.76 45.12 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.051 -0.405 . . . . 0.0 110.114 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.6 -176.97 34.61 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 165.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.8 m -87.56 155.94 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.953 0.901 . . . . 0.0 112.037 -171.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -143.31 60.89 1.4 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.82 1.248 . . . . 0.0 110.0 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.59 -121.94 18.8 Favored Glycine 0 CA--C 1.526 0.78 0 O-C-N 121.606 -0.683 . . . . 0.0 111.417 -173.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -77.56 -4.57 46.44 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.535 0.734 . . . . 0.0 111.98 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -98.86 160.97 13.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.986 0.898 . . . . 0.0 111.354 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.94 129.61 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 125.553 1.541 . . . . 0.0 108.024 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.6 mtm-85 -104.33 101.95 11.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.98 0.512 . . . . 0.0 110.031 -175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.1 mt -106.75 135.71 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.402 1.481 . . . . 0.0 109.455 -173.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.52 141.19 16.01 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.108 0.861 . . . . 0.0 111.444 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.37 137.33 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.521 1.528 . . . . 0.0 108.15 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -128.52 74.88 1.59 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.597 1.159 . . . . 0.0 109.144 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.42 154.78 47.66 Favored Pre-proline 0 N--CA 1.453 -0.282 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.993 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 157.46 45.22 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.701 2.268 . . . . 0.0 110.461 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -69.46 -1.06 7.51 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.88 -30.02 70.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.071 0.948 . . . . 0.0 111.22 168.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -120.43 144.08 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.819 0.848 . . . . 0.0 111.206 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.57 142.95 27.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.513 0.725 . . . . 0.0 110.745 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.61 124.37 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 122.972 0.509 . . . . 0.0 110.246 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -153.8 161.09 42.36 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 109.785 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -86.05 166.51 15.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.006 -0.434 . . . . 0.0 111.983 171.684 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -68.72 -26.44 65.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.024 0.53 . . . . 0.0 112.191 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.96 -22.27 62.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.632 1.173 . . . . 0.0 112.548 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.7 -25.69 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.421 1.088 . . . . 0.0 111.235 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.78 -31.12 72.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.425 -0.797 . . . . 0.0 110.538 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.94 -11.43 60.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.894 0.878 . . . . 0.0 112.142 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.08 -30.63 25.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.688 1.195 . . . . 0.0 110.972 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.2 mt -69.54 -49.81 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.876 0.871 . . . . 0.0 109.197 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 124.862 1.265 . . . . 0.0 112.129 -178.033 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.4 tpp . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 119.727 -0.178 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.61 123.48 49.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.01 1.324 . . . . 0.0 107.508 168.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.03 142.2 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -165.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -138.22 142.07 39.97 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.212 1.405 . . . . 0.0 110.946 -176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 90.5 m -122.14 101.97 7.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -128.21 162.3 27.3 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.196 0.998 . . . . 0.0 110.572 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -94.87 168.72 10.62 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.225 0.536 . . . . 0.0 112.443 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -62.41 137.98 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.289 0.566 . . . . 0.0 110.997 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.27 -2.02 83.0 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.098 -0.835 . . . . 0.0 114.294 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.56 159.85 22.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.01 1.405 . . . . 0.0 112.096 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -127.87 148.63 50.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 111.132 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 25.8 mt -138.98 158.63 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.144 1.377 . . . . 0.0 109.422 -173.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -137.83 145.95 42.89 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.138 -170.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -136.2 131.23 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.41 1.084 . . . . 0.0 109.583 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.94 -134.99 52.2 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -126.71 5.04 6.71 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.571 0.749 . . . . 0.0 112.278 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -118.57 -11.97 9.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.897 0.879 . . . . 0.0 112.874 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.55 135.7 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 119.0 0.818 . . . . 0.0 111.236 -172.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -130.47 148.69 52.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.912 1.285 . . . . 0.0 109.556 171.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -127.56 147.22 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 126.203 1.801 . . . . 0.0 108.225 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -141.23 131.01 24.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.815 0.446 . . . . 0.0 109.841 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -85.09 104.85 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 170.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -73.29 -32.49 64.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.983 -0.448 . . . . 0.0 111.009 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.78 176.12 31.5 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 146.13 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.9 t -123.05 65.85 0.98 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.599 1.56 . . . . 0.0 107.531 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.61 -119.71 5.18 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.78 -171.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.62 6.79 47.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.214 0.605 . . . . 0.0 111.095 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.92 159.13 15.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.228 1.011 . . . . 0.0 109.269 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.1 t -140.05 116.56 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.825 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.91 116.89 23.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.532 1.133 . . . . 0.0 109.724 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.97 133.46 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.463 1.105 . . . . 0.0 109.694 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.99 141.54 15.49 Favored Glycine 0 C--N 1.334 0.466 0 C-N-CA 123.651 0.644 . . . . 0.0 111.895 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.5 mt -126.28 133.24 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.163 0.985 . . . . 0.0 108.965 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -132.84 80.94 1.92 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.544 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.12 74.67 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.78 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -59.39 158.88 25.13 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.054 1.836 . . . . 0.0 111.704 169.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -72.81 -0.73 14.18 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.697 0.799 . . . . 0.0 112.332 169.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.0 -17.7 64.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.362 1.465 . . . . 0.0 111.9 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -122.34 144.21 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.638 1.175 . . . . 0.0 110.481 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.536 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -87.36 142.98 27.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.381 0.61 . . . . 0.0 111.927 171.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -144.92 98.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.852 -166.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.536 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.2 OUTLIER -147.65 165.37 30.65 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.879 0.872 . . . . 0.0 111.705 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.44 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 28.5 ptt-85 -68.48 157.02 36.79 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.085 0.554 . . . . 0.0 111.821 170.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.35 -44.01 68.19 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.607 0.763 . . . . 0.0 112.644 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.92 -6.31 26.64 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -102.38 -49.48 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.662 1.185 . . . . 0.0 110.173 171.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -51.02 -36.98 42.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 112.007 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.86 -20.86 63.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -81.33 -37.84 27.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 119.056 0.844 . . . . 0.0 110.681 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.8 -39.48 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -79.2 5.01 13.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.99 -8.87 59.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.421 0.688 . . . . 0.0 112.798 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.93 41.07 0.25 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.464 -0.631 . . . . 0.0 114.448 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -167.02 -172.99 2.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.968 0.884 . . . . 0.0 113.167 -167.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.8 m -130.34 170.95 13.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.574 1.55 . . . . 0.0 108.47 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.98 119.7 0.69 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 125.215 1.406 . . . . 0.0 111.709 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -65.67 178.78 2.02 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.479 2.119 . . . . 0.0 113.965 -169.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 123.751 0.82 . . . . 0.0 112.544 175.208 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpp . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.36 104.23 13.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 120.253 1.388 . . . . 0.0 108.586 174.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.5 136.77 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.011 0.924 . . . . 0.0 110.023 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -134.37 134.99 42.35 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.848 1.259 . . . . 0.0 109.912 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -88.69 136.31 33.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.171 -0.331 . . . . 0.0 110.342 169.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -133.09 137.59 46.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.329 0.652 . . . . 0.0 110.535 169.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -95.31 151.84 18.9 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.063 0.945 . . . . 0.0 108.582 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -54.91 135.1 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 119.136 0.88 . . . . 0.0 113.31 -168.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.76 -5.37 83.56 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.275 1.416 . . . . 0.0 114.082 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -85.09 169.61 13.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.312 1.556 . . . . 0.0 112.17 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -136.07 161.27 36.17 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -169.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mt -138.14 153.12 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 C-N-CA 126.422 1.889 . . . . 0.0 109.43 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -119.39 144.56 46.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.619 1.167 . . . . 0.0 111.881 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.3 mm -132.37 135.79 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.886 1.274 . . . . 0.0 108.859 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.23 -133.23 45.83 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -169.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -128.44 10.03 6.14 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.723 0.809 . . . . 0.0 111.417 169.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.39 -5.64 4.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.502 1.121 . . . . 0.0 112.602 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.61 144.56 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.772 0.829 . . . . 0.0 110.653 -173.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -136.71 149.69 48.03 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.459 1.103 . . . . 0.0 110.037 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -129.4 145.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.775 1.63 . . . . 0.0 108.503 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.5 m -137.66 132.47 33.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.165 0.439 . . . . 0.0 111.236 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.73 109.47 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 167.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.57 -34.64 23.17 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.925 -0.484 . . . . 0.0 109.742 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.02 -173.02 43.5 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 116.908 -0.133 . . . . 0.0 113.006 169.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.59 153.98 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.279 0.632 . . . . 0.0 110.665 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -142.11 93.26 2.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.472 1.109 . . . . 0.0 108.507 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -123.79 14.19 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -168.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.76 -3.41 52.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.998 0.919 . . . . 0.0 112.006 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -82.58 156.29 24.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.497 0.719 . . . . 0.0 110.851 174.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -134.41 117.18 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -78.04 114.35 16.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt -116.13 126.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.735 1.214 . . . . 0.0 109.496 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.73 142.76 18.0 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 125.189 1.376 . . . . 0.0 111.517 170.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' D' ' 1' ' ' MET . 62.5 mt -130.07 133.84 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -135.9 91.64 2.72 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.949 0.5 . . . . 0.0 109.898 -173.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 154.3 81.76 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 109.995 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.98 151.6 83.77 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.609 2.206 . . . . 0.0 110.903 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -67.26 -0.99 3.92 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.453 0.701 . . . . 0.0 112.359 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -21.65 66.46 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.751 1.221 . . . . 0.0 111.314 168.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 m -127.35 154.82 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.505 1.122 . . . . 0.0 110.817 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.27 153.4 20.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.65 0.38 . . . . 0.0 111.881 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.34 131.32 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.379 0.672 . . . . 0.0 109.649 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -152.4 167.4 28.85 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.586 0.754 . . . . 0.0 110.925 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -87.5 162.86 17.0 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.53 -35.53 76.23 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.074 0.55 . . . . 0.0 111.73 -169.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.26 -14.99 61.0 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.02 -35.01 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.876 0.871 . . . . 0.0 110.868 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.23 -33.78 54.32 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.797 1.239 . . . . 0.0 112.235 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -60.96 -26.14 67.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.674 0.789 . . . . 0.0 112.571 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.86 -37.03 75.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.76 . . . . 0.0 111.799 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.309 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' MET . . . . . 0.493 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 52.9 mmm . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.07 110.62 9.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 107.103 166.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.0 141.38 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.946 1.298 . . . . 0.0 109.91 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -139.64 167.16 22.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.833 1.253 . . . . 0.0 111.804 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.34 117.21 29.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.127 0.971 . . . . 0.0 109.302 165.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.92 140.44 49.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.325 0.65 . . . . 0.0 110.279 167.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -80.48 164.09 23.27 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 168.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 m -49.96 137.59 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.31 168.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.7 0.76 85.86 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 119.132 -0.816 . . . . 0.0 114.342 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.77 173.13 6.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.65 1.225 . . . . 0.0 112.024 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -137.01 156.03 48.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -137.08 156.3 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 127.681 2.392 . . . . 0.0 108.676 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -134.33 147.31 50.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.302 1.041 . . . . 0.0 111.839 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -135.06 138.59 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.515 1.126 . . . . 0.0 109.061 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.31 -134.49 52.3 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -130.05 9.98 5.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.029 0.932 . . . . 0.0 112.612 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -131.19 -6.64 3.85 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.29 136.74 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 119.036 0.835 . . . . 0.0 110.631 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -134.89 148.04 50.0 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.809 1.243 . . . . 0.0 109.668 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -130.43 141.02 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.528 1.531 . . . . 0.0 107.876 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -137.15 124.84 22.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.166 0.586 . . . . 0.0 109.608 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.4 111.32 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 57.1 mt -82.18 -29.88 31.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.474 0.709 . . . . 0.0 110.771 -171.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -178.77 41.67 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-O 120.986 0.215 . . . . 0.0 112.867 168.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.04 135.12 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.509 1.124 . . . . 0.0 109.827 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 54.6 m -132.6 71.07 1.46 Allowed 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.955 1.302 . . . . 0.0 109.956 -169.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.57 -117.51 4.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.35 -19.41 31.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.457 1.103 . . . . 0.0 110.551 172.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -77.38 150.3 35.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.665 0.786 . . . . 0.0 111.168 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -133.22 121.11 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -95.98 109.83 22.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.653 0.781 . . . . 0.0 109.01 -175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -116.07 128.53 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.626 0.771 . . . . 0.0 110.057 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.32 138.5 14.14 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.22 0.914 . . . . 0.0 111.012 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 141.7 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -138.03 103.46 4.97 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.433 0.693 . . . . 0.0 109.615 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.72 156.91 75.87 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.111 0.964 . . . . 0.0 109.617 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.72 152.87 78.54 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.268 1.979 . . . . 0.0 110.726 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.56 -0.95 9.58 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.14 -19.05 64.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.785 1.234 . . . . 0.0 111.485 168.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.1 160.02 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.664 1.185 . . . . 0.0 110.218 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.26 157.04 17.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.85 125.87 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.107 0.563 . . . . 0.0 110.126 170.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -147.01 159.92 43.0 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.592 0.757 . . . . 0.0 110.482 171.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -69.32 160.53 31.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.974 -0.454 . . . . 0.0 110.592 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.14 -32.7 71.27 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.749 0.704 . . . . 0.0 112.736 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -77.76 -26.32 49.76 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.434 -0.791 . . . . 0.0 112.917 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 mm -82.52 -39.17 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.474 0.709 . . . . 0.0 110.205 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.33 -37.96 68.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.36 1.464 . . . . 0.0 111.767 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.24 -20.9 60.88 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.054 0.942 . . . . 0.0 112.879 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.24 -36.16 35.06 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.058 0.845 . . . . 0.0 111.349 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.456 -0.134 0 CA-C-N 118.81 0.732 . . . . 0.0 110.304 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -128.74 127.0 41.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.458 1.026 . . . . 0.0 110.757 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.83 142.17 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.619 1.168 . . . . 0.0 109.921 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.43 164.3 28.48 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.702 1.601 . . . . 0.0 110.735 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -138.0 97.23 3.36 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.012 0.525 . . . . 0.0 109.706 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.39 142.59 44.74 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.805 1.242 . . . . 0.0 111.635 -171.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -80.92 166.8 20.54 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.583 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.14 141.72 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 O-C-N 122.052 -0.405 . . . . 0.0 111.574 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 0.01 88.86 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 123.673 0.654 . . . . 0.0 113.764 -175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.89 173.87 8.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.561 1.18 . . . . 0.0 111.92 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -139.99 159.75 41.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.485 0.714 . . . . 0.0 112.014 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -151.25 154.39 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 126.756 2.022 . . . . 0.0 108.469 -168.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.97 149.77 49.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.6 mt -137.17 139.29 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.78 1.232 . . . . 0.0 109.179 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.53 -137.13 50.11 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -129.48 10.08 5.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.104 0.962 . . . . 0.0 112.144 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -131.14 -5.05 3.88 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.03 135.89 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 119.375 0.989 . . . . 0.0 110.823 -174.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 44.3 m -129.48 144.41 51.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.439 1.095 . . . . 0.0 110.078 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -126.89 138.18 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.025 1.33 . . . . 0.0 108.678 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -132.5 134.11 44.61 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.453 0.701 . . . . 0.0 110.037 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -89.11 108.83 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.02 -29.26 58.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 110.96 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -170.33 33.34 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.736 0.684 . . . . 0.0 112.902 170.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.06 158.84 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.491 0.646 . . . . 0.0 112.212 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.5 p -149.13 97.03 2.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.802 1.241 . . . . 0.0 109.22 169.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.41 -122.32 17.66 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -89.07 -17.2 29.79 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.18 0.49 . . . . 0.0 112.02 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.88 141.76 51.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.61 0.764 . . . . 0.0 109.177 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -134.16 115.46 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -85.44 122.57 29.77 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.69 135.49 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.733 0.813 . . . . 0.0 110.288 -168.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.53 143.28 15.65 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.449 1.023 . . . . 0.0 111.607 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.96 136.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.064 1.346 . . . . 0.0 109.077 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -136.9 99.01 3.91 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.779 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.31 155.28 78.84 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.657 1.183 . . . . 0.0 110.52 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.6 158.47 36.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.86 2.373 . . . . 0.0 112.057 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -73.21 -0.96 15.84 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.378 0.671 . . . . 0.0 112.744 173.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.62 -17.94 64.21 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.097 1.359 . . . . 0.0 112.34 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.55 162.45 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.066 0.947 . . . . 0.0 110.862 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.87 156.39 16.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -155.05 125.58 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.308 0.643 . . . . 0.0 110.466 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -150.35 168.16 24.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.227 1.011 . . . . 0.0 110.048 174.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 ptt85 -78.81 165.25 23.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.732 -0.605 . . . . 0.0 110.364 170.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.16 -25.47 65.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.933 0.493 . . . . 0.0 112.056 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -65.89 -45.1 83.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.038 0.935 . . . . 0.0 112.343 175.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -85.29 -30.34 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.3 0.64 . . . . 0.0 110.336 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.36 -32.52 57.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.128 0.971 . . . . 0.0 112.374 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.88 -23.86 61.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.422 0.689 . . . . 0.0 112.699 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -72.2 -22.97 61.19 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 123.272 0.629 . . . . 0.0 110.84 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -96.09 -46.49 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 124.006 0.922 . . . . 0.0 109.66 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 174.583 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.74 149.09 24.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.885 0.474 . . . . 0.0 111.67 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.27 139.61 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.919 0.888 . . . . 0.0 109.048 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.4 164.78 27.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.786 1.235 . . . . 0.0 110.115 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.76 97.44 4.83 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 169.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.02 137.93 42.02 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.788 1.635 . . . . 0.0 109.677 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -102.55 167.38 9.96 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 120.176 1.353 . . . . 0.0 113.645 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -55.98 135.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.526 -171.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -0.58 78.35 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.135 0.874 . . . . 0.0 114.141 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -98.91 170.52 8.68 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.524 1.162 . . . . 0.0 111.246 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -136.06 158.22 44.93 Favored 'General case' 0 C--N 1.338 0.077 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -169.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 66.0 mt -138.03 158.06 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 126.421 1.888 . . . . 0.0 108.587 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -131.54 147.48 52.54 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.109 0.964 . . . . 0.0 111.967 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -135.81 140.61 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.358 1.063 . . . . 0.0 109.059 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 -135.74 51.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.74 10.0 5.51 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.965 0.906 . . . . 0.0 112.341 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -130.85 -12.6 3.72 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.02 136.22 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.064 0.847 . . . . 0.0 110.743 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 56.7 m -129.72 144.37 51.26 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.58 1.152 . . . . 0.0 110.145 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -124.74 141.97 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.688 1.595 . . . . 0.0 108.394 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -139.08 132.63 30.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.034 0.534 . . . . 0.0 110.192 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -87.27 109.42 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -81.13 -28.5 35.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.432 0.693 . . . . 0.0 111.429 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.43 -172.69 35.43 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.594 0.616 . . . . 0.0 112.727 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.85 153.06 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.118 0.567 . . . . 0.0 111.41 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -140.46 89.89 2.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.66 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.53 -126.46 30.28 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -171.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.02 -17.94 54.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 173.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.74 146.42 44.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.518 0.675 . . . . 0.0 110.758 173.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.09 120.58 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -90.44 125.44 35.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.99 0.916 . . . . 0.0 108.87 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.48 144.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.609 0.764 . . . . 0.0 110.522 -167.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.55 141.17 14.39 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.357 0.979 . . . . 0.0 111.352 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.7 137.71 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.695 1.198 . . . . 0.0 109.65 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.4 108.35 10.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.745 1.218 . . . . 0.0 109.118 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.33 158.84 74.72 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.878 0.871 . . . . 0.0 111.303 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 160.87 32.74 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 122.68 2.253 . . . . 0.0 112.13 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.4 -12.7 45.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -72.44 -12.74 61.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.175 1.39 . . . . 0.0 112.529 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m -130.4 167.33 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 124.117 0.967 . . . . 0.0 111.033 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.78 162.91 13.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.892 0.877 . . . . 0.0 111.262 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.13 126.32 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.337 0.655 . . . . 0.0 110.623 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -153.15 173.26 15.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.269 1.028 . . . . 0.0 109.993 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -71.65 157.3 38.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 167.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.45 -16.38 62.33 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.16 -47.29 85.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.698 0.799 . . . . 0.0 111.457 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -82.48 -28.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.898 0.479 . . . . 0.0 110.222 -173.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.46 -33.26 65.74 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.61 0.764 . . . . 0.0 112.441 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.33 -23.17 61.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.262 0.625 . . . . 0.0 112.514 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.81 -22.93 58.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.307 0.643 . . . . 0.0 110.974 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.453 -0.324 0 C-N-CA 123.909 0.884 . . . . 0.0 110.334 -169.289 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.63 114.15 25.78 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.442 0.697 . . . . 0.0 109.813 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.14 136.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.527 0.731 . . . . 0.0 109.261 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.4 mt -132.04 159.35 39.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.137 0.975 . . . . 0.0 109.57 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.4 m -120.1 100.89 7.47 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.83 133.78 54.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.387 0.675 . . . . 0.0 110.736 -168.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -98.01 155.69 16.99 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -48.4 126.64 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.53 0.732 . . . . 0.0 110.815 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.96 -1.86 74.98 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.563 1.078 . . . . 0.0 114.232 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -98.33 168.97 9.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.75 1.275 . . . . 0.0 111.328 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -134.12 151.44 51.37 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -168.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.7 mm -112.74 156.7 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 126.092 1.757 . . . . 0.0 109.772 170.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -129.86 141.28 50.84 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.501 1.121 . . . . 0.0 110.579 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -135.27 131.11 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.384 1.074 . . . . 0.0 109.582 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.08 -128.28 25.4 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -128.75 1.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.986 0.914 . . . . 0.0 111.852 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -147.14 -3.56 0.57 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.61 135.31 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 119.351 0.978 . . . . 0.0 110.589 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -130.76 145.31 51.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.903 0.881 . . . . 0.0 109.629 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -126.89 144.25 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.896 1.278 . . . . 0.0 108.448 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.3 m -137.26 134.57 36.31 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.568 0.622 . . . . 0.0 110.638 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.97 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.06 -28.96 67.0 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.95 -0.469 . . . . 0.0 110.145 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.39 -167.93 40.2 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 117.753 0.251 . . . . 0.0 113.094 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 155.0 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.764 0.826 . . . . 0.0 111.235 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -130.45 60.97 1.61 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 110.29 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 -124.0 6.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -171.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -76.4 4.11 9.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.731 0.812 . . . . 0.0 111.659 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -98.91 163.38 12.62 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.214 1.006 . . . . 0.0 112.391 171.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.76 129.45 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.91 1.684 . . . . 0.0 108.556 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -111.14 101.93 10.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.112 0.965 . . . . 0.0 110.188 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.96 128.38 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.402 1.481 . . . . 0.0 109.459 -172.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.62 140.72 15.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 169.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -115.09 134.14 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.343 1.457 . . . . 0.0 108.32 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -124.85 74.89 1.38 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.384 1.074 . . . . 0.0 108.953 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.15 154.67 41.93 Favored Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 125.235 1.414 . . . . 0.0 110.625 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.08 157.01 47.04 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.716 2.277 . . . . 0.0 110.535 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -70.2 -1.8 11.28 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.35 -22.62 61.88 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.967 0.907 . . . . 0.0 111.881 169.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.5 144.09 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.885 0.85 . . . . 0.0 111.67 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 142.89 27.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.837 0.855 . . . . 0.0 110.762 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -133.78 127.59 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.974 0.509 . . . . 0.0 110.521 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -153.47 166.45 32.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.022 0.929 . . . . 0.0 110.061 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -97.47 163.55 12.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 170.422 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.16 -32.46 71.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.083 0.953 . . . . 0.0 112.287 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.71 -13.91 60.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.161 0.984 . . . . 0.0 112.734 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.77 -26.99 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.977 1.311 . . . . 0.0 111.215 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.0 -30.95 71.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.282 -0.886 . . . . 0.0 110.582 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.06 -16.71 61.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.915 0.886 . . . . 0.0 111.898 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -78.55 -30.17 46.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.198 0.999 . . . . 0.0 111.255 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -71.92 -53.05 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.976 0.911 . . . . 0.0 109.404 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 123.917 0.887 . . . . 0.0 111.652 -175.92 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 119.498 -0.287 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.34 121.65 43.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 168.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.4 mt -117.11 141.11 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -165.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -135.16 137.86 43.13 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.866 1.266 . . . . 0.0 110.941 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 95.8 m -119.62 106.53 12.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 108.963 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -123.8 173.05 8.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.626 1.57 . . . . 0.0 109.421 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -110.35 171.64 7.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.526 0.603 . . . . 0.0 112.59 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -63.01 136.5 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 121.248 0.547 . . . . 0.0 110.959 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.45 78.47 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.252 -0.749 . . . . 0.0 114.173 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.39 162.64 14.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.648 1.224 . . . . 0.0 111.912 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -130.43 152.76 49.48 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.455 0.702 . . . . 0.0 112.789 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.0 mt -141.02 157.21 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.866 1.666 . . . . 0.0 109.919 -173.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.92 145.24 41.84 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.61 0.764 . . . . 0.0 112.307 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 128.63 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.47 1.108 . . . . 0.0 109.618 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.07 52.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -126.53 4.35 6.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.495 0.718 . . . . 0.0 112.311 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -115.68 -14.08 11.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.866 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.09 135.58 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.141 0.882 . . . . 0.0 111.272 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.1 m -130.81 147.15 52.43 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.914 1.286 . . . . 0.0 109.739 171.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -127.2 143.23 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.731 1.612 . . . . 0.0 108.4 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -138.47 130.75 28.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.752 0.421 . . . . 0.0 109.905 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.65 106.12 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.11 -31.63 58.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.169 -0.332 . . . . 0.0 110.811 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.62 178.88 35.92 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.6 155.12 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -132.14 74.68 1.6 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.651 1.18 . . . . 0.0 108.52 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.74 -120.48 6.03 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.96 6.33 48.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.349 0.66 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -98.84 154.33 18.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.938 0.895 . . . . 0.0 109.759 170.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 t -139.23 115.12 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -170.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.36 115.2 21.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.492 1.117 . . . . 0.0 109.912 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.03 130.22 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.508 1.123 . . . . 0.0 109.581 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.9 139.28 14.48 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.6 mt -124.84 131.41 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.864 0.866 . . . . 0.0 108.908 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -131.05 82.5 2.05 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.454 -168.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.35 157.3 76.64 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.841 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -60.47 157.14 37.74 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.682 1.588 . . . . 0.0 110.168 168.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.54 -0.78 18.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 122.164 0.983 . . . . 0.0 111.895 173.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.83 -16.84 64.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.928 1.691 . . . . 0.0 111.414 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -120.28 144.12 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.807 1.243 . . . . 0.0 109.644 174.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.515 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -87.31 142.64 27.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.406 0.622 . . . . 0.0 111.53 172.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 t -143.75 97.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.557 -166.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.515 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -145.82 165.5 28.69 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.213 1.005 . . . . 0.0 111.164 179.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 34.3 ptt-85 -70.39 160.62 31.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.387 0.275 . . . . 0.0 111.529 169.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -58.5 -40.13 81.99 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.851 -0.531 . . . . 0.0 112.331 -173.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.1 0.66 5.74 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -109.03 -50.69 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.426 1.09 . . . . 0.0 109.74 170.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -50.69 -37.25 40.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.009 1.324 . . . . 0.0 112.278 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.55 -19.61 63.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -175.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -82.68 -38.59 23.19 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.704 0.684 . . . . 0.0 110.842 169.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.07 -38.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.302 0.641 . . . . 0.0 109.371 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -79.07 5.11 12.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.8 -9.37 52.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.59 41.29 0.17 Allowed Glycine 0 C--N 1.339 0.712 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.823 169.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.74 -175.09 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.078 0.939 . . . . 0.0 112.993 -168.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 10.5 m -126.53 173.38 9.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.418 1.487 . . . . 0.0 108.318 167.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.86 124.39 0.67 Allowed Pre-proline 0 N--CA 1.454 -0.247 0 C-N-CA 124.761 1.224 . . . . 0.0 111.835 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -61.08 -178.76 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.693 2.929 . . . . 0.0 113.565 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 123.861 0.864 . . . . 0.0 112.909 -179.048 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.62 106.28 13.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 167.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.39 137.13 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 124.283 1.033 . . . . 0.0 109.743 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -133.11 140.06 47.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.613 1.165 . . . . 0.0 110.226 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -101.02 143.31 31.31 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -139.14 140.8 38.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.439 0.696 . . . . 0.0 110.271 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -76.13 157.24 33.03 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 168.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.2 134.68 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 O-C-N 121.375 -0.828 . . . . 0.0 111.538 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.5 -1.47 87.27 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.639 1.114 . . . . 0.0 113.854 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -86.26 173.17 9.93 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.211 1.506 . . . . 0.0 111.774 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -135.15 157.24 47.43 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -166.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -138.38 157.17 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 127.391 2.277 . . . . 0.0 109.074 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -130.92 146.65 52.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 125.209 1.404 . . . . 0.0 111.41 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -135.17 132.7 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.111 0.964 . . . . 0.0 109.814 174.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -134.44 51.32 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -130.07 10.12 5.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.006 0.922 . . . . 0.0 111.843 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -123.9 -9.9 7.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.432 1.093 . . . . 0.0 113.064 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.39 138.0 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.909 0.777 . . . . 0.0 110.909 -172.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 14.7 m -132.84 147.0 52.3 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.269 1.027 . . . . 0.0 109.656 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -129.22 140.74 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.094 1.358 . . . . 0.0 108.857 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -133.69 132.43 40.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.939 0.496 . . . . 0.0 110.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.69 112.51 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 169.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mt -84.67 -43.8 14.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.683 -0.636 . . . . 0.0 110.321 -170.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.05 -177.63 47.72 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.443 -0.408 . . . . 0.0 113.242 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.96 150.58 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 123.159 0.583 . . . . 0.0 111.079 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -140.53 106.64 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.83 1.252 . . . . 0.0 108.078 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -119.89 15.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -169.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -97.87 -7.29 30.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.789 0.835 . . . . 0.0 113.004 171.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -74.57 151.76 39.38 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.695 0.759 . . . . 0.0 110.926 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.64 114.36 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -77.82 112.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -117.14 132.44 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 125.141 1.376 . . . . 0.0 109.097 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.21 142.25 15.54 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 124.353 0.978 . . . . 0.0 112.253 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' D' ' 1' ' ' MET . 72.7 mt -126.2 126.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 108.862 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -120.29 101.58 7.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.402 0.681 . . . . 0.0 110.039 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.86 156.98 72.47 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.979 0.911 . . . . 0.0 110.665 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.83 153.97 72.47 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.105 2.537 . . . . 0.0 111.51 172.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -67.47 -0.69 3.95 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.71 -21.64 66.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.19 0.996 . . . . 0.0 111.258 168.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -126.25 147.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.449 1.099 . . . . 0.0 110.496 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.28 19.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.036 -0.415 . . . . 0.0 111.243 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -135.69 131.82 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.006 0.523 . . . . 0.0 109.79 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -153.34 157.13 39.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.532 0.733 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -66.26 152.9 43.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.22 -27.71 69.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.23 0.923 . . . . 0.0 111.629 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.76 -26.22 66.01 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.849 0.86 . . . . 0.0 113.217 173.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.55 -29.69 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.116 0.966 . . . . 0.0 110.638 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.14 -41.94 80.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.187 -0.946 . . . . 0.0 111.124 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.07 -25.54 67.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.319 0.648 . . . . 0.0 112.473 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.64 -38.68 62.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.567 0.747 . . . . 0.0 111.565 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.455 -0.176 0 CA-C-N 118.565 0.621 . . . . 0.0 110.395 172.847 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' MET . . . . . 0.456 ' HA ' ' O ' ' C' ' 34' ' ' ILE 0.292 4.0 tpp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -125.47 104.69 8.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.587 2.355 . . . . 0.0 107.905 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . 0.402 HD12 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -94.51 143.82 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.532 1.533 . . . . 0.0 110.268 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.72 164.44 29.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.707 1.603 . . . . 0.0 111.593 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.16 114.77 24.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.884 0.873 . . . . 0.0 108.857 165.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.67 144.08 46.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.599 0.36 . . . . 0.0 110.218 169.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -91.22 164.88 13.73 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 123.032 0.207 . . . . 0.0 111.125 173.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -55.51 140.86 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.067 0.46 . . . . 0.0 111.765 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 -1.16 89.06 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.134 0.873 . . . . 0.0 114.067 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -90.59 171.26 9.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.756 1.278 . . . . 0.0 112.494 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -137.08 161.01 37.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.717 0.807 . . . . 0.0 112.46 -169.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mt -152.41 157.83 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 C-N-CA 127.29 2.236 . . . . 0.0 108.635 -169.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -134.39 149.26 50.79 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.904 1.282 . . . . 0.0 111.485 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -134.22 137.55 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.168 1.387 . . . . 0.0 108.927 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -134.78 52.23 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -125.12 4.74 7.88 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.735 0.814 . . . . 0.0 112.053 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.78 -5.02 2.48 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -172.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.47 136.28 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 118.803 0.729 . . . . 0.0 110.427 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 28.9 m -129.75 143.17 50.69 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.531 1.133 . . . . 0.0 109.598 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 mm -126.48 140.33 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.65 1.18 . . . . 0.0 108.612 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -133.45 130.97 39.36 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.627 0.771 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.27 106.03 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.37 -30.56 47.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.366 0.667 . . . . 0.0 110.623 -171.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -179.23 40.13 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 112.616 -0.194 . . . . 0.0 112.616 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -108.03 159.8 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.027 0.442 . . . . 0.0 110.353 168.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -141.13 79.7 1.7 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.503 1.121 . . . . 0.0 108.581 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -111.76 3.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -96.78 -9.57 28.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.01 0.924 . . . . 0.0 110.934 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.76 153.52 24.08 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.813 0.816 . . . . 0.0 111.405 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.33 120.22 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -94.35 110.32 22.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.221 1.008 . . . . 0.0 108.732 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.28 127.25 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.79 0.836 . . . . 0.0 109.699 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.81 134.7 12.31 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.74 142.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.763 0.825 . . . . 0.0 108.883 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -138.03 106.44 5.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.462 0.705 . . . . 0.0 109.351 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.58 156.43 74.81 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 124.402 1.081 . . . . 0.0 109.623 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.25 151.38 82.6 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.242 1.961 . . . . 0.0 110.757 170.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -70.16 -1.04 8.96 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.9 -20.72 65.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.873 1.269 . . . . 0.0 111.467 168.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -127.02 160.02 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.633 1.173 . . . . 0.0 110.705 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.13 16.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.93 126.37 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 O-C-N 121.878 -0.514 . . . . 0.0 109.912 168.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -149.57 166.44 29.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.853 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.85 158.75 24.27 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.71 -34.74 73.3 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.914 0.779 . . . . 0.0 110.718 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -48.05 -39.8 21.1 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 125.335 1.454 . . . . 0.0 112.555 170.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -98.5 -36.06 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.775 1.23 . . . . 0.0 110.538 -169.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.76 -40.51 75.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.167 0.587 . . . . 0.0 110.638 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.1 -20.98 66.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.947 0.899 . . . . 0.0 112.664 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -83.8 -39.49 19.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.414 1.086 . . . . 0.0 112.039 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.099 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 119.421 -0.323 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.94 136.24 53.11 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.214 0.606 . . . . 0.0 110.566 176.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mm -115.66 125.21 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.484 1.114 . . . . 0.0 109.12 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.39 155.37 33.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.886 1.674 . . . . 0.0 110.097 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -136.12 112.12 9.62 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 165.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -132.53 141.28 48.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.464 1.106 . . . . 0.0 110.292 -170.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -89.38 172.05 9.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -60.7 139.27 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.016 0.436 . . . . 0.0 111.845 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.6 -3.01 87.4 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.155 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -83.96 171.69 12.77 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.9 1.35 . . . . 0.0 111.728 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.92 156.67 47.63 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.755 0.822 . . . . 0.0 112.219 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -141.95 156.39 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 125.998 1.719 . . . . 0.0 108.265 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -136.33 149.73 48.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.322 -0.861 . . . . 0.0 112.919 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.8 mt -136.84 141.03 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.668 1.187 . . . . 0.0 109.007 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -138.54 48.13 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -126.5 10.06 7.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.311 173.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -133.56 -5.39 2.9 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.84 135.77 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.375 0.988 . . . . 0.0 110.933 -173.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -128.3 146.4 50.77 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.38 1.072 . . . . 0.0 110.384 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -126.45 140.52 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.919 1.688 . . . . 0.0 108.22 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 42.1 m -136.6 132.28 34.9 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.133 0.573 . . . . 0.0 109.951 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -86.14 109.91 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.32 -28.26 47.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.921 0.489 . . . . 0.0 110.862 -175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.05 -172.89 33.39 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 123.405 0.526 . . . . 0.0 113.463 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -119.94 158.83 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 123.617 0.767 . . . . 0.0 112.05 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.1 p -148.47 89.98 1.75 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.94 1.296 . . . . 0.0 109.409 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.32 -112.04 3.97 Favored Glycine 0 CA--C 1.525 0.712 0 O-C-N 121.48 -0.763 . . . . 0.0 111.63 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -93.7 -19.25 21.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.676 0.738 . . . . 0.0 111.636 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.31 146.23 47.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.457 0.646 . . . . 0.0 110.197 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.63 115.23 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -85.96 124.26 32.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -131.0 135.88 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.609 0.764 . . . . 0.0 110.255 -168.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.09 146.15 16.03 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.675 1.131 . . . . 0.0 111.729 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.2 mt -136.59 134.89 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.211 1.404 . . . . 0.0 108.834 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -135.64 101.16 4.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.98 155.63 76.19 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.773 1.229 . . . . 0.0 110.407 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.92 158.53 42.62 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.934 2.422 . . . . 0.0 111.901 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -73.8 -0.95 17.35 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 172.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.82 -19.52 65.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.561 1.145 . . . . 0.0 111.702 168.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.48 161.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.352 1.061 . . . . 0.0 110.736 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.18 157.36 15.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.95 126.96 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 110.474 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -151.49 175.48 12.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.421 1.088 . . . . 0.0 110.212 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -72.9 162.91 28.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.882 -0.511 . . . . 0.0 110.218 169.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -63.84 -22.46 66.93 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.532 0.333 . . . . 0.0 111.526 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.24 -40.37 77.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.971 1.309 . . . . 0.0 111.417 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.05 -33.69 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.674 0.789 . . . . 0.0 110.218 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -53.91 -38.17 64.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.057 0.943 . . . . 0.0 112.288 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.11 -21.87 64.12 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.043 0.937 . . . . 0.0 112.892 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -83.74 -46.07 12.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.38 -22.97 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.828 0.851 . . . . 0.0 111.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 167.923 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 111.06 0.022 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -98.15 148.23 23.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 111.547 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.57 138.46 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.593 0.757 . . . . 0.0 109.417 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.57 165.02 26.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.872 1.269 . . . . 0.0 110.296 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.16 102.94 7.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 168.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . 0.417 ' CZ ' ' HA ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -108.3 134.82 50.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 125.387 1.475 . . . . 0.0 110.943 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.51 165.91 11.77 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 119.438 1.017 . . . . 0.0 113.571 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' F' ' 24' ' ' GLY . 9.1 m -57.36 136.27 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.508 -170.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.15 78.82 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.247 0.927 . . . . 0.0 113.795 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.6 168.33 9.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.667 1.233 . . . . 0.0 111.621 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.3 m -132.74 159.61 39.2 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 59.0 mt -138.56 159.06 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 127.24 2.216 . . . . 0.0 107.752 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -135.14 152.11 51.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.266 -0.896 . . . . 0.0 112.66 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.9 mt -137.12 143.51 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.694 1.198 . . . . 0.0 108.891 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.96 -136.36 51.3 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -125.63 10.04 7.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.283 1.033 . . . . 0.0 111.778 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.83 -9.69 1.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.21 136.25 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.019 0.827 . . . . 0.0 110.561 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -128.72 142.2 51.08 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.482 1.113 . . . . 0.0 110.229 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -124.07 142.94 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.613 1.565 . . . . 0.0 108.285 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 28.9 m -139.1 131.44 28.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.014 0.526 . . . . 0.0 110.084 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.9 115.69 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -88.55 -28.0 21.03 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 121.689 -0.632 . . . . 0.0 111.431 -171.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' F' ' 8' ' ' VAL . . . 157.78 -178.44 34.08 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 123.262 0.458 . . . . 0.0 113.251 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.9 157.34 35.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 CA-C-N 117.273 0.536 . . . . 0.0 112.136 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -150.04 100.75 2.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.565 1.146 . . . . 0.0 109.379 169.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.77 -108.01 2.36 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.871 -0.518 . . . . 0.0 111.888 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -101.24 -18.75 15.99 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.426 0.613 . . . . 0.0 111.84 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -72.16 144.12 48.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.561 0.696 . . . . 0.0 110.289 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.85 116.75 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -86.95 129.67 34.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.622 0.769 . . . . 0.0 109.299 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.61 146.82 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.576 1.15 . . . . 0.0 110.322 -167.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.91 140.91 15.53 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.467 1.032 . . . . 0.0 111.22 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.17 133.06 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.303 1.041 . . . . 0.0 109.238 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -134.98 105.79 6.53 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.307 0.643 . . . . 0.0 109.661 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.39 158.49 75.08 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.06 0.944 . . . . 0.0 111.448 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -64.99 162.37 32.82 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.031 2.487 . . . . 0.0 112.459 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.05 -4.67 26.21 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.493 0.717 . . . . 0.0 112.61 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.55 -18.12 63.63 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.867 1.267 . . . . 0.0 112.514 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.03 168.01 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.986 0.914 . . . . 0.0 111.275 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.57 162.59 12.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.628 0.771 . . . . 0.0 111.885 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.01 117.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.639 0.776 . . . . 0.0 110.561 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -154.46 173.58 16.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.91 0.884 . . . . 0.0 110.548 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -79.81 164.11 23.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.836 -0.54 . . . . 0.0 110.281 168.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.05 0.54 . . . . 0.0 112.366 -172.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.24 -45.56 90.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.018 0.927 . . . . 0.0 111.44 174.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.45 -28.72 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.616 0.766 . . . . 0.0 110.009 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.52 -37.69 58.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.868 0.867 . . . . 0.0 112.326 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -60.94 -25.26 66.67 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.666 1.186 . . . . 0.0 113.079 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -75.15 -22.43 58.14 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 127.122 2.169 . . . . 0.0 112.548 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 16.5 mt . . . . . 0 N--CA 1.455 -0.2 0 C-N-CA 124.625 1.17 . . . . 0.0 113.418 -168.698 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 119.16 -0.448 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.47 112.81 24.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.751 0.82 . . . . 0.0 109.781 -175.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.01 136.5 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.794 0.838 . . . . 0.0 109.484 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt -132.23 161.11 34.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.303 1.041 . . . . 0.0 110.101 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.0 m -124.64 100.93 6.87 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.131 0.972 . . . . 0.0 108.484 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -113.39 135.14 54.19 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.592 0.757 . . . . 0.0 109.999 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -98.43 159.08 15.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.298 0.499 . . . . 0.0 110.172 -176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.5 t -46.98 129.83 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.58 0.752 . . . . 0.0 111.044 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.13 3.94 67.19 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.034 0.826 . . . . 0.0 114.185 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -111.74 169.38 8.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.346 1.073 . . . . 0.0 111.097 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 m -134.6 152.97 52.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.481 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 8.0 mm -113.36 155.61 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 125.955 1.702 . . . . 0.0 110.058 169.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -129.25 138.56 51.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.258 1.023 . . . . 0.0 110.706 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -133.01 130.36 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.089 0.956 . . . . 0.0 109.675 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.59 -130.02 28.28 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.07 -2.61 7.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.926 0.89 . . . . 0.0 112.46 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.34 -21.47 2.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -169.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.18 137.48 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 118.817 0.735 . . . . 0.0 110.342 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -136.64 144.73 44.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.692 0.797 . . . . 0.0 109.396 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -127.63 140.12 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.419 1.087 . . . . 0.0 108.307 -176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -135.6 134.12 38.98 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.543 0.61 . . . . 0.0 110.402 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -84.78 97.42 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -23.91 61.6 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.94 -0.475 . . . . 0.0 110.351 -176.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.77 -173.33 42.74 Favored Glycine 0 C--N 1.339 0.699 0 CA-C-N 118.336 0.516 . . . . 0.0 113.785 168.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.67 157.99 43.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 123.866 0.866 . . . . 0.0 112.067 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -145.3 62.14 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.566 1.546 . . . . 0.0 110.033 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.88 -117.69 5.78 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.85 -15.0 62.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.271 0.628 . . . . 0.0 111.104 173.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -98.92 153.76 18.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.346 0.593 . . . . 0.0 111.957 -176.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -139.49 117.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.467 1.507 . . . . 0.0 109.053 -168.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.16 101.9 13.92 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 121.947 -0.471 . . . . 0.0 110.54 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.9 mt -109.41 132.11 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.721 1.208 . . . . 0.0 109.694 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 137.03 13.51 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.931 0.776 . . . . 0.0 111.327 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.0 mt -109.93 131.0 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.164 1.385 . . . . 0.0 108.47 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -118.8 74.92 0.99 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.644 1.177 . . . . 0.0 109.506 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.41 152.83 44.18 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.74 171.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.6 155.79 49.69 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.569 2.179 . . . . 0.0 110.555 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -69.58 -3.9 16.88 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.04 -23.82 64.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.773 0.829 . . . . 0.0 111.768 169.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -116.1 144.02 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 122.074 0.94 . . . . 0.0 111.688 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.11 142.63 32.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.0 0.92 . . . . 0.0 110.591 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 m -134.2 130.8 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.734 0.414 . . . . 0.0 110.295 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -151.95 160.63 43.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.585 0.754 . . . . 0.0 110.885 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 164.73 15.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.231 168.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.95 -26.87 66.17 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -167.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -75.75 -1.74 26.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.712 -0.617 . . . . 0.0 111.747 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.92 -33.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.121 0.968 . . . . 0.0 111.596 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -59.46 -33.35 71.18 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.37 0.986 . . . . 0.0 110.664 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.64 -13.5 59.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.516 0.726 . . . . 0.0 112.156 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -79.63 -34.04 40.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.77 0.828 . . . . 0.0 111.098 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.6 mt -65.48 -50.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 0.0 109.05 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 123.405 0.682 . . . . 0.0 112.108 -174.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.92 116.56 32.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.62 140.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.989 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt -135.61 136.11 40.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.383 1.073 . . . . 0.0 109.058 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.3 m -98.04 100.71 12.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.416 ' HE ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 tpm_? -95.95 172.99 7.66 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.604 1.561 . . . . 0.0 108.734 -168.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -127.27 160.69 30.54 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.425 1.011 . . . . 0.0 111.405 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -58.61 129.47 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 121.59 0.709 . . . . 0.0 111.307 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.28 -7.28 66.46 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-N 115.054 -0.976 . . . . 0.0 114.508 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.416 ' CD ' ' HE ' ' B' ' 6' ' ' ARG . 29.9 mt-10 -79.86 166.08 22.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.81 1.305 . . . . 0.0 111.26 169.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -131.7 157.71 43.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.799 0.839 . . . . 0.0 112.114 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 mt -134.04 155.57 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 126.168 1.787 . . . . 0.0 108.712 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -138.31 140.25 39.47 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.689 0.795 . . . . 0.0 110.403 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.5 mt -134.16 127.99 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.162 0.985 . . . . 0.0 109.605 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -132.37 52.49 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.19 5.06 5.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.7 0.8 . . . . 0.0 112.917 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -116.98 -19.32 9.84 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.86 137.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 119.135 0.879 . . . . 0.0 111.345 -169.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.17 150.9 51.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.834 1.254 . . . . 0.0 109.763 169.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -130.59 144.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.177 1.791 . . . . 0.0 107.923 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -135.58 130.38 34.38 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.73 0.412 . . . . 0.0 110.009 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.29 92.21 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.11 -33.66 76.55 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.019 -0.425 . . . . 0.0 111.085 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.76 -178.42 39.24 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 112.338 -0.305 . . . . 0.0 112.338 171.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.22 146.96 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.114 0.483 . . . . 0.0 109.796 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -122.75 77.68 1.46 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 170.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -119.69 4.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.67 10.01 41.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.228 -0.572 . . . . 0.0 111.057 172.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.97 154.1 18.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.954 0.902 . . . . 0.0 109.966 170.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.12 113.65 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -170.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -86.03 118.34 25.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.861 1.264 . . . . 0.0 109.492 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -128.63 129.37 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.245 1.018 . . . . 0.0 109.533 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.09 137.92 13.78 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -120.93 129.97 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.909 0.861 . . . . 0.0 109.242 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -130.29 75.0 1.63 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.393 -168.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.22 157.99 54.24 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.679 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.1 157.29 40.09 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.06 1.84 . . . . 0.0 111.373 169.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -68.68 -0.83 5.73 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.19 0.996 . . . . 0.0 112.178 169.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.89 -28.49 68.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.512 1.525 . . . . 0.0 111.32 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.3 144.19 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.527 1.131 . . . . 0.0 109.997 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 142.17 29.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 111.258 169.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.52 98.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.639 -166.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.64 158.2 43.88 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.267 0.556 . . . . 0.0 111.845 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 4.9 ptt85 -64.66 154.52 36.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.339 0.656 . . . . 0.0 111.617 169.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -55.42 -41.77 73.24 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.25 0.62 . . . . 0.0 112.232 -171.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.86 -23.58 63.53 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -89.32 -50.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.175 0.99 . . . . 0.0 110.501 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.21 -35.98 39.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.857 1.263 . . . . 0.0 112.175 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.33 -22.61 62.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -77.76 -41.37 37.77 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 119.175 0.898 . . . . 0.0 109.957 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.41 -39.85 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.348 0.659 . . . . 0.0 109.314 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -80.59 4.74 17.54 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 174.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.07 -19.3 47.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.118 0.567 . . . . 0.0 111.539 168.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.33 48.55 0.09 OUTLIER Glycine 0 CA--C 1.526 0.724 0 C-N-CA 123.469 0.557 . . . . 0.0 113.851 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.8 -176.42 2.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.674 0.737 . . . . 0.0 112.518 -168.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.5 p -128.46 -178.23 4.49 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.157 1.383 . . . . 0.0 109.829 168.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.92 120.99 2.33 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -52.25 -46.54 32.1 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.757 2.971 . . . . 0.0 113.341 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.451 -0.421 0 C-N-CA 123.903 0.881 . . . . 0.0 110.408 -173.12 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.42 109.42 21.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -175.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.3 129.01 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.27 134.95 55.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.423 0.689 . . . . 0.0 109.257 168.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.4 p -87.0 143.64 27.25 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 168.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.11 133.02 20.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -77.45 150.14 35.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.619 1.168 . . . . 0.0 109.734 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.87 137.69 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 O-C-N 121.922 -0.486 . . . . 0.0 111.913 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.27 -4.03 76.8 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 124.539 1.066 . . . . 0.0 114.039 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -99.48 170.18 8.8 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.118 1.459 . . . . 0.0 112.35 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -124.2 159.29 30.45 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.44 154.74 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 127.592 2.357 . . . . 0.0 108.157 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -128.02 149.12 50.51 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.159 -0.963 . . . . 0.0 111.612 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.21 131.33 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.627 1.171 . . . . 0.0 109.295 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -137.62 49.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.46 9.97 7.25 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.392 170.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -121.29 -13.42 8.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.046 0.938 . . . . 0.0 113.301 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.27 133.21 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.824 0.738 . . . . 0.0 110.88 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -120.16 142.89 48.55 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.916 0.886 . . . . 0.0 109.758 172.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 mm -120.31 140.96 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.034 1.334 . . . . 0.0 108.38 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.98 129.27 25.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.723 -0.611 . . . . 0.0 110.74 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -83.23 104.77 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -83.89 -33.42 24.77 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.878 -0.513 . . . . 0.0 109.898 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.97 -170.86 42.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 113.758 0.263 . . . . 0.0 113.758 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.58 153.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.643 0.777 . . . . 0.0 110.807 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -140.79 97.45 3.2 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.562 1.145 . . . . 0.0 108.294 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.94 -119.14 12.63 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -169.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.4 -4.15 38.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.13 0.972 . . . . 0.0 112.327 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -81.66 152.89 26.9 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.158 0.504 . . . . 0.0 110.063 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -130.24 120.63 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -78.21 110.61 13.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mt -114.53 131.83 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.848 1.259 . . . . 0.0 109.386 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.88 141.48 15.23 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.645 1.116 . . . . 0.0 112.092 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 mt -133.65 119.89 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.964 1.306 . . . . 0.0 107.836 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -125.96 99.05 5.76 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.156 -0.34 . . . . 0.0 110.335 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.54 158.43 53.91 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.012 . . . . 0.0 110.638 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.65 152.38 78.3 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.007 2.471 . . . . 0.0 111.529 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.63 -0.88 2.28 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 172.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.07 -22.91 66.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.255 1.022 . . . . 0.0 111.342 169.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.47 144.21 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 110.172 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.612 0.365 . . . . 0.0 110.989 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 m -136.72 133.67 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.823 0.449 . . . . 0.0 110.012 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -156.26 163.4 39.6 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.437 0.695 . . . . 0.0 111.497 -174.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -80.01 162.67 24.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 165.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.58 -32.28 72.37 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.31 -46.53 85.97 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.704 0.802 . . . . 0.0 111.551 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -84.84 -31.78 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.061 0.544 . . . . 0.0 110.478 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.57 -39.74 61.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 112.281 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -58.52 -31.89 68.34 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.829 0.852 . . . . 0.0 112.284 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -70.23 -38.32 75.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.937 0.495 . . . . 0.0 111.486 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-N 118.583 0.629 . . . . 0.0 110.699 177.483 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttp . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.781 -0.152 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.95 120.56 38.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.19 1.796 . . . . 0.0 108.216 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.14 134.09 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.85 0.86 . . . . 0.0 109.467 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.34 163.04 29.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.009 1.324 . . . . 0.0 111.243 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 113.87 27.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 164.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.77 128.94 56.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.718 0.807 . . . . 0.0 109.723 175.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.28 156.69 33.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.723 0.692 . . . . 0.0 110.625 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.0 135.09 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.558 -0.747 . . . . 0.0 112.026 169.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 -3.23 76.17 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.398 0.999 . . . . 0.0 114.083 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -98.22 179.78 4.63 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.875 1.338 . . . . 0.0 111.928 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.6 m -136.19 155.52 50.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.553 0.741 . . . . 0.0 112.898 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mt -136.96 160.23 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 126.903 2.081 . . . . 0.0 108.7 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -136.98 149.74 47.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.853 0.861 . . . . 0.0 111.992 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -135.51 135.53 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.929 1.292 . . . . 0.0 109.042 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.31 -138.35 49.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.59 8.66 9.53 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.731 0.812 . . . . 0.0 111.794 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -129.86 -11.98 4.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.22 136.47 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.931 0.787 . . . . 0.0 110.747 -172.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -121.07 148.11 44.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.386 1.074 . . . . 0.0 109.987 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -128.31 143.3 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.913 1.685 . . . . 0.0 107.717 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -139.19 127.14 22.25 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 121.778 -0.576 . . . . 0.0 109.898 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -88.52 86.57 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.99 -34.68 78.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.899 -0.5 . . . . 0.0 111.73 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -170.37 42.92 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.941 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.54 131.4 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.515 1.126 . . . . 0.0 110.413 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -136.94 87.7 2.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.352 1.461 . . . . 0.0 108.959 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -122.64 14.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.93 -15.94 33.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 111.108 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.72 151.08 24.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.6 0.714 . . . . 0.0 112.013 176.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.87 126.52 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -169.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -84.27 116.9 23.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.867 0.467 . . . . 0.0 110.024 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -122.57 115.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.003 0.921 . . . . 0.0 109.333 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.69 143.44 22.45 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.941 1.258 . . . . 0.0 110.96 171.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.29 138.99 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -136.42 89.94 2.51 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.14 154.77 74.27 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 109.367 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.49 150.19 86.33 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.979 1.786 . . . . 0.0 110.559 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.88 -1.04 6.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.92 -22.93 65.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.824 1.25 . . . . 0.0 111.389 168.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.67 159.99 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.138 0.975 . . . . 0.0 110.708 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.09 157.04 16.62 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.331 0.652 . . . . 0.0 112.175 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.29 125.87 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.813 0.445 . . . . 0.0 110.056 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -152.78 167.07 30.23 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.615 0.766 . . . . 0.0 111.666 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 mpp_? -63.21 159.96 16.62 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 167.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -62.6 -33.27 74.66 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.569 -0.707 . . . . 0.0 111.499 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -52.08 -43.1 63.71 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.564 1.146 . . . . 0.0 111.871 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -89.86 -38.73 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 124.116 0.966 . . . . 0.0 111.029 -169.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -45.52 -39.76 7.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.805 1.242 . . . . 0.0 112.106 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -60.75 -27.89 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.791 1.236 . . . . 0.0 113.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.01 -47.39 37.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.83 0.741 . . . . 0.0 109.76 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 122.793 0.437 . . . . 0.0 110.317 179.485 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -80.9 111.0 16.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -172.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -115.01 126.27 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 108.99 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -146.55 165.11 30.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.284 1.033 . . . . 0.0 111.038 -173.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.58 129.06 52.61 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.824 0.45 . . . . 0.0 110.362 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -128.96 130.52 46.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.229 1.412 . . . . 0.0 110.82 -169.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -83.48 158.93 21.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.733 0.301 . . . . 0.0 111.496 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.71 136.3 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.54 83.57 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 124.002 0.81 . . . . 0.0 114.308 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -94.83 174.88 6.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.846 1.323 . . . . 0.0 111.525 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -137.82 158.77 43.66 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -139.04 156.07 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 126.911 2.084 . . . . 0.0 108.362 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.48 150.45 52.15 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.44 -0.787 . . . . 0.0 113.076 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.01 140.73 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.788 1.235 . . . . 0.0 108.9 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.91 -136.73 51.0 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -124.53 8.58 8.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.903 0.881 . . . . 0.0 111.514 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -135.76 -7.74 2.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -169.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.82 136.95 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 118.928 0.786 . . . . 0.0 110.81 -173.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.39 142.62 51.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.564 1.146 . . . . 0.0 110.015 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.4 136.83 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.394 1.477 . . . . 0.0 108.175 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -134.25 126.3 29.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.124 0.569 . . . . 0.0 109.686 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.07 101.19 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.96 -30.02 66.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.085 -0.384 . . . . 0.0 110.869 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.02 -171.38 34.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.338 0.494 . . . . 0.0 113.32 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -118.86 153.62 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.461 0.704 . . . . 0.0 112.041 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -142.24 89.87 2.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.956 1.302 . . . . 0.0 109.017 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.74 -126.43 37.15 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -171.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -76.2 -24.99 54.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.569 0.685 . . . . 0.0 112.353 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.65 144.76 52.82 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -135.1 118.51 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -88.85 118.61 28.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.12 129.29 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.661 0.784 . . . . 0.0 110.16 -169.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.85 141.68 15.65 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.352 0.977 . . . . 0.0 111.341 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.37 126.31 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.823 1.249 . . . . 0.0 108.651 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -127.97 99.25 5.43 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -172.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 154.85 81.14 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.557 1.143 . . . . 0.0 110.394 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.72 157.45 42.48 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.736 2.291 . . . . 0.0 112.049 172.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 -0.98 12.06 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.462 0.705 . . . . 0.0 112.589 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.72 -23.33 66.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.704 1.202 . . . . 0.0 111.833 169.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -121.86 158.62 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.001 0.92 . . . . 0.0 110.69 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.75 16.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.898 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.066 0.546 . . . . 0.0 110.251 169.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -151.48 170.15 20.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.086 0.954 . . . . 0.0 110.626 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.77 159.26 32.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.78 -23.71 67.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.765 0.317 . . . . 0.0 111.356 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -67.25 -40.16 86.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.97 1.308 . . . . 0.0 111.592 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.49 -33.47 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.484 0.714 . . . . 0.0 109.573 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . 0.406 ' HA ' ' CG1' ' E' ' 51' ' ' ILE . 62.3 t80 -52.44 -35.09 51.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.421 1.088 . . . . 0.0 112.515 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.35 -23.57 67.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.116 0.567 . . . . 0.0 112.32 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.84 -39.8 25.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.151 0.581 . . . . 0.0 110.407 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . 0.406 ' CG1' ' HA ' ' E' ' 48' ' ' TYR . 8.4 mm -52.68 -37.68 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.885 0.874 . . . . 0.0 111.193 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.793 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.87 148.35 22.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.823 0.449 . . . . 0.0 111.372 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.13 133.57 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 169.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.77 163.82 26.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.494 1.117 . . . . 0.0 109.862 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.54 98.51 5.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 169.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.98 132.95 50.57 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.368 1.467 . . . . 0.0 110.528 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -96.18 165.69 12.1 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 119.946 1.248 . . . . 0.0 113.444 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.84 135.0 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.439 -168.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.3 -2.94 75.4 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.399 1.0 . . . . 0.0 113.896 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -99.2 166.5 11.2 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.539 1.169 . . . . 0.0 111.407 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -129.32 158.44 39.09 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -137.3 156.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 126.922 2.089 . . . . 0.0 107.937 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.85 149.65 51.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.849 0.859 . . . . 0.0 112.08 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -135.08 138.64 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.553 1.141 . . . . 0.0 108.908 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.1 -134.91 52.24 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -172.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -127.02 10.05 6.9 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.313 1.045 . . . . 0.0 112.358 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.74 -18.41 3.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.1 136.89 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 119.162 0.892 . . . . 0.0 110.597 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.4 m -128.21 142.76 51.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.303 1.041 . . . . 0.0 110.374 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -123.07 142.34 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 108.157 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -136.45 129.35 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.823 0.449 . . . . 0.0 110.001 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.62 106.06 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.85 -31.07 56.59 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.736 -0.603 . . . . 0.0 111.005 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.31 -174.47 37.05 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 113.702 0.241 . . . . 0.0 113.702 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.97 155.82 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.62 0.768 . . . . 0.0 111.495 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -145.54 89.93 1.96 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.517 1.127 . . . . 0.0 108.808 169.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.03 -121.7 25.45 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -80.24 -20.41 44.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.48 145.11 37.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.652 0.781 . . . . 0.0 110.937 177.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.18 116.05 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -90.96 125.81 35.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.856 0.462 . . . . 0.0 110.123 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -131.61 143.51 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.367 1.067 . . . . 0.0 109.258 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.41 141.32 16.05 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 124.148 0.88 . . . . 0.0 111.472 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 30.9 mt -130.12 127.1 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.091 0.956 . . . . 0.0 110.056 -175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -122.05 108.02 12.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.497 1.119 . . . . 0.0 109.162 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.16 157.64 74.03 Favored Pre-proline 0 N--CA 1.453 -0.28 0 C-N-CA 123.588 0.755 . . . . 0.0 111.476 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -64.78 162.49 31.59 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 123.091 2.527 . . . . 0.0 112.315 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -69.55 -2.36 11.2 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.419 0.688 . . . . 0.0 112.335 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.41 -24.73 66.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.24 1.416 . . . . 0.0 112.307 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -125.72 163.22 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.971 0.908 . . . . 0.0 111.257 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.28 161.52 14.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.458 0.703 . . . . 0.0 111.311 169.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.06 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.15 0.58 . . . . 0.0 110.404 170.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -154.32 174.52 14.72 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.4 163.84 23.54 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.797 -0.564 . . . . 0.0 110.167 168.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -64.13 -24.39 67.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.18 -53.29 59.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.362 0.665 . . . . 0.0 110.781 171.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.84 -32.82 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 122.923 0.489 . . . . 0.0 109.707 -173.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.71 -32.77 53.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.505 0.722 . . . . 0.0 112.923 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -59.68 -21.76 61.02 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.121 1.368 . . . . 0.0 113.059 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -77.16 -46.31 23.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.967 0.507 . . . . 0.0 111.616 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.528 0.101 0 C-N-CA 125.959 1.704 . . . . 0.0 114.096 -167.579 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.86 118.93 37.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.702 0.801 . . . . 0.0 109.45 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.77 135.82 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.121 0.968 . . . . 0.0 110.4 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -134.73 153.95 51.79 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.685 1.194 . . . . 0.0 110.143 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 m -128.08 101.11 6.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.92 0.888 . . . . 0.0 109.788 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -128.7 155.55 44.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 122.01 -0.431 . . . . 0.0 111.78 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 161.91 13.8 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.285 -172.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -43.58 128.27 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.652 0.781 . . . . 0.0 110.787 169.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.06 -15.16 63.97 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.263 0.935 . . . . 0.0 113.843 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -86.31 170.77 11.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.785 1.293 . . . . 0.0 112.749 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.4 m -139.28 155.88 47.43 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 12.8 mm -126.09 157.84 35.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.496 1.918 . . . . 0.0 109.683 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -128.66 140.71 51.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.357 1.063 . . . . 0.0 111.438 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.58 131.48 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.413 1.085 . . . . 0.0 109.751 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.01 -130.96 33.35 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -125.78 1.82 7.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.872 0.869 . . . . 0.0 112.103 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.54 -17.12 1.52 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.06 134.09 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 119.027 0.83 . . . . 0.0 110.342 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -128.09 142.72 51.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.698 0.799 . . . . 0.0 109.694 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -120.73 143.81 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.739 1.216 . . . . 0.0 108.497 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.9 m -136.46 132.76 35.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.235 0.614 . . . . 0.0 110.064 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.52 96.52 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.91 -30.48 68.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.32 -171.18 44.1 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 117.712 0.233 . . . . 0.0 113.566 169.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.0 147.27 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.716 0.807 . . . . 0.0 111.144 -171.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.48 70.61 1.34 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.854 1.262 . . . . 0.0 109.976 -170.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.49 -124.57 10.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -80.15 -1.75 41.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.287 0.544 . . . . 0.0 112.259 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -98.91 155.49 17.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.837 0.827 . . . . 0.0 111.886 170.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -139.15 126.62 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 126.041 1.737 . . . . 0.0 108.31 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -104.34 101.82 11.51 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.48 0.712 . . . . 0.0 110.303 -175.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -107.86 130.74 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.224 1.409 . . . . 0.0 109.615 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.77 138.37 14.13 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.97 132.14 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.168 1.387 . . . . 0.0 108.47 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -121.02 75.05 1.12 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.512 1.125 . . . . 0.0 109.27 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.39 154.24 40.75 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 125.11 1.364 . . . . 0.0 110.663 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.19 154.09 56.83 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.564 2.176 . . . . 0.0 110.364 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -68.83 -4.78 17.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.8 -24.84 65.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.947 0.899 . . . . 0.0 111.99 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -117.71 144.09 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.98 0.895 . . . . 0.0 111.917 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.14 143.03 29.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.315 1.046 . . . . 0.0 110.874 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -133.62 125.49 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.921 0.488 . . . . 0.0 110.451 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -151.26 158.82 44.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -68.41 162.31 25.71 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.535 1.134 . . . . 0.0 110.414 169.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -59.58 -43.6 93.6 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.562 -0.711 . . . . 0.0 112.796 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 -79.73 1.7 25.57 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.17 -8.76 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.459 1.104 . . . . 0.0 110.687 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -80.07 -40.06 28.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.349 -1.47 . . . . 0.0 110.509 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -73.28 -23.38 60.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.792 0.437 . . . . 0.0 111.826 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -70.36 -26.77 63.89 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 173.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -80.08 -51.8 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.145 0.978 . . . . 0.0 109.568 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 123.518 0.727 . . . . 0.0 111.359 -178.133 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -114.21 123.38 49.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.602 168.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.5 mt -118.97 140.41 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -165.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -135.7 138.0 42.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.157 1.383 . . . . 0.0 110.66 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.4 m -115.5 106.31 13.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -126.34 156.34 40.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.373 1.069 . . . . 0.0 110.301 -169.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -96.74 168.15 10.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -62.72 133.12 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.244 0.545 . . . . 0.0 110.786 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.32 -2.48 78.35 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-O 119.094 -0.837 . . . . 0.0 114.526 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -87.76 162.36 17.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.051 1.425 . . . . 0.0 111.845 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -130.67 157.68 42.13 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.395 0.678 . . . . 0.0 112.498 -171.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -145.24 159.9 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 126.225 1.81 . . . . 0.0 108.403 -172.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -141.62 146.0 35.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.5 0.72 . . . . 0.0 111.865 -169.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.2 130.86 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.613 1.165 . . . . 0.0 109.587 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -133.96 50.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.03 5.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.817 0.847 . . . . 0.0 112.697 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -115.69 -18.79 10.76 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.14 135.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-N 119.016 0.825 . . . . 0.0 111.363 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -130.18 149.68 51.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.942 1.297 . . . . 0.0 109.877 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -129.18 143.71 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.066 1.746 . . . . 0.0 108.393 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.5 m -137.28 129.49 29.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.055 0.542 . . . . 0.0 109.939 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -80.78 104.45 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.74 -33.99 71.4 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.922 -0.486 . . . . 0.0 110.752 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.21 176.11 31.93 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.68 158.19 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.388 0.613 . . . . 0.0 110.389 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -135.65 75.95 1.59 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.66 1.184 . . . . 0.0 108.405 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.07 -122.6 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.44 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -99.78 11.44 39.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.052 -0.675 . . . . 0.0 111.541 171.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.1 158.41 15.69 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.939 0.896 . . . . 0.0 109.906 169.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -139.41 122.23 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.0 0.52 . . . . 0.0 110.282 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 119.57 31.42 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.305 1.442 . . . . 0.0 109.654 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.48 134.14 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.087 0.955 . . . . 0.0 110.142 -169.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.32 139.83 14.63 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 123.713 0.673 . . . . 0.0 111.961 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mt -124.57 131.01 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.093 0.957 . . . . 0.0 109.176 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -131.84 77.09 1.75 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.732 -167.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.59 157.18 57.38 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.284 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.14 155.05 41.78 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.705 1.603 . . . . 0.0 109.561 168.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -0.83 10.05 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.899 0.88 . . . . 0.0 111.106 175.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.78 -25.7 67.37 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.634 1.974 . . . . 0.0 111.528 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.7 144.15 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.73 1.212 . . . . 0.0 109.951 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.517 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -85.04 140.56 30.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.405 0.621 . . . . 0.0 111.849 172.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.6 t -144.83 99.32 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.276 -166.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.517 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.8 OUTLIER -145.7 168.17 21.35 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.154 0.982 . . . . 0.0 110.553 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.9 ptt-85 -71.18 158.5 36.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.199 -0.313 . . . . 0.0 111.483 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.39 -32.84 62.97 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.929 0.892 . . . . 0.0 112.532 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -53.77 -51.21 64.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.065 0.848 . . . . 0.0 110.565 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.72 -43.44 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.899 1.279 . . . . 0.0 110.081 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -48.5 -38.77 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.212 1.005 . . . . 0.0 112.015 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.86 -27.21 65.61 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.41 -39.07 33.33 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 119.008 0.822 . . . . 0.0 110.478 173.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.46 -42.55 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -77.58 5.0 9.95 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.65 -18.84 50.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.285 0.493 . . . . 0.0 111.837 169.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.35 44.73 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.494 -0.615 . . . . 0.0 114.397 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.04 -174.42 2.04 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.851 0.826 . . . . 0.0 112.596 -168.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -127.03 175.35 8.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.062 1.345 . . . . 0.0 109.636 167.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.19 122.35 1.29 Allowed Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 124.34 1.056 . . . . 0.0 111.39 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -58.49 168.77 3.65 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 123.268 2.645 . . . . 0.0 114.581 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 124.593 1.157 . . . . 0.0 113.391 -174.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.287 7.3 tpp . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.79 106.71 12.37 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.027 1.731 . . . . 0.0 106.527 166.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.16 133.73 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.539 0.736 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -128.88 144.54 51.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.444 1.097 . . . . 0.0 110.053 170.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -114.7 128.02 56.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.186 0.594 . . . . 0.0 110.864 173.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.595 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 32.6 mtp85 -140.7 150.85 43.98 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.412 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 2.7 tptm -75.39 160.41 30.3 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.091 1.356 . . . . 0.0 110.594 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.42 143.8 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 O-C-N 121.443 -0.786 . . . . 0.0 112.377 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.91 -3.77 86.7 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.85 1.214 . . . . 0.0 113.549 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . 0.595 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 73.8 mm-40 -86.58 164.16 17.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.937 1.368 . . . . 0.0 113.56 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -121.57 153.38 38.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.448 1.099 . . . . 0.0 112.99 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mt -145.37 156.91 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.979 2.112 . . . . 0.0 108.4 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -131.76 152.63 50.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.019 -1.051 . . . . 0.0 112.353 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.11 135.83 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 125.009 1.324 . . . . 0.0 109.576 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.89 -137.83 49.28 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -175.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -120.62 0.41 10.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.377 1.071 . . . . 0.0 111.011 169.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -122.49 -9.41 8.5 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.238 1.015 . . . . 0.0 113.239 -169.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.34 133.67 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 118.741 0.701 . . . . 0.0 110.659 -174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -116.76 147.38 42.1 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.656 0.782 . . . . 0.0 109.968 171.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -126.31 146.69 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.543 1.537 . . . . 0.0 108.147 177.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -143.62 133.05 23.4 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.409 -0.807 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -86.33 100.94 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 168.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.54 -36.37 60.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.834 -0.541 . . . . 0.0 109.751 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.63 -170.15 42.52 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.761 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.83 154.47 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.384 0.674 . . . . 0.0 110.735 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -139.64 90.04 2.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.211 1.004 . . . . 0.0 108.609 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -117.47 7.46 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -169.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.27 -3.35 44.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.62 0.768 . . . . 0.0 112.177 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -81.52 157.94 24.64 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.761 0.791 . . . . 0.0 111.816 173.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -137.96 112.63 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 125.716 1.606 . . . . 0.0 107.041 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -79.07 112.28 16.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 mt -109.97 127.1 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.857 1.263 . . . . 0.0 109.468 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 142.25 16.04 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 125.294 1.425 . . . . 0.0 111.303 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -136.38 135.14 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -138.07 94.74 2.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -171.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.04 156.48 75.67 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 123.897 0.879 . . . . 0.0 110.474 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.11 151.43 81.9 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.737 2.291 . . . . 0.0 110.992 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.22 -1.0 2.87 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 123.391 0.676 . . . . 0.0 112.557 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.76 -22.63 66.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.362 1.065 . . . . 0.0 111.33 169.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.36 149.54 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.204 1.002 . . . . 0.0 110.562 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.75 154.83 20.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.764 0.425 . . . . 0.0 111.455 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.66 131.29 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -153.74 167.08 30.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.105 0.562 . . . . 0.0 111.257 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -87.3 158.0 19.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 166.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.68 -35.2 74.0 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -168.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.43 -18.9 63.78 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.109 0.963 . . . . 0.0 113.483 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mm -98.53 -34.48 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.014 0.926 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.65 -35.06 54.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.266 1.026 . . . . 0.0 112.159 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -61.33 -24.98 66.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.802 0.841 . . . . 0.0 112.9 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -68.73 -38.54 80.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.499 0.59 . . . . 0.0 111.603 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.67 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mmm . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.9 112.36 11.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.118 1.767 . . . . 0.0 107.257 168.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.59 137.9 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.769 1.228 . . . . 0.0 109.421 -171.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 159.21 38.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.375 0.67 . . . . 0.0 111.74 173.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 19.3 p -90.93 144.83 25.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.372 0.606 . . . . 0.0 112.044 172.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.38 145.94 51.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.551 1.141 . . . . 0.0 108.23 166.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -92.74 158.71 15.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.508 169.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.3 m -42.79 133.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 173.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.55 -6.01 80.27 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.365 0.983 . . . . 0.0 114.177 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -94.38 170.59 9.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.79 1.295 . . . . 0.0 112.615 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.4 m -131.13 158.97 39.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -139.69 153.78 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 128.412 2.685 . . . . 0.0 108.315 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -132.36 145.79 51.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.041 0.936 . . . . 0.0 111.829 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 83.9 mt -133.38 139.56 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.834 1.253 . . . . 0.0 109.131 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.45 -131.88 52.27 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -173.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.94 9.93 5.41 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.617 0.767 . . . . 0.0 111.675 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.64 -8.41 4.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.973 0.909 . . . . 0.0 112.953 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.78 137.35 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.34 0.656 . . . . 0.0 110.608 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -127.68 142.6 51.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 109.489 174.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -125.94 141.14 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.956 1.302 . . . . 0.0 108.056 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -136.1 130.43 33.36 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -84.48 102.75 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.8 mt -73.3 -34.2 65.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.848 0.459 . . . . 0.0 110.241 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.37 179.72 41.43 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 121.049 0.249 . . . . 0.0 112.846 168.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.06 135.0 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.364 1.066 . . . . 0.0 110.091 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -133.36 79.08 1.81 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.794 1.238 . . . . 0.0 109.073 -170.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.98 -118.83 5.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -171.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.412 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mt-30 -94.83 -8.57 37.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.604 0.762 . . . . 0.0 111.077 173.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -79.54 147.97 31.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.177 0.591 . . . . 0.0 110.523 173.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -127.32 123.83 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -95.7 107.75 19.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.495 1.118 . . . . 0.0 108.714 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -117.05 127.28 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.925 0.89 . . . . 0.0 109.982 -168.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.73 142.4 15.98 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 171.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.51 138.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -136.05 89.97 2.53 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.79 155.31 79.51 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.676 1.191 . . . . 0.0 109.644 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.8 151.59 83.22 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.4 2.067 . . . . 0.0 110.905 169.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.05 -1.91 6.75 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.05 -21.49 66.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.315 1.046 . . . . 0.0 111.325 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.09 159.86 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.226 1.01 . . . . 0.0 110.881 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.21 157.11 16.11 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.565 0.746 . . . . 0.0 112.172 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.5 123.73 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.773 167.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -152.31 159.65 43.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.234 0.614 . . . . 0.0 111.388 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -66.64 155.59 37.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.309 0.643 . . . . 0.0 110.353 167.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -55.88 -41.33 74.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -167.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -67.97 -22.42 65.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.4 -41.74 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 123.987 0.915 . . . . 0.0 110.894 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -48.05 -36.05 12.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.904 1.281 . . . . 0.0 112.78 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -60.2 -28.36 67.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.496 1.119 . . . . 0.0 112.962 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.37 -35.64 65.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.342 1.057 . . . . 0.0 111.118 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.454 -0.244 0 C-N-CA 127.29 2.236 . . . . 0.0 109.326 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -113.84 120.94 42.47 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.173 0.589 . . . . 0.0 110.157 -169.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.69 139.18 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.067 0.947 . . . . 0.0 109.82 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -133.69 165.01 25.94 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.804 1.641 . . . . 0.0 110.578 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.0 97.04 4.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 167.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.67 129.83 54.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.099 1.36 . . . . 0.0 110.049 -168.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' F' ' 28' ' ' GLN 0.264 15.2 ptpt -98.68 146.94 25.35 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 123.516 1.627 . . . . 0.0 114.212 176.048 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 27.5 t -34.91 118.03 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 110.317 -3.128 . . . . 0.0 110.227 174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.22 -17.03 44.81 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.356 -0.691 . . . . 0.0 113.922 -178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -86.59 171.09 11.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.647 1.223 . . . . 0.0 111.879 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -133.13 155.48 49.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.943 0.897 . . . . 0.0 111.804 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -125.38 160.85 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 126.647 1.979 . . . . 0.0 108.167 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -134.86 150.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.649 -0.657 . . . . 0.0 111.732 173.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -134.38 137.68 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.442 1.097 . . . . 0.0 109.182 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.42 -137.42 50.03 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.71 8.83 9.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.985 0.914 . . . . 0.0 111.931 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -138.73 -9.14 1.4 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -115.56 135.27 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.925 0.784 . . . . 0.0 110.508 -172.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -126.08 148.32 49.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.984 1.314 . . . . 0.0 109.198 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.79 150.12 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.83 0.852 . . . . 0.0 109.334 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.44 132.21 31.0 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.894 0.878 . . . . 0.0 111.013 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.46 100.77 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 169.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 mt -73.08 -24.13 60.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.691 -0.631 . . . . 0.0 112.087 -171.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.18 168.47 20.5 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 118.577 0.626 . . . . 0.0 113.089 -170.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -114.52 156.63 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.285 0.634 . . . . 0.0 111.2 168.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -143.75 89.83 2.09 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.672 1.189 . . . . 0.0 108.107 168.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.48 -128.63 43.96 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.352 -171.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -75.84 -19.33 58.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.48 0.64 . . . . 0.0 112.177 173.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.06 147.03 36.92 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.639 0.733 . . . . 0.0 110.031 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.17 121.76 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm105 -89.43 120.91 31.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.21 139.03 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.54 1.136 . . . . 0.0 110.302 -167.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 138.85 15.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.417 1.008 . . . . 0.0 110.869 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 19.5 mt -132.49 135.35 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -138.24 101.16 4.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.694 -0.629 . . . . 0.0 111.22 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.77 156.26 79.59 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 124.716 1.206 . . . . 0.0 110.537 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.08 158.03 36.5 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.842 2.361 . . . . 0.0 111.885 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -68.41 -0.86 5.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.401 0.68 . . . . 0.0 112.704 169.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.98 -22.98 67.09 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.75 1.22 . . . . 0.0 111.333 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.9 154.98 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.412 1.085 . . . . 0.0 110.582 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 157.8 19.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.653 0.381 . . . . 0.0 111.467 172.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.05 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.042 -0.411 . . . . 0.0 110.968 169.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.76 170.03 20.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.208 1.003 . . . . 0.0 111.159 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -66.99 154.6 40.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.41 -23.59 64.49 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.107 -0.37 . . . . 0.0 111.783 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.49 -48.79 73.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.578 1.151 . . . . 0.0 111.347 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.53 -31.14 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.575 0.75 . . . . 0.0 109.89 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -54.62 -37.44 65.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.704 0.801 . . . . 0.0 112.379 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -69.99 -22.15 63.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.84 -26.67 64.33 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.497 0.589 . . . . 0.0 110.316 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 92.7 mt -94.23 -39.3 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 110.891 -169.475 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.381 177.772 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.006 -0.045 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -101.05 148.48 25.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.511 0.724 . . . . 0.0 111.288 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.6 137.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.549 0.739 . . . . 0.0 109.452 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.1 162.82 31.4 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 110.181 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.58 97.0 4.4 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 169.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.56 137.65 43.04 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.488 1.515 . . . . 0.0 112.227 -169.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -85.93 157.12 20.23 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 112.104 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.61 138.24 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.148 0.499 . . . . 0.0 111.863 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.14 -5.18 84.53 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.069 0.842 . . . . 0.0 114.11 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.807 1.303 . . . . 0.0 112.368 176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -133.45 157.22 46.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.746 0.818 . . . . 0.0 112.573 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -135.3 157.14 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 126.987 2.115 . . . . 0.0 107.341 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -131.6 150.25 52.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.385 -0.822 . . . . 0.0 112.136 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -134.99 138.79 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.628 1.171 . . . . 0.0 109.033 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.18 -135.31 51.95 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -127.69 10.07 6.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.211 1.004 . . . . 0.0 112.367 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -127.85 -18.11 4.32 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.5 136.18 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 119.039 0.836 . . . . 0.0 110.769 -171.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -126.85 143.22 51.33 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.525 1.13 . . . . 0.0 110.021 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -121.85 143.21 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.782 1.633 . . . . 0.0 107.985 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -136.3 130.41 32.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.081 0.552 . . . . 0.0 109.951 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -85.17 112.54 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -86.17 -26.14 25.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.319 0.648 . . . . 0.0 111.354 -172.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.31 -172.56 33.53 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 117.89 0.314 . . . . 0.0 113.842 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.46 156.0 40.52 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.315 1.446 . . . . 0.0 108.656 168.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -118.81 9.03 Favored Glycine 0 CA--C 1.526 0.76 0 O-C-N 121.68 -0.637 . . . . 0.0 111.769 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . 0.417 ' HB2' ' HE2' ' E' ' 7' ' ' LYS . 8.4 mm100 -88.17 -22.35 24.09 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 117.724 0.762 . . . . 0.0 110.524 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' E' ' 7' ' ' LYS . 10.1 mm-40 -69.62 126.61 30.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.278 0.49 . . . . 0.0 109.782 177.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.57 117.11 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -84.44 127.75 34.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.62 141.83 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 124.03 0.932 . . . . 0.0 110.138 -168.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.48 143.64 17.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 124.26 0.934 . . . . 0.0 111.454 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.35 134.02 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.382 1.073 . . . . 0.0 109.828 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -127.16 103.46 7.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.665 1.186 . . . . 0.0 109.28 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.49 158.84 72.55 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 123.663 0.785 . . . . 0.0 111.442 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -63.87 162.42 28.88 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.845 2.363 . . . . 0.0 112.357 174.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.12 -5.49 27.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.584 0.754 . . . . 0.0 112.56 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.9 -19.4 64.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.87 1.268 . . . . 0.0 112.583 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.17 166.92 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.711 0.804 . . . . 0.0 111.768 -175.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.33 167.45 9.91 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.398 1.079 . . . . 0.0 111.438 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.06 124.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.393 0.677 . . . . 0.0 110.677 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -153.45 -178.44 7.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.174 0.99 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -76.39 155.65 33.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -58.49 -29.02 65.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.373 0.669 . . . . 0.0 112.224 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -58.14 -46.11 86.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.865 0.866 . . . . 0.0 111.284 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.53 -31.23 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 123.686 0.794 . . . . 0.0 109.636 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . 0.407 ' HA ' ' CG1' ' F' ' 51' ' ' ILE . 74.9 t80 -53.21 -33.97 55.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.225 1.01 . . . . 0.0 112.99 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.48 -22.02 65.49 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.446 0.698 . . . . 0.0 112.186 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.03 -23.0 26.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.7 0.8 . . . . 0.0 110.925 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . 0.407 ' CG1' ' HA ' ' F' ' 48' ' ' TYR . 6.2 mm . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.761 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.18 112.56 25.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.652 0.781 . . . . 0.0 109.253 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.23 134.79 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.837 0.855 . . . . 0.0 110.116 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -131.19 159.2 38.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.222 1.009 . . . . 0.0 109.906 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -124.56 113.48 18.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.219 1.008 . . . . 0.0 108.643 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.32 139.96 49.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.401 0.68 . . . . 0.0 110.803 -167.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.0 162.3 13.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 118.663 0.665 . . . . 0.0 110.943 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -44.37 129.63 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.77 0.828 . . . . 0.0 110.847 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.42 81.67 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.376 0.989 . . . . 0.0 114.816 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -86.6 169.05 13.09 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 119.244 1.522 . . . . 0.0 112.548 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -137.87 141.8 40.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.103 0.961 . . . . 0.0 111.949 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.7 mm -124.29 154.13 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.162 1.785 . . . . 0.0 108.02 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.44 137.43 48.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.293 1.037 . . . . 0.0 110.114 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -135.21 127.99 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.012 0.925 . . . . 0.0 109.31 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.79 -134.96 35.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -121.03 -1.12 9.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.963 0.905 . . . . 0.0 112.232 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.35 -20.15 2.7 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.99 139.22 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 118.745 0.702 . . . . 0.0 110.74 -169.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 m -137.41 140.96 41.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.289 1.036 . . . . 0.0 109.284 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 mm -124.19 124.74 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.167 0.987 . . . . 0.0 108.69 -176.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -118.88 136.04 54.25 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.754 0.821 . . . . 0.0 109.577 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -89.89 112.45 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.16 -22.55 36.03 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.909 -0.495 . . . . 0.0 110.045 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.15 -167.98 39.04 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 117.881 0.31 . . . . 0.0 113.665 168.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.01 161.01 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.061 0.945 . . . . 0.0 111.428 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -143.63 69.25 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.769 1.228 . . . . 0.0 109.401 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.16 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -71.08 -12.04 61.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.853 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -98.91 157.41 16.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.061 0.934 . . . . 0.0 112.222 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -138.48 124.01 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.021 1.728 . . . . 0.0 108.118 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -103.29 101.88 11.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.546 0.739 . . . . 0.0 110.45 -175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -108.55 133.62 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.523 1.529 . . . . 0.0 109.604 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.82 133.77 11.84 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 169.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.78 132.56 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.657 1.183 . . . . 0.0 108.363 175.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -119.02 75.06 1.01 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.631 1.172 . . . . 0.0 109.389 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.48 152.53 44.67 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.546 174.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.56 156.84 49.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.491 2.127 . . . . 0.0 110.621 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -67.88 -2.97 8.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.87 -30.85 71.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.867 0.867 . . . . 0.0 111.571 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -120.23 144.11 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.882 0.848 . . . . 0.0 111.891 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.08 143.08 41.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.53 1.132 . . . . 0.0 111.741 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.88 120.89 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.224 0.61 . . . . 0.0 109.428 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -148.92 171.99 15.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.371 0.669 . . . . 0.0 111.198 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.11 158.96 16.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.521 0.728 . . . . 0.0 110.948 169.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.55 -28.23 69.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -167.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -74.69 -5.29 42.35 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.207 -0.933 . . . . 0.0 113.186 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.69 -30.07 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.774 1.23 . . . . 0.0 110.871 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.84 -32.13 72.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 118.886 0.766 . . . . 0.0 110.529 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.14 -13.31 60.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.416 0.686 . . . . 0.0 112.077 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -78.66 -33.56 47.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.822 0.849 . . . . 0.0 110.887 169.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.72 -52.62 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 . . . . . 0 N--CA 1.451 -0.388 0 C-N-CA 123.544 0.738 . . . . 0.0 112.266 -174.236 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.8 tpp . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.492 -0.289 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -114.01 120.68 41.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.94 139.18 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.791 0.437 . . . . 0.0 112.078 -165.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.66 142.72 45.19 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.987 1.315 . . . . 0.0 110.716 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -118.34 100.98 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -126.59 157.28 39.28 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 124.052 0.941 . . . . 0.0 110.874 -169.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -92.03 168.77 11.16 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -61.3 137.53 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.487 0.66 . . . . 0.0 111.241 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.65 -1.52 81.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.104 -0.831 . . . . 0.0 114.219 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.89 159.32 20.36 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.768 1.284 . . . . 0.0 112.285 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -127.33 143.63 51.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.273 1.029 . . . . 0.0 110.891 -169.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.0 mt -137.43 151.75 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.134 1.374 . . . . 0.0 109.223 -170.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -136.1 140.58 43.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.086 0.554 . . . . 0.0 111.729 -169.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.46 129.83 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.829 0.851 . . . . 0.0 109.759 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.59 -137.16 50.49 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -174.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.85 5.06 7.34 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.749 0.819 . . . . 0.0 112.656 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -112.54 -20.03 11.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.7 135.38 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 119.045 0.838 . . . . 0.0 111.474 -169.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -130.97 148.22 52.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 109.802 169.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.31 141.33 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.054 1.741 . . . . 0.0 108.059 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -133.48 128.03 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.91 106.1 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -74.4 -32.64 62.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.992 -0.442 . . . . 0.0 110.78 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 167.87 21.47 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 122.844 0.259 . . . . 0.0 112.545 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.09 147.1 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 109.804 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -123.67 78.71 1.63 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.58 -119.3 4.96 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -174.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.8 10.44 38.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.925 0.49 . . . . 0.0 111.043 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -98.92 155.39 17.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.199 1.0 . . . . 0.0 110.087 173.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -137.14 104.88 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.02 115.2 21.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.218 1.007 . . . . 0.0 108.637 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 pt -133.11 139.71 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.354 0.662 . . . . 0.0 111.106 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.37 140.54 15.04 Favored Glycine 0 C--N 1.333 0.394 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.624 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -120.87 129.2 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -129.4 79.62 1.92 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.411 -167.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.32 157.35 72.87 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-N 113.919 -1.492 . . . . 0.0 109.354 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -59.32 154.5 46.43 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 121.598 1.532 . . . . 0.0 109.893 168.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -70.0 -0.91 8.34 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.822 0.849 . . . . 0.0 111.843 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.85 -24.43 66.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.883 1.673 . . . . 0.0 111.042 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.51 144.0 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.59 1.156 . . . . 0.0 109.687 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.514 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -87.26 141.24 28.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.241 0.543 . . . . 0.0 111.149 172.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.49 99.22 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.988 -166.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.514 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.5 OUTLIER -147.41 170.15 17.99 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 124.307 1.043 . . . . 0.0 111.228 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -76.92 161.78 28.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.191 -0.318 . . . . 0.0 111.496 169.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -52.03 -42.43 63.07 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 123.739 0.816 . . . . 0.0 112.462 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -47.99 -48.97 32.21 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.734 0.414 . . . . 0.0 110.89 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.23 -47.56 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.117 1.367 . . . . 0.0 110.135 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -49.84 -38.22 34.05 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.425 1.09 . . . . 0.0 111.73 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -68.28 -27.3 66.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -81.12 -38.12 27.76 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.244 0.929 . . . . 0.0 110.516 172.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.59 -41.63 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -79.61 4.94 14.45 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.74 -19.23 49.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.275 0.489 . . . . 0.0 111.501 168.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.39 46.11 0.08 OUTLIER Glycine 0 C--N 1.339 0.71 0 CA-C-O 119.455 -0.636 . . . . 0.0 114.267 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.06 -175.55 2.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.941 0.871 . . . . 0.0 112.724 -168.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -125.09 177.23 6.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.159 1.384 . . . . 0.0 109.578 167.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.76 118.91 1.09 Allowed Pre-proline 0 N--CA 1.455 -0.191 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -63.51 169.02 10.4 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.266 1.977 . . . . 0.0 114.582 -168.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 112.583 -179.473 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.52 111.35 22.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 167.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.38 134.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.035 0.934 . . . . 0.0 109.61 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -130.36 142.92 50.5 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.815 1.246 . . . . 0.0 109.972 172.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -106.64 141.44 37.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.802 0.441 . . . . 0.0 111.124 171.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -139.1 138.74 37.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.613 0.765 . . . . 0.0 110.957 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.4 tptm -74.64 156.17 37.0 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.06 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 119.283 0.947 . . . . 0.0 112.156 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.01 -5.69 81.82 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 125.096 1.331 . . . . 0.0 114.031 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -90.0 179.38 5.97 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.949 1.374 . . . . 0.0 112.168 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -141.63 158.91 43.24 Favored 'General case' 0 C--N 1.339 0.122 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -167.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.0 mt -139.36 156.44 26.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.568 2.347 . . . . 0.0 108.439 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -131.42 146.78 52.42 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.277 1.031 . . . . 0.0 111.751 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -132.56 131.22 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.433 1.093 . . . . 0.0 108.701 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -137.79 48.4 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -169.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -122.57 6.74 9.49 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.808 0.843 . . . . 0.0 111.753 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -120.44 -11.79 9.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.845 0.858 . . . . 0.0 112.842 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.37 133.48 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.505 0.722 . . . . 0.0 110.449 -176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.86 141.26 52.07 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.399 1.08 . . . . 0.0 109.672 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.3 mm -119.48 136.83 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.829 1.252 . . . . 0.0 108.431 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -130.04 127.14 39.32 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.741 0.416 . . . . 0.0 110.183 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -79.88 108.59 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 168.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -84.63 -33.66 23.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.34 -173.03 43.09 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 120.236 -0.202 . . . . 0.0 113.572 168.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.0 152.09 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.359 0.664 . . . . 0.0 110.909 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -141.95 99.14 3.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.492 1.117 . . . . 0.0 108.343 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.56 -124.65 15.89 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -94.27 -4.44 48.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.592 1.157 . . . . 0.0 112.109 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -80.86 151.13 28.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.879 0.847 . . . . 0.0 111.081 173.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.9 112.81 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -76.19 110.5 10.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 170.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -114.48 128.16 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.614 1.166 . . . . 0.0 109.301 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.35 140.61 15.08 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.818 0.723 . . . . 0.0 111.638 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.85 121.75 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.579 1.152 . . . . 0.0 108.463 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -115.91 103.01 10.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.245 0.618 . . . . 0.0 109.666 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.18 60.38 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.295 1.038 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -63.17 152.27 80.53 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.915 2.41 . . . . 0.0 111.231 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.59 -0.97 3.16 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.201 0.6 . . . . 0.0 112.551 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.92 -22.59 66.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.908 0.883 . . . . 0.0 111.064 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.68 146.53 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.432 1.093 . . . . 0.0 110.398 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.46 154.53 19.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.68 0.392 . . . . 0.0 111.233 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.75 131.51 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.038 0 C-N-CA 123.044 0.537 . . . . 0.0 110.183 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -157.32 159.31 37.38 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -66.2 147.81 52.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -61.14 -30.58 70.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.601 0.637 . . . . 0.0 112.426 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.88 -46.6 78.24 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.83 0.852 . . . . 0.0 111.651 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.92 -31.69 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.618 0.767 . . . . 0.0 110.561 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.07 -36.55 63.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.84 0.856 . . . . 0.0 112.219 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.68 -30.42 71.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.957 0.503 . . . . 0.0 112.029 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -71.63 -34.78 70.08 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.615 0.766 . . . . 0.0 111.813 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 mm . . . . . 0 N--CA 1.457 -0.12 0 C-N-CA 123.405 0.682 . . . . 0.0 110.394 175.858 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.7 113.81 24.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.537 1.535 . . . . 0.0 108.863 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -104.44 137.53 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.775 1.23 . . . . 0.0 109.969 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -132.72 167.35 20.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.242 1.417 . . . . 0.0 111.132 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.37 114.8 28.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 165.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.77 134.78 51.63 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.028 0.931 . . . . 0.0 110.314 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -92.37 157.12 16.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 119.102 0.864 . . . . 0.0 111.594 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -48.9 136.23 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.246 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.82 -6.28 79.53 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.538 1.066 . . . . 0.0 114.265 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.39 178.17 5.91 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.997 1.399 . . . . 0.0 112.523 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -136.9 161.4 36.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.075 0.95 . . . . 0.0 112.823 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -137.36 157.98 34.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.165 2.186 . . . . 0.0 108.397 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -123.37 149.83 44.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.461 0.704 . . . . 0.0 111.584 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.3 mt -134.61 129.22 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.742 1.217 . . . . 0.0 109.254 174.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.63 -133.69 44.41 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.04 9.46 5.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.641 0.776 . . . . 0.0 112.628 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.63 -19.51 6.83 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.48 132.03 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.827 0.739 . . . . 0.0 110.532 -171.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -121.92 145.29 48.24 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.863 0.865 . . . . 0.0 109.891 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -123.8 143.67 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.26 1.424 . . . . 0.0 108.289 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -137.25 128.12 27.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.362 0.665 . . . . 0.0 109.343 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.33 97.77 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.56 -32.81 68.52 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.058 0.543 . . . . 0.0 111.17 -169.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.06 -175.04 45.44 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-O 121.393 0.441 . . . . 0.0 113.047 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.35 129.57 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.445 1.098 . . . . 0.0 110.111 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -132.59 88.41 2.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.533 1.533 . . . . 0.0 108.739 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.78 -125.26 9.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.407 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 64.7 mm-40 -89.46 -11.21 43.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 117.276 0.538 . . . . 0.0 111.373 171.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.2 134.89 36.17 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.617 0.722 . . . . 0.0 110.774 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -119.13 122.15 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -95.76 107.25 19.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.963 0.905 . . . . 0.0 108.706 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.75 125.43 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.74 0.816 . . . . 0.0 109.835 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.03 136.22 13.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.17 142.62 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.855 0.862 . . . . 0.0 108.791 173.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -137.97 90.0 2.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.82 0.848 . . . . 0.0 108.903 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.47 154.74 62.88 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.706 1.202 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.41 148.94 88.8 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 121.991 1.794 . . . . 0.0 110.67 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.0 -4.79 10.56 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -68.22 -18.62 64.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.345 1.458 . . . . 0.0 112.441 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -125.61 159.58 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.863 0.865 . . . . 0.0 110.397 174.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.36 157.03 16.19 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.46 125.81 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.94 0.496 . . . . 0.0 109.98 168.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -148.56 165.63 30.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.478 0.711 . . . . 0.0 111.25 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.75 156.72 19.61 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 167.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -61.57 -31.53 71.58 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.457 0.571 . . . . 0.0 110.639 169.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -50.97 -50.34 58.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.355 1.462 . . . . 0.0 111.456 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -81.71 -40.54 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.182 0.993 . . . . 0.0 110.014 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -47.56 -39.66 17.06 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.24 1.416 . . . . 0.0 112.224 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.54 -31.42 66.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.498 1.119 . . . . 0.0 112.619 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -72.71 -34.67 67.28 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.527 0.603 . . . . 0.0 110.953 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.406 0.682 . . . . 0.0 109.609 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 10.1 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 142.44 51.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.708 0.803 . . . . 0.0 109.75 169.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mm -118.86 123.17 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.036 0.935 . . . . 0.0 109.16 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.59 151.65 39.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.584 1.554 . . . . 0.0 110.278 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.36 118.44 19.41 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 168.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -133.32 162.07 32.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.279 1.032 . . . . 0.0 110.214 -171.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -122.75 164.94 17.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.388 0.675 . . . . 0.0 110.667 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.35 138.3 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 CA-C-O 120.939 0.399 . . . . 0.0 111.972 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.63 84.11 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.946 0.784 . . . . 0.0 114.443 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -91.54 170.45 9.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.842 1.321 . . . . 0.0 111.792 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.2 m -135.05 155.24 51.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -170.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 30.0 mt -132.79 155.23 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.298 1.839 . . . . 0.0 107.876 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -139.01 145.26 39.44 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.596 -0.69 . . . . 0.0 112.189 -169.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 59.9 mt -134.49 138.1 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.528 1.131 . . . . 0.0 109.325 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.04 -133.23 50.96 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.55 9.98 7.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.465 1.106 . . . . 0.0 111.464 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.61 -9.55 1.41 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -169.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.51 135.0 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 119.023 0.829 . . . . 0.0 110.595 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 79.9 m -132.68 143.53 49.7 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.118 0.967 . . . . 0.0 110.406 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.1 mm -117.63 139.6 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.843 1.657 . . . . 0.0 107.924 173.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -135.68 124.27 23.66 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.975 0.51 . . . . 0.0 110.108 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.82 109.48 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.76 -31.11 61.68 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.189 -0.319 . . . . 0.0 110.309 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.7 179.44 29.11 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 123.432 0.539 . . . . 0.0 113.462 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 m -108.86 154.19 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.648 0.779 . . . . 0.0 112.041 -175.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.8 m -143.52 89.94 2.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.538 1.535 . . . . 0.0 108.499 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.22 -130.01 48.4 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -171.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -70.85 -18.13 62.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . 0.469 ' CG ' HG21 ' F' ' 5' ' ' THR . 12.0 tt0 -86.71 144.79 26.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.297 0.639 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 t -139.66 119.79 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -169.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -95.92 124.44 39.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.092 0.557 . . . . 0.0 109.666 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.25 130.82 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.254 0.622 . . . . 0.0 110.871 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.72 143.44 17.16 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.111 0.862 . . . . 0.0 111.549 171.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.93 124.9 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.911 1.284 . . . . 0.0 108.608 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -127.03 98.99 5.52 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.934 0.493 . . . . 0.0 109.724 -169.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.57 155.53 71.68 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.389 1.075 . . . . 0.0 110.736 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.68 159.34 37.52 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.984 2.456 . . . . 0.0 112.066 171.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -69.11 -0.84 6.4 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 123.349 0.66 . . . . 0.0 112.656 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.96 -23.0 67.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.706 1.202 . . . . 0.0 111.489 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.3 154.88 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.25 1.02 . . . . 0.0 110.568 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.47 155.79 19.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.475 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.01 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.789 0.435 . . . . 0.0 110.306 168.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -150.75 168.8 23.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.113 0.965 . . . . 0.0 110.278 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -78.6 161.32 27.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.762 -0.586 . . . . 0.0 109.968 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.55 -25.07 64.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -52.31 65.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.825 0.85 . . . . 0.0 111.806 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -75.82 -32.87 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.889 0.875 . . . . 0.0 109.838 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -55.88 -35.05 66.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.254 1.022 . . . . 0.0 112.716 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -68.19 -27.07 66.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.49 -23.0 61.72 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.691 0.796 . . . . 0.0 110.608 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -96.7 -47.4 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.945 0.898 . . . . 0.0 109.814 -170.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.03 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.92 151.03 20.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.054 0.541 . . . . 0.0 111.505 173.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.75 122.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.22 150.48 32.28 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.67 1.588 . . . . 0.0 108.759 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 5' ' ' THR . . . . . 0.469 HG21 ' CG ' ' E' ' 29' ' ' GLN . 2.8 m -130.44 102.27 6.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.917 0.326 . . . . 0.0 110.715 171.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.72 162.17 33.08 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -100.01 171.17 8.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -61.74 142.85 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.867 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.87 -1.96 84.9 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 123.746 0.689 . . . . 0.0 113.998 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' F' ' 11' ' ' SER . 13.2 tt0 -91.12 -178.97 5.32 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.323 1.049 . . . . 0.0 111.516 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 11' ' ' SER . . . . . 0.424 ' H ' ' HG2' ' F' ' 10' ' ' GLU . 74.6 m -146.59 153.31 40.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.782 0.833 . . . . 0.0 111.688 -169.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.58 151.85 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.367 1.467 . . . . 0.0 108.447 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -127.28 150.03 49.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.576 -0.703 . . . . 0.0 112.607 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.8 mt -136.03 141.9 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.559 1.144 . . . . 0.0 108.979 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.86 -136.92 49.84 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -121.35 10.08 10.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.327 1.051 . . . . 0.0 111.508 175.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.79 -23.8 0.77 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -169.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.38 136.39 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 119.05 0.841 . . . . 0.0 110.45 -172.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -128.24 136.82 51.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.264 1.026 . . . . 0.0 110.191 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -112.02 140.33 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.959 1.304 . . . . 0.0 108.085 169.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -134.92 135.97 41.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.774 0.829 . . . . 0.0 109.659 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -96.57 116.53 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.92 -27.0 28.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.885 0.474 . . . . 0.0 110.542 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.36 -171.71 30.22 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.273 0.463 . . . . 0.0 113.118 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -125.06 159.71 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.258 0.623 . . . . 0.0 112.29 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 20.2 t -148.28 89.94 1.76 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.824 1.25 . . . . 0.0 108.842 169.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 -122.63 29.82 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -73.13 -15.84 61.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.39 141.89 28.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 110.808 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.4 113.14 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 126.764 2.026 . . . . 0.0 106.637 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.75 128.17 37.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.625 0.77 . . . . 0.0 108.952 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.29 142.2 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.995 0.918 . . . . 0.0 110.879 -166.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.3 143.11 16.39 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.498 1.046 . . . . 0.0 110.919 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -129.7 135.25 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.134 0.973 . . . . 0.0 108.996 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -134.86 109.22 8.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.602 0.761 . . . . 0.0 109.755 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.32 157.76 74.84 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 123.742 0.817 . . . . 0.0 111.625 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -66.85 162.12 39.12 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.047 2.498 . . . . 0.0 112.148 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -64.15 -16.39 61.78 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.227 1.011 . . . . 0.0 112.752 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.8 -16.74 64.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.133 1.373 . . . . 0.0 112.67 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.36 165.08 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 111.189 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.88 164.03 12.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.248 0.619 . . . . 0.0 111.734 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.07 127.85 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.655 0.782 . . . . 0.0 110.344 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.85 169.1 24.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.075 0.95 . . . . 0.0 110.98 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -87.42 165.43 15.57 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 167.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -22.52 65.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.67 -40.49 88.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.295 0.638 . . . . 0.0 111.131 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.32 -37.93 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.288 0.635 . . . . 0.0 109.303 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -55.22 -35.65 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.662 0.785 . . . . 0.0 112.668 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -67.09 -22.0 65.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.428 0.691 . . . . 0.0 112.249 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -85.07 -23.01 28.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.363 0.665 . . . . 0.0 111.446 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mm . . . . . 0 N--CA 1.454 -0.242 0 C-N-CA 123.627 0.771 . . . . 0.0 109.359 171.17 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.57 116.42 30.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 109.603 -176.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.4 135.27 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.717 0.807 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.7 mt -133.69 159.6 40.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.594 1.158 . . . . 0.0 109.295 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.6 m -124.99 100.99 6.84 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -106.46 136.37 46.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.301 0.64 . . . . 0.0 110.835 -172.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -94.57 156.14 16.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -61.37 129.59 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.586 -169.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.25 -6.31 53.29 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.486 1.041 . . . . 0.0 114.16 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.78 169.57 10.37 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.823 1.312 . . . . 0.0 112.086 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -138.83 149.34 44.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -168.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 32.1 mm -113.97 152.03 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 125.525 1.53 . . . . 0.0 109.885 169.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -123.43 136.08 54.43 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.751 1.221 . . . . 0.0 109.701 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.57 130.26 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.256 1.022 . . . . 0.0 109.425 -172.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.1 24.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -129.99 0.83 4.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.041 0.936 . . . . 0.0 111.847 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -138.81 -9.11 1.38 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -114.26 138.73 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 118.973 0.806 . . . . 0.0 110.431 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -135.36 149.94 49.82 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.513 0.725 . . . . 0.0 109.185 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 mm -130.3 139.56 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.036 1.334 . . . . 0.0 107.925 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.1 m -135.28 128.7 32.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.02 101.81 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -31.58 66.14 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.617 -0.677 . . . . 0.0 110.394 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.44 -171.6 40.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.451 0.94 . . . . 0.0 115.451 165.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.39 146.45 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.377 1.071 . . . . 0.0 111.892 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -137.57 60.92 1.62 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.297 1.439 . . . . 0.0 110.014 -176.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.63 -128.45 8.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -76.37 -15.56 59.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.309 0.555 . . . . 0.0 111.964 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.463 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 3.0 pt20 -98.79 148.6 23.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 122.411 1.101 . . . . 0.0 112.7 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.3 121.08 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.432 1.893 . . . . 0.0 109.573 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpp85 -83.57 107.32 15.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.351 . . . . 0.0 111.652 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mt -107.49 139.2 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.577 1.551 . . . . 0.0 109.229 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.59 139.75 15.45 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.081 0.848 . . . . 0.0 111.662 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.51 138.88 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.947 1.299 . . . . 0.0 108.906 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -124.62 74.97 1.37 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.229 1.412 . . . . 0.0 109.395 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.24 153.51 51.56 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.833 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.94 157.17 43.2 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.661 2.241 . . . . 0.0 110.806 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.55 -3.57 9.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.89 -31.01 71.69 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.059 0.944 . . . . 0.0 111.706 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -119.62 143.97 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-O 121.856 0.836 . . . . 0.0 111.483 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 143.04 36.94 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.848 0.859 . . . . 0.0 111.194 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -132.23 119.03 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.54 0.736 . . . . 0.0 109.35 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -151.27 154.33 36.58 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.968 0.507 . . . . 0.0 111.251 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 163.72 23.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.175 -0.328 . . . . 0.0 111.651 169.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -60.15 -34.76 74.0 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -80.24 1.59 27.84 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.449 -0.782 . . . . 0.0 112.674 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -125.57 -7.95 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.052 1.341 . . . . 0.0 110.893 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -80.05 -39.64 29.39 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 120.379 -1.451 . . . . 0.0 110.798 170.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.48 -14.94 60.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.038 0.535 . . . . 0.0 112.225 -172.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -82.37 -23.4 35.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 111.697 171.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt -77.76 -49.38 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.399 0.68 . . . . 0.0 109.789 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 123.352 0.661 . . . . 0.0 111.526 179.407 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.631 -0.224 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.54 120.69 41.86 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.5 mt -116.71 134.0 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.236 0.614 . . . . 0.0 111.499 -165.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -138.81 148.04 43.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.077 1.351 . . . . 0.0 110.686 -169.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.9 m -111.81 120.2 41.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.82 124.49 43.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 110.434 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 36.8 ttpt -88.02 151.98 22.37 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.54 133.98 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-O 121.221 0.534 . . . . 0.0 111.742 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.34 -11.63 68.72 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.131 -0.816 . . . . 0.0 114.484 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -84.1 168.98 15.35 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.854 1.327 . . . . 0.0 111.763 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -138.61 156.78 47.16 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -168.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -129.46 148.29 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 C-N-CA 126.93 2.092 . . . . 0.0 108.956 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -121.16 146.18 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.294 1.038 . . . . 0.0 110.249 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -133.83 129.11 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.868 0.867 . . . . 0.0 110.093 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -134.86 51.38 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.33 5.06 6.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.768 0.827 . . . . 0.0 112.833 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -115.59 -17.98 11.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.99 133.27 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 119.363 0.983 . . . . 0.0 111.453 -169.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -127.24 146.89 50.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.449 1.1 . . . . 0.0 109.785 169.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -129.83 142.06 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.412 1.485 . . . . 0.0 108.367 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -138.45 130.99 29.07 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.034 0.533 . . . . 0.0 110.415 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.05 106.8 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -73.12 -34.06 65.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.95 -0.469 . . . . 0.0 110.615 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.71 171.83 27.18 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.13 147.49 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 121.196 0.522 . . . . 0.0 109.905 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -125.82 74.68 1.44 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.302 1.041 . . . . 0.0 108.613 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -122.03 5.62 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 8.69 42.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.15 -0.618 . . . . 0.0 111.089 172.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -98.97 158.01 15.94 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.176 0.99 . . . . 0.0 109.807 169.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 t -140.98 114.7 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.879 -170.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -83.02 116.71 22.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 109.843 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.45 131.24 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.423 1.089 . . . . 0.0 109.628 -171.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.49 138.17 13.77 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 111.564 -0.615 . . . . 0.0 111.564 172.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -123.12 132.83 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.923 0.889 . . . . 0.0 109.293 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -133.04 79.2 1.83 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.186 -168.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.96 157.61 68.68 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.942 -1.481 . . . . 0.0 109.584 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.37 157.66 34.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.088 1.859 . . . . 0.0 111.67 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -68.99 -0.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.194 0.998 . . . . 0.0 112.2 168.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.85 -25.1 67.04 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.121 1.369 . . . . 0.0 111.306 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -114.36 144.07 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.58 1.152 . . . . 0.0 110.298 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -87.55 143.05 27.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.297 0.57 . . . . 0.0 111.344 170.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.24 97.49 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.313 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.453 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.4 OUTLIER -144.61 163.46 33.86 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.923 0.889 . . . . 0.0 111.275 178.612 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.8 ptt-85 -66.26 158.01 30.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.325 -0.234 . . . . 0.0 110.909 169.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -54.37 -37.4 64.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.39 0.676 . . . . 0.0 112.394 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.46 -46.52 48.08 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.196 0.453 . . . . 0.0 111.182 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.91 -47.14 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 125.338 1.455 . . . . 0.0 110.035 -172.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -50.1 -36.94 31.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.248 1.019 . . . . 0.0 111.793 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.96 -23.84 64.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -83.92 -38.14 21.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 119.23 0.923 . . . . 0.0 110.913 170.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.57 -41.23 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -79.4 5.06 13.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.2 -19.14 47.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.946 0.498 . . . . 0.0 111.456 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.93 45.88 0.08 OUTLIER Glycine 0 C--N 1.339 0.697 0 CA-C-O 119.45 -0.639 . . . . 0.0 114.482 168.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.97 -175.98 2.5 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.926 0.863 . . . . 0.0 112.993 -168.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -125.79 177.49 6.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.588 1.555 . . . . 0.0 109.191 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.5 119.14 1.06 Allowed Pre-proline 0 CA--C 1.53 0.21 0 C-N-CA 124.833 1.253 . . . . 0.0 112.176 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -71.35 -179.35 3.54 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.649 1.566 . . . . 0.0 114.419 -169.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.557 -176.197 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.26 102.8 9.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 166.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.9 133.22 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 123.646 0.779 . . . . 0.0 109.437 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -129.97 139.14 51.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.415 1.086 . . . . 0.0 109.555 169.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -101.22 146.25 27.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.265 0.555 . . . . 0.0 110.603 169.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -138.17 143.79 40.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.333 0.653 . . . . 0.0 109.97 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 0.5 OUTLIER -80.89 154.75 26.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 167.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.26 134.14 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 O-C-N 121.512 -0.742 . . . . 0.0 111.431 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -4.79 77.3 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.529 1.062 . . . . 0.0 114.173 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -88.05 175.89 7.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.212 1.506 . . . . 0.0 112.073 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -137.83 158.26 44.72 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -167.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mt -139.33 156.35 26.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.624 2.37 . . . . 0.0 108.801 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -129.5 146.15 51.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.854 1.262 . . . . 0.0 111.377 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -135.16 138.02 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.467 1.107 . . . . 0.0 109.893 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.83 -132.5 51.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -130.0 10.04 5.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.808 0.843 . . . . 0.0 110.976 169.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.6 -10.73 3.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.483 1.113 . . . . 0.0 112.654 -170.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.72 134.49 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.484 0.713 . . . . 0.0 110.398 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.8 m -125.08 144.56 50.35 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.777 0.831 . . . . 0.0 109.722 174.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -126.22 140.45 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 108.524 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -136.67 131.73 34.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.946 -0.471 . . . . 0.0 110.639 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.35 110.43 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.77 -34.19 21.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.53 -171.02 41.99 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 121.965 -0.159 . . . . 0.0 113.307 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 m -120.38 152.84 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.319 0.648 . . . . 0.0 110.933 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -134.11 80.54 1.87 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.889 1.275 . . . . 0.0 108.184 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 -113.84 4.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.061 -1.215 . . . . 0.0 110.061 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.84 -5.74 37.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.978 0.911 . . . . 0.0 112.388 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.14 154.83 26.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.914 0.486 . . . . 0.0 110.129 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -129.53 120.79 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -81.81 114.96 20.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mt -120.25 128.61 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.315 1.446 . . . . 0.0 108.972 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.26 139.64 14.5 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.334 0.969 . . . . 0.0 111.906 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.5 mt -126.82 120.07 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.469 1.108 . . . . 0.0 108.952 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -114.03 102.48 10.22 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.535 0.734 . . . . 0.0 109.703 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.21 155.04 72.62 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.958 0.903 . . . . 0.0 110.395 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.73 153.16 79.11 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.942 2.428 . . . . 0.0 111.24 172.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.75 -0.85 3.23 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.07 -23.26 66.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.302 1.041 . . . . 0.0 111.211 169.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.51 149.58 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.259 1.023 . . . . 0.0 110.712 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 153.11 21.96 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.72 0.408 . . . . 0.0 111.243 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.37 132.1 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.64 154.63 33.28 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.014 0.526 . . . . 0.0 111.517 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -72.2 165.15 24.98 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 166.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -64.17 -30.99 72.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -169.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -47.52 84.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.907 0.883 . . . . 0.0 111.689 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -86.31 -31.53 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.014 0.526 . . . . 0.0 110.521 -172.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -51.66 -37.47 50.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.785 0.834 . . . . 0.0 112.324 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.95 -30.55 67.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.704 0.801 . . . . 0.0 112.572 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -69.2 -37.15 77.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.689 0.796 . . . . 0.0 111.751 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.011 0.524 . . . . 0.0 110.155 176.105 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.0 110.34 20.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.55 1.14 . . . . 0.0 109.465 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.46 141.04 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.073 1.349 . . . . 0.0 110.072 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt -139.2 165.17 27.88 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 125.037 1.335 . . . . 0.0 111.814 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.06 113.79 24.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.008 0.923 . . . . 0.0 108.778 165.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -117.88 143.81 45.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.114 0.565 . . . . 0.0 109.979 169.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.32 163.5 21.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.27 0.557 . . . . 0.0 110.792 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -52.21 135.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.826 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.51 78.72 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.299 0.952 . . . . 0.0 114.285 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -103.51 174.93 5.65 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.896 1.348 . . . . 0.0 112.237 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -133.16 157.63 44.86 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -140.72 162.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 C-N-CA 126.549 1.94 . . . . 0.0 108.597 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -138.66 147.84 43.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.46 1.104 . . . . 0.0 112.039 -172.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.5 137.23 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.785 1.234 . . . . 0.0 109.118 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.98 51.32 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -124.33 7.95 8.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 111.811 172.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -133.24 -8.88 2.96 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.64 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.875 0.761 . . . . 0.0 110.625 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 73.9 m -132.16 144.86 50.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.323 1.049 . . . . 0.0 110.001 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -123.88 140.25 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.412 1.485 . . . . 0.0 108.303 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -132.75 123.77 26.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.19 108.12 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -78.55 -33.16 48.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.247 0.619 . . . . 0.0 110.527 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.82 -175.95 41.35 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 112.774 -0.13 . . . . 0.0 112.774 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.96 160.27 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.994 0.517 . . . . 0.0 110.649 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -144.0 78.03 1.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.75 0.82 . . . . 0.0 108.91 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 -114.86 3.97 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.42 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 71.6 mt-30 -90.58 -9.42 47.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.537 0.735 . . . . 0.0 110.761 173.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.68 150.85 42.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.652 0.739 . . . . 0.0 111.466 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.48 112.11 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -91.98 111.48 23.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.509 1.124 . . . . 0.0 108.555 -175.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -120.35 123.95 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.637 0.775 . . . . 0.0 110.275 -169.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.21 136.17 13.74 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -126.51 139.5 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -138.08 100.5 4.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -171.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.05 155.49 80.05 Favored Pre-proline 0 N--CA 1.451 -0.408 0 C-N-CA 124.402 1.081 . . . . 0.0 109.733 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.3 151.34 83.0 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.308 2.005 . . . . 0.0 110.87 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.13 -2.14 7.36 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -22.47 66.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.631 1.172 . . . . 0.0 111.407 168.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.62 159.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.293 1.037 . . . . 0.0 110.789 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.4 157.12 16.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 112.274 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.17 127.02 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 O-C-N 121.682 -0.636 . . . . 0.0 110.615 168.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -151.06 167.48 27.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.989 0.916 . . . . 0.0 111.243 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -65.11 156.28 32.13 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.56 -34.95 74.91 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-N 119.305 0.957 . . . . 0.0 111.565 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -55.73 -34.12 64.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.482 0.713 . . . . 0.0 112.27 173.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 38.4 mm -94.73 -38.2 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.061 1.344 . . . . 0.0 110.337 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.58 -43.21 75.76 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.76 0.424 . . . . 0.0 110.103 169.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.25 -22.23 64.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -75.85 -40.1 55.37 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.857 0.863 . . . . 0.0 110.996 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 178.94 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpt . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 118.523 2.786 . . . . 0.0 118.523 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 137.57 34.68 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.801 2.041 . . . . 0.0 107.093 163.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.53 129.89 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.483 0.713 . . . . 0.0 109.603 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.7 159.14 25.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.269 1.828 . . . . 0.0 110.276 -174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -143.57 110.33 5.58 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 167.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -133.57 141.06 47.52 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.202 1.001 . . . . 0.0 110.279 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . 0.404 ' HE3' ' OE1' ' F' ' 29' ' ' GLN . 9.5 ptpp? -94.52 167.46 11.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -56.79 136.36 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.225 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.51 -5.51 83.8 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.124 -0.82 . . . . 0.0 114.307 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -89.88 170.52 10.32 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.88 1.34 . . . . 0.0 111.71 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -137.75 162.88 32.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.591 0.71 . . . . 0.0 112.781 -169.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 mt -151.92 156.68 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.807 2.043 . . . . 0.0 108.285 -168.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -141.18 152.97 45.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 32.6 mt -137.4 137.54 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.908 1.283 . . . . 0.0 108.883 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.46 -137.61 48.8 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.796 -0.521 . . . . 0.0 111.796 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -124.68 10.04 8.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.334 1.054 . . . . 0.0 111.473 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -138.56 -8.0 1.47 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.54 136.21 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.911 0.778 . . . . 0.0 110.726 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.8 m -130.29 143.84 51.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.472 1.109 . . . . 0.0 110.151 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -125.95 138.22 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.275 1.43 . . . . 0.0 108.328 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 78.4 m -135.16 129.47 33.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.05 0.54 . . . . 0.0 109.873 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.1 111.13 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.92 -32.39 51.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.023 0.529 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.05 -171.3 35.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 123.592 0.615 . . . . 0.0 113.399 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 m -123.05 159.68 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 123.873 0.869 . . . . 0.0 112.111 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -147.14 89.84 1.84 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.132 1.373 . . . . 0.0 109.012 169.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.19 -113.32 4.85 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -91.4 -20.52 21.71 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.466 0.633 . . . . 0.0 111.786 175.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -71.67 136.3 47.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.552 0.741 . . . . 0.0 109.534 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.63 117.98 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -95.04 107.63 19.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.416 1.486 . . . . 0.0 107.372 -171.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.9 135.98 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.847 0.859 . . . . 0.0 110.959 -167.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.86 142.17 15.81 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.227 0.918 . . . . 0.0 111.689 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -132.4 132.57 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.565 1.546 . . . . 0.0 108.626 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -134.67 101.47 4.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.44 155.25 77.17 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.682 1.193 . . . . 0.0 110.515 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 157.03 45.35 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.87 2.38 . . . . 0.0 112.149 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.11 -0.93 10.73 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.91 -23.32 66.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.453 1.101 . . . . 0.0 111.702 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.01 157.63 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 110.527 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.49 157.93 16.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.871 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 127.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.99 0.516 . . . . 0.0 110.345 169.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -150.11 169.38 21.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.63 1.172 . . . . 0.0 109.258 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -81.59 165.8 20.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.654 -0.654 . . . . 0.0 110.731 170.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.39 -28.21 69.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -169.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.44 -45.07 89.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.332 1.053 . . . . 0.0 111.94 173.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.58 -34.61 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 123.73 0.812 . . . . 0.0 109.768 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -53.21 -30.96 40.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.305 1.042 . . . . 0.0 112.867 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -59.72 -21.83 61.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.992 1.317 . . . . 0.0 113.089 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.03 -52.58 9.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.367 0.667 . . . . 0.0 111.643 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.49 -63.02 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 127.367 2.267 . . . . 0.0 113.719 -168.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.097 0.959 . . . . 0.0 113.206 -170.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -96.77 150.38 20.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.775 0.43 . . . . 0.0 111.4 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -130.25 137.98 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -131.79 159.94 37.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.526 1.13 . . . . 0.0 110.261 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.79 96.96 5.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -106.54 131.6 53.52 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.952 1.701 . . . . 0.0 109.428 -174.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -98.21 167.77 10.66 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 120.364 1.438 . . . . 0.0 113.072 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -55.99 135.79 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.987 -171.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.64 77.26 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.305 0.955 . . . . 0.0 113.764 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -95.54 174.64 6.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.477 1.138 . . . . 0.0 111.948 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -136.33 159.57 41.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 61.1 mt -137.73 157.48 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.416 1.886 . . . . 0.0 108.536 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -133.21 148.15 52.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 112.311 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.83 139.56 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.347 1.059 . . . . 0.0 109.062 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.14 -134.73 52.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -128.26 10.08 6.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.135 0.974 . . . . 0.0 112.366 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.32 -15.76 4.06 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -106.85 136.34 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.089 0.859 . . . . 0.0 110.746 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -132.49 141.48 48.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.449 1.1 . . . . 0.0 110.09 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -122.29 143.05 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.404 1.482 . . . . 0.0 108.376 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -136.38 129.8 31.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.244 0.617 . . . . 0.0 110.05 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -85.87 107.52 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.18 -29.23 42.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.801 -0.562 . . . . 0.0 111.418 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.8 35.72 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 123.0 0.334 . . . . 0.0 113.431 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.2 156.28 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 123.279 0.632 . . . . 0.0 111.679 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -150.07 106.72 3.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.379 1.072 . . . . 0.0 108.766 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.5 -117.7 7.92 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -96.31 -13.81 23.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 117.294 0.547 . . . . 0.0 111.51 171.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . 0.404 ' OE1' ' HE3' ' E' ' 7' ' ' LYS . 3.5 mp0 -76.54 144.89 39.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.762 0.792 . . . . 0.0 109.869 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.7 t -131.14 115.65 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -87.08 130.12 34.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.861 0.864 . . . . 0.0 108.943 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -135.22 143.76 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.366 0.666 . . . . 0.0 110.787 -167.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.4 137.16 13.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -125.39 134.85 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.259 1.024 . . . . 0.0 108.77 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -136.58 102.62 4.98 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.023 0.529 . . . . 0.0 110.098 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.47 159.24 73.34 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.102 0.961 . . . . 0.0 111.157 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.81 162.76 27.34 Favored 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 122.855 2.37 . . . . 0.0 112.106 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.43 -7.52 19.95 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.755 0.822 . . . . 0.0 112.783 169.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.9 -22.06 66.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.565 1.546 . . . . 0.0 112.342 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -128.01 161.78 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.046 0.938 . . . . 0.0 111.125 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 163.67 13.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.132 0.573 . . . . 0.0 111.485 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.0 120.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.52 0.728 . . . . 0.0 110.113 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -153.61 173.99 15.05 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.905 0.882 . . . . 0.0 110.441 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 159.68 28.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.63 -20.91 66.49 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -169.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.64 -43.37 84.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.693 0.797 . . . . 0.0 111.717 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mm -86.63 -30.8 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 123.547 0.739 . . . . 0.0 109.638 -174.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -53.63 -34.81 59.81 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.842 0.857 . . . . 0.0 112.814 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.75 -21.88 66.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.545 0.738 . . . . 0.0 112.403 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.75 -25.13 28.48 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.329 0.652 . . . . 0.0 111.045 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mm . . . . . 0 N--CA 1.455 -0.194 0 C-N-CA 123.617 0.767 . . . . 0.0 109.556 171.754 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.73 115.68 30.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.811 . . . . 0.0 110.061 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.64 134.92 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.601 0.76 . . . . 0.0 109.771 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.8 mt -134.99 158.75 43.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.841 1.256 . . . . 0.0 110.034 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.8 m -127.98 119.27 25.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.681 0.792 . . . . 0.0 110.258 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -131.22 138.45 49.37 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.701 0.682 . . . . 0.0 111.459 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.2 159.43 20.11 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 118.791 0.723 . . . . 0.0 110.106 168.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -41.07 128.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.561 0.745 . . . . 0.0 110.916 169.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.63 -5.0 61.99 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.162 0.887 . . . . 0.0 114.543 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -96.63 167.4 11.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.885 1.342 . . . . 0.0 111.89 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -136.85 147.28 46.43 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 25.5 mm -112.09 154.39 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 125.434 1.494 . . . . 0.0 110.057 169.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -125.48 133.41 52.41 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.365 1.066 . . . . 0.0 110.438 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 mm -121.96 126.51 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.877 1.271 . . . . 0.0 109.413 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.86 -126.9 30.04 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.95 -0.24 5.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.874 0.87 . . . . 0.0 112.176 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -133.68 -17.52 2.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -169.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -110.89 133.83 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.135 0.88 . . . . 0.0 110.453 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -128.14 144.38 51.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.729 0.812 . . . . 0.0 109.713 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.82 139.57 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.864 1.266 . . . . 0.0 108.399 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -135.51 132.15 36.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 110.389 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -80.75 95.6 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.02 -31.48 71.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.97 -170.14 43.0 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 123.153 0.406 . . . . 0.0 112.721 169.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.38 159.27 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.513 0.725 . . . . 0.0 111.666 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -137.97 72.62 1.42 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.726 1.21 . . . . 0.0 109.369 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -118.08 7.82 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -79.77 -2.77 44.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 111.979 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -98.92 154.64 17.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.913 0.863 . . . . 0.0 111.858 170.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.96 117.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.045 1.738 . . . . 0.0 108.264 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -105.32 101.9 11.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 110.542 -170.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.6 mt -107.37 134.42 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.059 1.344 . . . . 0.0 109.655 -171.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.52 137.72 13.75 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -110.06 133.34 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 125.186 1.394 . . . . 0.0 108.251 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -119.55 75.49 1.07 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.736 1.214 . . . . 0.0 109.184 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.46 153.23 44.25 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.321 1.448 . . . . 0.0 110.559 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.79 153.32 58.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.428 2.086 . . . . 0.0 110.515 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -66.85 -6.85 17.9 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -67.72 -25.73 65.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 112.229 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.4 144.02 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.847 0.832 . . . . 0.0 111.88 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.56 143.07 40.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.406 1.082 . . . . 0.0 111.407 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -129.27 121.04 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.513 0.725 . . . . 0.0 109.606 170.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -149.49 169.23 21.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.666 0.786 . . . . 0.0 111.151 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -104.19 164.38 11.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.401 0.281 . . . . 0.0 111.634 169.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -23.98 66.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.6 -23.95 66.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.914 0.886 . . . . 0.0 112.014 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -119.31 -28.94 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.629 1.172 . . . . 0.0 110.833 -169.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.35 -33.1 74.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.385 -0.822 . . . . 0.0 110.441 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -75.05 -15.82 60.61 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.496 0.718 . . . . 0.0 111.657 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -39.22 36.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.024 0.93 . . . . 0.0 110.731 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.714 0.806 . . . . 0.0 109.34 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -175.466 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.6 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.416 -0.325 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.77 121.64 45.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.19 138.97 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.639 0.375 . . . . 0.0 111.875 -165.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -135.55 126.61 27.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.37 1.068 . . . . 0.0 110.688 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.4 m -87.38 102.09 14.19 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.113 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.9 167.44 11.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.201 1.401 . . . . 0.0 109.609 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -132.08 162.38 30.95 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.513 0.597 . . . . 0.0 110.954 167.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -62.84 129.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.035 -169.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -5.0 71.21 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 118.985 -0.897 . . . . 0.0 114.763 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.01 169.48 13.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -135.81 157.41 46.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.322 0.649 . . . . 0.0 112.215 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.2 mt -129.0 153.71 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.157 1.783 . . . . 0.0 109.612 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -134.1 135.71 43.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.859 0.864 . . . . 0.0 110.393 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.1 mt -131.61 128.96 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.853 0.861 . . . . 0.0 109.703 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -133.31 52.74 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -172.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -129.23 4.98 5.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.646 0.778 . . . . 0.0 112.866 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -111.29 -19.09 12.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.04 135.68 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 119.067 0.849 . . . . 0.0 111.269 -169.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.41 148.77 52.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.726 1.21 . . . . 0.0 109.569 169.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -128.69 144.89 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.82 1.648 . . . . 0.0 107.87 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -135.5 128.85 32.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.825 0.45 . . . . 0.0 109.979 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -86.19 94.55 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -67.23 -32.6 73.74 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.09 -0.381 . . . . 0.0 111.268 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.95 -179.06 36.66 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-O 120.811 0.117 . . . . 0.0 112.897 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.79 151.94 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.484 0.659 . . . . 0.0 110.732 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -130.06 71.84 1.46 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.468 1.507 . . . . 0.0 107.657 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.88 -119.81 5.16 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -170.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.444 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -101.1 11.76 38.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 122.098 -0.648 . . . . 0.0 111.502 173.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.96 153.68 18.65 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.827 1.251 . . . . 0.0 108.959 169.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 t -137.79 119.06 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.043 0.537 . . . . 0.0 109.927 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.88 120.31 30.17 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 125.008 1.323 . . . . 0.0 109.69 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.17 129.61 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.243 1.017 . . . . 0.0 109.671 -170.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.26 15.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 56.7 mt -125.39 130.45 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.841 0.856 . . . . 0.0 109.259 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -130.27 77.68 1.8 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.618 -1.173 . . . . 0.0 109.39 -168.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.99 158.28 66.49 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.726 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' B' ' 39' ' ' ASP . 24.5 Cg_endo -63.38 155.42 62.29 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.919 1.746 . . . . 0.0 110.832 168.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -68.5 -0.59 5.21 Favored 'General case' 0 C--N 1.334 -0.077 0 C-N-CA 124.49 1.116 . . . . 0.0 113.189 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' B' ' 37' ' ' PRO . 1.2 t70 -65.82 -23.08 66.61 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.666 169.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.86 144.11 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.713 1.205 . . . . 0.0 109.804 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.487 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -86.52 143.0 27.93 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.297 0.57 . . . . 0.0 111.116 170.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 t -142.43 96.54 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.73 -166.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.487 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.1 OUTLIER -146.91 161.61 40.38 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.381 0.672 . . . . 0.0 111.735 178.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 11.9 ptt180 -65.07 157.15 29.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.548 0.739 . . . . 0.0 111.395 169.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -56.58 -40.93 76.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.334 0.654 . . . . 0.0 112.396 -173.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -69.11 -4.36 17.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mm -104.02 -50.65 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.019 0.928 . . . . 0.0 109.925 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -50.26 -37.1 34.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.873 1.269 . . . . 0.0 112.107 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -69.86 -22.24 63.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.2 -41.5 34.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.034 0.834 . . . . 0.0 110.375 169.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.6 mt -64.9 -38.67 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.334 0.654 . . . . 0.0 109.403 -174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -80.7 5.0 16.95 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.68 -19.9 37.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.335 0.654 . . . . 0.0 111.779 169.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.95 47.64 0.07 OUTLIER Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.49 -0.617 . . . . 0.0 114.446 169.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -168.98 -176.57 2.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.818 0.809 . . . . 0.0 112.706 -168.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.6 p -126.9 -177.34 3.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.404 1.481 . . . . 0.0 109.537 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.99 121.48 2.41 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.276 1.031 . . . . 0.0 111.561 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -65.5 171.49 9.34 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.028 1.819 . . . . 0.0 114.621 -169.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.695 -176.314 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.88 110.75 23.15 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.79 133.14 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.458 0.703 . . . . 0.0 109.511 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.68 140.14 52.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.919 0.888 . . . . 0.0 110.181 169.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.2 p -107.16 132.83 52.6 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.713 0.805 . . . . 0.0 111.044 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.13 143.38 29.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.065 0.546 . . . . 0.0 111.276 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -82.8 166.22 19.2 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.857 0.863 . . . . 0.0 109.617 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.81 142.45 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 O-C-N 121.371 -0.831 . . . . 0.0 111.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.03 -2.99 82.42 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.933 1.254 . . . . 0.0 114.695 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.39 -177.76 6.84 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.527 1.664 . . . . 0.0 112.611 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.9 m -141.04 146.68 37.52 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.56 1.144 . . . . 0.0 112.472 -167.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -139.53 145.56 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 125.868 1.667 . . . . 0.0 108.902 -175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -122.52 142.72 50.29 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.835 0.854 . . . . 0.0 111.667 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -135.04 137.88 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.708 1.203 . . . . 0.0 109.415 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -132.93 49.46 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -170.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -129.63 10.04 5.56 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.696 0.798 . . . . 0.0 111.257 169.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.5 -7.82 5.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.527 1.131 . . . . 0.0 112.733 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.21 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.678 0.791 . . . . 0.0 110.471 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.4 m -129.68 136.43 49.7 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.219 1.008 . . . . 0.0 109.386 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -114.3 136.51 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.109 0.964 . . . . 0.0 108.557 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -121.51 136.8 54.93 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.122 0.969 . . . . 0.0 109.984 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -96.09 118.64 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.1 -38.55 12.69 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.99 -174.77 42.3 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.722 -0.751 . . . . 0.0 114.142 168.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -121.98 146.83 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.384 0.674 . . . . 0.0 111.145 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -143.43 111.16 5.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -142.07 29.72 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.137 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.46 3.52 39.87 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.318 1.047 . . . . 0.0 110.779 168.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.18 139.31 30.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.895 1.678 . . . . 0.0 110.347 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -130.8 113.66 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -170.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.73 111.1 15.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.695 0.679 . . . . 0.0 109.212 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -113.46 132.82 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.433 1.493 . . . . 0.0 109.146 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.51 145.09 16.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.353 0.977 . . . . 0.0 111.722 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.7 mt -128.18 121.04 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.537 1.135 . . . . 0.0 108.716 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -115.71 102.45 9.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.554 0.742 . . . . 0.0 109.619 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 155.26 63.44 Favored Pre-proline 0 N--CA 1.452 -0.371 0 C-N-CA 124.118 0.967 . . . . 0.0 109.846 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.34 154.11 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.766 2.311 . . . . 0.0 111.363 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -66.04 -0.98 2.69 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.96 -22.06 66.46 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.39 0.676 . . . . 0.0 111.439 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -123.11 146.84 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.068 0.947 . . . . 0.0 110.641 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.9 153.77 22.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.776 0.431 . . . . 0.0 110.952 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -136.65 131.73 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.109 0.564 . . . . 0.0 109.967 171.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -156.6 164.63 37.97 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -75.71 157.65 33.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 165.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.32 -32.92 70.51 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.75 -44.27 81.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.767 0.827 . . . . 0.0 111.712 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.26 -29.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.359 0.664 . . . . 0.0 110.793 -171.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -51.52 -36.32 44.26 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.601 0.76 . . . . 0.0 112.363 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.69 -29.67 69.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.503 0.721 . . . . 0.0 112.395 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.95 -38.35 76.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.207 0.603 . . . . 0.0 111.565 174.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.455 -0.218 0 O-C-N 122.106 -0.371 . . . . 0.0 110.041 179.125 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -112.69 112.26 23.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.655 1.582 . . . . 0.0 109.271 170.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.97 139.45 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.028 1.331 . . . . 0.0 109.495 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.19 154.91 34.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.839 0.856 . . . . 0.0 110.96 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -84.33 146.84 27.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.089 -0.382 . . . . 0.0 110.863 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -136.93 133.6 35.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.536 0.735 . . . . 0.0 110.305 173.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -82.53 155.96 24.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.032 0.378 . . . . 0.0 110.545 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -50.52 136.99 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.614 170.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.02 -6.82 82.99 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.075 0.845 . . . . 0.0 114.311 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.62 174.48 7.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.875 1.337 . . . . 0.0 111.665 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -134.38 159.23 41.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.606 0.717 . . . . 0.0 112.831 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.6 mt -138.47 158.98 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 127.044 2.138 . . . . 0.0 108.398 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -139.03 147.84 42.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.989 0.915 . . . . 0.0 111.689 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.7 mt -136.5 134.01 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.636 1.174 . . . . 0.0 109.298 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.14 -137.46 50.31 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.78 1.03 11.0 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.708 0.803 . . . . 0.0 112.342 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -129.62 -9.46 4.54 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -171.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.5 134.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.914 0.779 . . . . 0.0 110.747 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -128.39 147.27 50.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.431 1.092 . . . . 0.0 109.91 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -130.32 142.68 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.667 1.587 . . . . 0.0 108.067 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -137.37 128.68 28.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.42 93.71 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.48 -33.74 76.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 110.742 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.58 -178.62 43.79 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 121.3 0.389 . . . . 0.0 113.386 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 p -126.36 127.72 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.202 1.401 . . . . 0.0 109.285 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -130.17 84.57 2.21 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.532 1.133 . . . . 0.0 109.038 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.73 -113.93 5.06 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -170.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -95.26 -8.25 36.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.825 0.85 . . . . 0.0 110.503 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.8 151.85 37.44 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.736 0.779 . . . . 0.0 112.065 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -128.79 115.6 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 113.632 -1.622 . . . . 0.0 107.223 169.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -94.58 111.56 23.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.911 1.284 . . . . 0.0 108.47 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.98 125.21 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 122.969 0.508 . . . . 0.0 110.83 -168.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.35 135.97 13.42 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.39 137.78 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -137.95 95.4 3.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.46 154.24 80.74 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 124.56 1.144 . . . . 0.0 109.351 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -59.95 149.75 82.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.197 1.931 . . . . 0.0 110.725 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.07 -2.9 6.11 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.98 -22.45 66.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.802 1.241 . . . . 0.0 111.677 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.08 159.78 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.226 1.01 . . . . 0.0 110.669 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.29 157.07 16.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.149 0.579 . . . . 0.0 112.27 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.51 126.79 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 121.756 -0.59 . . . . 0.0 110.29 168.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -149.31 164.38 35.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 110.576 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -75.75 157.16 33.87 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.028 -0.42 . . . . 0.0 110.414 168.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -56.84 -36.41 69.96 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.878 0.871 . . . . 0.0 112.284 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -56.36 -45.96 80.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.495 0.718 . . . . 0.0 111.526 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -78.88 -40.96 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.92 0.888 . . . . 0.0 110.221 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.65 -42.53 24.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.047 0.939 . . . . 0.0 111.948 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.35 -21.38 59.73 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.258 1.023 . . . . 0.0 113.086 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -83.35 -33.48 25.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.454 -0.259 0 C-N-CA 125.477 1.511 . . . . 0.0 108.608 169.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ptm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.62 143.18 32.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.941 1.696 . . . . 0.0 109.346 175.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.5 141.23 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.099 0.96 . . . . 0.0 110.119 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -136.62 164.26 28.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.89 1.676 . . . . 0.0 110.779 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -137.95 97.19 3.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.54 144.67 40.4 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.853 1.261 . . . . 0.0 111.805 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -84.31 161.23 20.52 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.748 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.17 139.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.77 0.319 . . . . 0.0 111.275 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -4.09 86.47 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 119.293 -0.726 . . . . 0.0 114.089 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -88.13 174.34 8.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.757 1.279 . . . . 0.0 111.908 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -139.1 157.18 46.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.521 0.677 . . . . 0.0 112.24 -173.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -140.57 158.05 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 126.73 2.012 . . . . 0.0 107.619 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.97 152.05 49.71 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.452 -0.78 . . . . 0.0 113.035 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -137.24 137.94 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.951 1.3 . . . . 0.0 109.048 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.27 -136.56 49.51 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -125.18 10.0 8.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.298 1.039 . . . . 0.0 111.483 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.32 -8.35 1.31 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -117.68 135.25 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.061 0.846 . . . . 0.0 110.762 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.7 m -127.89 143.7 51.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.584 1.154 . . . . 0.0 110.136 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -122.39 138.5 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.365 1.466 . . . . 0.0 108.25 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -133.72 126.78 31.44 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.034 0.534 . . . . 0.0 109.935 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.22 107.88 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.05 -30.48 62.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.756 0.422 . . . . 0.0 110.429 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.23 -174.34 31.2 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.545 0.593 . . . . 0.0 113.085 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 m -112.72 159.82 12.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.522 0.729 . . . . 0.0 111.927 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -146.89 89.92 1.86 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.075 1.35 . . . . 0.0 109.072 170.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.89 -111.32 4.04 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -94.5 -19.15 20.8 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.386 0.593 . . . . 0.0 111.551 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.46 146.74 50.1 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.273 0.558 . . . . 0.0 110.395 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -135.76 113.69 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -88.12 124.03 33.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.1 129.99 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.441 0.696 . . . . 0.0 110.587 -168.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.18 139.43 14.68 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 124.183 0.897 . . . . 0.0 111.255 170.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -131.74 127.64 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.864 1.266 . . . . 0.0 108.785 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.17 98.99 4.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 155.06 78.61 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.647 1.179 . . . . 0.0 110.701 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.44 157.95 43.41 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 122.949 2.433 . . . . 0.0 112.007 171.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -72.15 -1.0 13.37 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.435 0.694 . . . . 0.0 112.592 173.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.59 -23.0 66.13 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.665 1.186 . . . . 0.0 111.857 169.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.39 160.99 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.966 0.907 . . . . 0.0 110.838 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.01 156.11 16.45 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.234 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.03 125.69 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.024 0.53 . . . . 0.0 110.2 168.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -150.5 166.69 29.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.2 1.0 . . . . 0.0 110.165 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -79.14 162.17 25.98 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.786 -0.571 . . . . 0.0 109.959 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.15 -21.88 62.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.94 -48.84 70.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.011 0.924 . . . . 0.0 111.638 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.0 -32.42 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.384 0.673 . . . . 0.0 109.85 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -53.54 -37.82 63.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.415 0.686 . . . . 0.0 112.189 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -66.89 -22.08 65.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -74.07 -23.0 59.3 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.537 0.735 . . . . 0.0 111.31 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.29 -40.48 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 112.333 178.71 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -96.78 148.96 22.37 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.808 0.443 . . . . 0.0 111.26 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.31 124.95 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.87 155.68 28.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.693 1.597 . . . . 0.0 109.644 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.81 108.41 11.45 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 168.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 125.85 48.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.69 1.196 . . . . 0.0 110.197 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.74 165.78 12.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.571 1.078 . . . . 0.0 112.571 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.48 134.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.434 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.08 -3.33 76.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.312 0.958 . . . . 0.0 114.161 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -97.91 171.74 8.09 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.485 1.143 . . . . 0.0 111.542 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -133.37 156.85 46.91 Favored 'General case' 0 C--N 1.338 0.109 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -168.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -136.97 156.43 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.758 2.023 . . . . 0.0 108.158 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -131.97 149.11 52.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.439 -0.788 . . . . 0.0 112.293 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -136.29 141.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.51 1.124 . . . . 0.0 109.034 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.83 47.26 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -173.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -121.7 10.08 10.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.075 0.95 . . . . 0.0 112.485 173.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -132.98 -22.58 2.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.7 137.84 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.258 0.935 . . . . 0.0 110.958 -170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -126.13 141.72 51.82 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.155 0.982 . . . . 0.0 110.28 174.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.13 138.6 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.487 1.515 . . . . 0.0 108.328 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.79 128.32 32.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.124 0.57 . . . . 0.0 109.886 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.08 107.7 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.49 -28.99 37.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.311 0.644 . . . . 0.0 111.078 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.68 -172.26 35.52 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 123.289 0.471 . . . . 0.0 112.931 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.86 149.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.242 0.617 . . . . 0.0 111.346 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -138.59 89.93 2.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.87 1.268 . . . . 0.0 108.686 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.49 -125.8 34.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 -171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.13 -17.87 54.26 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.96 143.59 37.49 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.42 0.629 . . . . 0.0 110.265 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.63 120.98 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 ttm105 -90.77 124.16 34.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.935 0.894 . . . . 0.0 108.93 -173.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.26 139.59 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.448 0.699 . . . . 0.0 110.333 -167.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.72 140.59 16.44 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.138 0.875 . . . . 0.0 111.013 173.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.76 135.36 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.107 0.963 . . . . 0.0 109.552 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -129.01 104.35 7.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.028 0.931 . . . . 0.0 109.286 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.38 158.77 63.02 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 111.342 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.43 161.88 36.18 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.845 2.363 . . . . 0.0 111.882 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -62.69 -18.13 61.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.845 0.858 . . . . 0.0 112.498 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.58 -18.25 64.93 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.144 1.378 . . . . 0.0 113.094 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -128.77 161.3 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.549 0.739 . . . . 0.0 111.244 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.33 163.76 13.12 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.255 0.622 . . . . 0.0 111.783 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.04 125.04 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.496 0.719 . . . . 0.0 110.243 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.06 178.41 9.48 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.186 0.995 . . . . 0.0 110.764 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -71.77 160.95 31.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 169.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.37 -26.53 68.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.452 0.301 . . . . 0.0 111.73 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.31 -43.76 98.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.826 0.85 . . . . 0.0 111.637 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -84.7 -31.28 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.55 0.74 . . . . 0.0 109.636 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -52.91 -34.51 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.917 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.59 -23.99 66.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.204 0.602 . . . . 0.0 112.327 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.19 -24.14 32.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.321 0.648 . . . . 0.0 111.023 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mm . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.79 0.836 . . . . 0.0 109.241 169.949 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.1 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.113 -0.47 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.61 114.26 25.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.669 0.788 . . . . 0.0 109.686 -176.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.11 134.9 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.582 0.753 . . . . 0.0 109.282 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -131.68 162.22 30.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.239 1.016 . . . . 0.0 109.691 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -122.75 118.48 28.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.2 133.04 50.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.246 0.618 . . . . 0.0 111.366 -167.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 153.3 18.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.168 0.44 . . . . 0.0 110.723 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -44.71 125.23 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.321 0.649 . . . . 0.0 110.647 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 -16.56 60.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.208 0.909 . . . . 0.0 114.295 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -85.39 171.99 11.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.095 1.448 . . . . 0.0 112.053 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -142.0 160.21 40.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -169.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mm -127.84 157.38 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.971 2.108 . . . . 0.0 108.454 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -129.78 141.25 50.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.803 1.241 . . . . 0.0 110.523 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt -134.94 134.86 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.294 1.038 . . . . 0.0 109.227 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.4 -131.55 35.28 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -125.2 -1.45 7.67 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.004 0.922 . . . . 0.0 112.334 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.47 -15.79 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.55 137.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 118.706 0.685 . . . . 0.0 110.622 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -134.98 141.91 46.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.113 0.965 . . . . 0.0 109.686 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -123.62 139.53 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.676 1.19 . . . . 0.0 108.572 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 m -135.62 135.43 40.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.446 0.699 . . . . 0.0 109.858 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -85.37 98.68 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -26.5 63.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.922 -0.486 . . . . 0.0 110.12 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.46 -173.86 41.91 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 118.233 0.469 . . . . 0.0 114.008 168.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.02 154.14 39.69 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 C-N-CA 123.765 0.826 . . . . 0.0 111.919 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 m -141.51 63.09 1.44 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.823 1.249 . . . . 0.0 109.986 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.4 -127.67 8.49 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -169.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -79.63 -11.73 59.85 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -98.74 129.43 45.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.914 1.34 . . . . 0.0 110.473 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.35 121.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.329 -167.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -90.8 101.89 14.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mt -107.56 131.21 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.653 1.181 . . . . 0.0 109.311 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.18 135.23 12.21 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.85 135.25 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.062 1.345 . . . . 0.0 108.103 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -125.41 75.04 1.43 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.336 1.054 . . . . 0.0 109.049 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.57 154.92 42.12 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.101 1.36 . . . . 0.0 111.009 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.46 153.57 55.34 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.532 2.154 . . . . 0.0 110.443 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -69.04 -3.51 13.4 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -69.55 -24.92 63.78 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.891 0.876 . . . . 0.0 111.942 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.08 144.05 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.795 0.807 . . . . 0.0 111.711 173.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 143.0 29.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.122 0.969 . . . . 0.0 110.713 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -131.8 125.26 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.707 0.403 . . . . 0.0 110.389 174.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -153.21 156.8 39.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.679 0.792 . . . . 0.0 110.228 -173.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -84.71 164.2 18.72 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 170.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.499 1.12 . . . . 0.0 111.667 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.14 -12.49 40.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 112.648 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.85 -26.37 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.45 1.1 . . . . 0.0 111.536 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.7 -32.28 73.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.921 0.782 . . . . 0.0 110.976 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -75.09 -14.57 60.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.085 0.554 . . . . 0.0 112.209 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.54 -30.84 52.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.739 0.816 . . . . 0.0 111.001 169.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -71.23 -54.29 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.884 0.874 . . . . 0.0 109.393 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 . . . . . 0 N--CA 1.452 -0.342 0 C-N-CA 123.719 0.807 . . . . 0.0 111.586 -174.112 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.844 -0.122 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.33 122.25 43.36 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.344 1.457 . . . . 0.0 107.62 169.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -119.69 139.43 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -164.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -143.05 141.28 31.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.795 1.238 . . . . 0.0 111.84 -171.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -91.2 127.45 36.63 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 166.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.07 114.94 18.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 110.165 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -82.67 149.18 27.5 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.14 131.52 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 121.131 0.491 . . . . 0.0 111.153 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.01 -8.93 65.47 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.143 -0.809 . . . . 0.0 114.807 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -85.22 168.25 14.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 1.402 . . . . 0.0 111.733 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -132.65 155.75 48.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.759 0.824 . . . . 0.0 112.434 -169.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 33.3 mt -137.02 156.77 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.72 1.608 . . . . 0.0 109.786 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -135.3 141.99 45.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.107 0.963 . . . . 0.0 111.204 -173.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 80.0 mt -134.56 127.58 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.279 1.032 . . . . 0.0 109.441 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.75 -134.24 52.42 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -174.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.92 5.01 5.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.703 0.801 . . . . 0.0 112.759 173.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -112.1 -19.72 12.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.46 136.94 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 118.967 0.803 . . . . 0.0 111.425 -169.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.5 m -131.03 148.56 52.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.956 1.302 . . . . 0.0 109.674 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -130.07 145.2 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.739 1.616 . . . . 0.0 108.393 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -137.54 133.11 34.14 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.994 0.517 . . . . 0.0 110.217 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.67 93.92 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.48 -32.62 74.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.033 -0.417 . . . . 0.0 110.997 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.1 -174.32 36.85 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 169.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -111.14 147.62 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.409 0.623 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -122.81 71.95 1.06 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.559 1.543 . . . . 0.0 108.013 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.36 -122.27 5.76 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.477 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -96.82 10.44 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.066 -0.667 . . . . 0.0 111.484 172.632 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.44 158.41 15.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.346 167.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 t -140.26 117.86 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.085 0.554 . . . . 0.0 109.775 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -87.37 121.27 29.59 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.123 0.969 . . . . 0.0 109.656 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.13 131.43 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.162 0.985 . . . . 0.0 109.8 -169.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 139.71 14.64 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -125.22 130.67 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.836 0.855 . . . . 0.0 109.103 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -131.16 80.24 1.93 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.473 -168.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.0 157.39 72.15 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.85 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.52 157.22 37.63 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 122.119 1.879 . . . . 0.0 111.602 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -71.11 -0.93 10.72 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.837 0.855 . . . . 0.0 112.308 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.89 -23.65 66.68 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.34 1.456 . . . . 0.0 111.887 169.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -114.26 144.13 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.331 1.052 . . . . 0.0 110.274 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.541 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -86.99 142.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.269 0.556 . . . . 0.0 111.711 171.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.74 97.42 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.673 -166.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.541 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.4 OUTLIER -147.43 166.3 27.62 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 124.252 1.021 . . . . 0.0 111.944 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 36.0 ptt-85 -71.73 163.57 27.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 122.877 0.471 . . . . 0.0 111.508 169.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.38 -46.52 62.82 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.475 0.71 . . . . 0.0 112.359 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.26 -44.15 33.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.43 0.692 . . . . 0.0 110.905 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mm -81.21 -48.67 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.962 1.305 . . . . 0.0 110.177 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.83 -39.03 37.37 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.753 1.221 . . . . 0.0 111.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -28.23 68.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.149 0.98 . . . . 0.0 112.994 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -77.45 -43.96 30.59 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 118.976 0.807 . . . . 0.0 109.94 172.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.77 -37.3 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.211 0.605 . . . . 0.0 109.47 -172.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -81.28 1.33 32.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.21 -13.53 58.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.654 0.782 . . . . 0.0 112.273 170.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.45 47.81 0.17 Allowed Glycine 0 CA--C 1.525 0.704 0 CA-C-O 119.719 -0.49 . . . . 0.0 113.774 169.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.46 -177.52 3.2 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 117.471 0.635 . . . . 0.0 112.337 -168.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 54.0 p -129.68 -174.45 3.3 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.177 1.391 . . . . 0.0 109.425 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.58 120.13 2.53 Favored Pre-proline 0 N--CA 1.454 -0.254 0 C-N-CA 123.846 0.858 . . . . 0.0 110.987 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 -47.0 29.45 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.483 2.789 . . . . 0.0 113.362 -169.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 124.145 0.978 . . . . 0.0 109.889 -171.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.88 107.23 18.08 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.53 132.48 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.318 0.647 . . . . 0.0 109.287 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.65 135.73 51.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.895 0.878 . . . . 0.0 109.836 169.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -97.98 145.32 26.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.127 0.571 . . . . 0.0 110.919 170.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.16 156.8 43.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.206 1.002 . . . . 0.0 110.756 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.0 tptm -97.32 158.58 15.39 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 124.691 1.196 . . . . 0.0 109.625 170.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.38 139.06 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.945 0.793 . . . . 0.0 111.691 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.85 -3.86 85.86 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.614 1.102 . . . . 0.0 114.726 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -85.61 -177.17 6.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.493 1.646 . . . . 0.0 113.027 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.9 m -141.25 147.68 38.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.511 1.124 . . . . 0.0 113.11 -165.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -139.22 151.31 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.06 2.144 . . . . 0.0 107.755 -174.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -134.3 144.7 48.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.835 0.854 . . . . 0.0 111.258 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.06 132.25 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.414 1.086 . . . . 0.0 109.055 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.91 -134.48 49.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.27 7.59 5.44 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.743 0.817 . . . . 0.0 111.856 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -115.13 -13.82 11.79 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 124.155 0.982 . . . . 0.0 113.014 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.95 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.726 0.694 . . . . 0.0 110.747 -173.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -130.55 140.75 50.47 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.48 1.112 . . . . 0.0 109.501 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -124.7 136.79 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.06 1.344 . . . . 0.0 108.227 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -128.29 138.08 52.25 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.708 -0.62 . . . . 0.0 110.337 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -91.16 114.14 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 168.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -87.95 -35.02 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.92 -173.39 39.13 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.708 -0.282 . . . . 0.0 113.062 167.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.43 162.49 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 121.565 0.697 . . . . 0.0 111.937 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.5 m -142.61 70.1 1.32 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.303 1.841 . . . . 0.0 108.034 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.59 -109.77 3.07 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 -168.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.3 -6.72 37.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -94.5 160.09 14.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.893 0.854 . . . . 0.0 112.313 172.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.08 108.9 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.594 1.558 . . . . 0.0 107.049 -168.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -75.25 110.16 9.36 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -107.09 130.81 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.29 1.436 . . . . 0.0 109.881 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.99 141.48 15.72 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 110.721 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.96 125.03 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -129.67 96.17 4.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -169.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.59 154.57 66.55 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 124.327 1.051 . . . . 0.0 110.032 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 152.89 77.49 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.656 2.237 . . . . 0.0 111.194 172.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.88 -1.01 3.45 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.313 0.645 . . . . 0.0 112.466 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.84 -22.83 66.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.346 1.058 . . . . 0.0 111.228 168.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -124.78 151.41 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.342 1.057 . . . . 0.0 110.698 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 155.67 19.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.735 0.414 . . . . 0.0 111.51 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 m -139.0 132.16 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 123.152 0.581 . . . . 0.0 109.707 170.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -157.3 166.4 33.23 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 84.9 mtm-85 -69.51 153.57 43.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 165.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.96 -32.5 72.03 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.241 -0.287 . . . . 0.0 111.69 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.02 -45.56 83.01 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.147 0.979 . . . . 0.0 111.886 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.39 -32.94 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.365 0.666 . . . . 0.0 110.839 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -50.86 -40.03 55.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.269 1.028 . . . . 0.0 112.098 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -60.24 -28.54 68.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.389 0.676 . . . . 0.0 112.298 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -71.98 -41.29 67.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.306 0.642 . . . . 0.0 111.754 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.192 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 69.2 mmm . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -134.97 110.62 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.278 1.831 . . . . 0.0 106.524 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.82 138.21 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.571 1.148 . . . . 0.0 109.516 -169.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.04 156.9 30.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.215 0.606 . . . . 0.0 111.654 175.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 70.6 p -91.77 148.3 22.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.158 0.504 . . . . 0.0 111.66 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.69 135.75 45.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.117 0.967 . . . . 0.0 108.634 167.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 63.0 mttt -84.19 158.56 21.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.476 168.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 m -54.58 124.19 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 111.415 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.56 -3.23 53.52 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.167 0.889 . . . . 0.0 114.024 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -95.24 170.71 9.2 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.503 1.152 . . . . 0.0 112.04 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -134.32 161.56 34.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -136.68 151.49 27.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 128.088 2.555 . . . . 0.0 108.301 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -119.54 149.48 41.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.889 0.876 . . . . 0.0 111.83 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.7 mt -134.02 134.16 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.93 1.292 . . . . 0.0 109.338 173.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.72 -129.94 42.39 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -130.05 4.23 4.86 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.99 0.916 . . . . 0.0 111.715 172.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -132.26 -8.97 3.36 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.77 133.05 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.76 0.709 . . . . 0.0 110.34 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -129.37 144.56 51.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.842 0.857 . . . . 0.0 109.91 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -126.14 144.56 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.954 1.302 . . . . 0.0 108.336 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -137.03 129.57 30.11 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.483 0.713 . . . . 0.0 109.468 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.83 109.95 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 mt -80.92 -36.12 31.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.349 0.66 . . . . 0.0 111.007 -168.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 -178.16 45.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 170.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.01 157.71 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.323 0.649 . . . . 0.0 109.869 168.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -141.61 76.95 1.57 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.86 -116.4 4.27 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -172.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.484 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -92.77 -4.2 53.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.207 0.603 . . . . 0.0 110.333 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -75.71 152.6 37.45 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 112.015 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -130.18 121.03 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 C-N-CA 125.585 1.554 . . . . 0.0 106.897 169.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -96.54 118.96 34.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.453 1.101 . . . . 0.0 108.151 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.37 130.13 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.455 0.302 . . . . 0.0 110.574 -168.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.95 141.59 15.78 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 124.399 0.999 . . . . 0.0 111.287 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.5 141.05 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -138.11 98.59 3.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.462 0.705 . . . . 0.0 109.221 -174.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.86 155.42 80.3 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.483 1.113 . . . . 0.0 109.397 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -62.19 150.59 86.25 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.186 1.924 . . . . 0.0 110.598 169.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -69.26 -1.22 7.5 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 121.796 -0.565 . . . . 0.0 112.437 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.53 -22.39 66.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.709 1.204 . . . . 0.0 111.385 168.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.87 159.95 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.351 1.06 . . . . 0.0 110.711 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.65 157.04 16.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.08 127.23 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 O-C-N 121.915 -0.491 . . . . 0.0 110.019 168.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -149.85 167.5 26.4 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.662 0.785 . . . . 0.0 111.206 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.52 154.81 30.14 Favored 'General case' 0 C--O 1.227 -0.128 0 C-N-CA 123.156 0.582 . . . . 0.0 110.232 168.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.59 -34.66 73.01 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.082 0.953 . . . . 0.0 112.921 -169.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.8 -27.77 67.84 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.06 -38.25 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 170.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.99 -35.31 66.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.09 0.556 . . . . 0.0 112.464 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.49 -20.99 65.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.461 0.704 . . . . 0.0 112.768 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -85.91 -30.25 22.99 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.113 1.365 . . . . 0.0 111.248 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 C-N-CA 124.603 1.161 . . . . 0.0 108.808 171.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 tt -119.81 116.03 25.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.897 0.879 . . . . 0.0 109.845 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -107.76 138.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.177 0.991 . . . . 0.0 109.989 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.59 165.04 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.831 1.652 . . . . 0.0 110.611 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -133.72 99.79 4.58 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 168.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -108.48 144.96 35.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.867 1.267 . . . . 0.0 111.528 -172.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -90.04 164.64 14.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.46 140.23 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-O 120.883 0.373 . . . . 0.0 111.515 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.47 -3.54 86.39 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.794 0.711 . . . . 0.0 114.202 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.07 168.1 18.12 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 118.563 1.182 . . . . 0.0 111.464 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -136.33 151.52 49.68 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.394 0.678 . . . . 0.0 112.065 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -134.51 153.85 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 126.622 1.969 . . . . 0.0 108.264 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -133.25 151.61 51.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.197 -0.939 . . . . 0.0 112.907 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -137.53 140.42 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.761 1.224 . . . . 0.0 108.962 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -137.7 49.88 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.51 10.08 8.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.208 1.003 . . . . 0.0 111.544 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.16 -5.98 1.09 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -170.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.14 134.44 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 119.043 0.838 . . . . 0.0 110.699 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -127.47 145.35 50.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.469 1.108 . . . . 0.0 110.34 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -125.39 139.58 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.779 1.632 . . . . 0.0 108.125 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -135.99 130.51 33.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -82.01 107.48 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.15 -31.74 64.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.571 0.348 . . . . 0.0 110.274 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.94 -173.71 33.25 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.359 0.504 . . . . 0.0 113.362 169.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.6 159.5 15.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 C-N-CA 123.528 0.731 . . . . 0.0 112.11 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.0 t -149.97 89.91 1.64 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.685 1.194 . . . . 0.0 109.383 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.25 -111.86 3.89 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 121.492 -0.755 . . . . 0.0 111.872 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -91.55 -21.77 20.69 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 117.693 0.746 . . . . 0.0 111.556 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -74.15 144.25 44.94 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.721 0.809 . . . . 0.0 109.688 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.68 113.15 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -85.96 122.87 30.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -130.3 131.3 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.71 0.804 . . . . 0.0 110.47 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.25 143.84 16.98 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.233 0.921 . . . . 0.0 111.761 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -134.42 131.98 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.328 1.451 . . . . 0.0 108.655 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -133.17 100.71 4.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -172.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.18 155.4 75.96 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.8 1.24 . . . . 0.0 110.588 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.05 158.4 43.86 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.009 2.473 . . . . 0.0 111.996 171.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -73.02 -0.99 15.44 Favored 'General case' 0 N--CA 1.458 -0.053 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.05 -21.36 66.38 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.397 1.079 . . . . 0.0 111.424 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -124.87 159.35 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.297 1.039 . . . . 0.0 110.736 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.55 16.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.125 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.01 127.95 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.406 0.682 . . . . 0.0 110.123 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -150.15 170.88 17.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.831 0.852 . . . . 0.0 110.815 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -71.3 160.58 32.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.3 -32.05 70.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.232 -0.292 . . . . 0.0 111.515 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.95 -44.41 78.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.586 1.155 . . . . 0.0 111.939 173.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -87.83 -33.7 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.039 0.936 . . . . 0.0 110.279 -170.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.84 -34.7 28.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.949 1.3 . . . . 0.0 112.839 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.06 -21.97 59.99 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.329 1.051 . . . . 0.0 112.669 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -73.33 -47.36 43.08 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.355 0.662 . . . . 0.0 109.527 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.59 -22.97 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.326 1.45 . . . . 0.0 110.373 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 169.147 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.43 149.64 21.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.798 0.439 . . . . 0.0 111.435 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.57 136.08 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.23 163.07 27.53 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.726 1.21 . . . . 0.0 109.624 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.37 97.72 5.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.195 0.522 . . . . 0.0 109.844 169.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -104.88 135.12 46.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.057 1.343 . . . . 0.0 109.222 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -99.68 167.41 10.58 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 119.292 0.951 . . . . 0.0 113.156 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.81 136.93 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.395 -169.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.97 -8.44 76.2 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 113.739 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -95.84 175.81 6.36 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.734 1.267 . . . . 0.0 112.287 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -136.7 160.03 40.05 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -169.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -138.69 158.86 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 127.159 2.184 . . . . 0.0 107.664 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.32 150.95 48.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.417 -0.802 . . . . 0.0 112.573 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.91 142.13 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.634 1.173 . . . . 0.0 109.129 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.08 -132.95 49.03 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -127.85 10.07 6.47 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.284 1.034 . . . . 0.0 111.901 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -139.6 -14.18 1.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -103.47 136.1 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 118.835 0.743 . . . . 0.0 110.398 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.29 141.89 51.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.127 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -121.97 139.99 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.365 1.466 . . . . 0.0 108.119 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -135.24 129.54 33.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.208 0.603 . . . . 0.0 109.617 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -85.91 110.87 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 172.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.4 mt -85.35 -26.78 26.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.447 0.699 . . . . 0.0 111.218 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.71 -171.75 34.31 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.352 0.501 . . . . 0.0 113.29 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.61 157.32 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.397 0.679 . . . . 0.0 111.983 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -147.83 89.87 1.79 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.669 1.188 . . . . 0.0 108.605 169.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.77 -119.01 12.44 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -172.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -84.83 -20.12 31.4 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.199 0.499 . . . . 0.0 112.307 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -72.68 143.43 48.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -135.89 115.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -176.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -86.51 125.33 33.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.23 139.82 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.012 0.925 . . . . 0.0 110.096 -168.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.86 140.03 15.84 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 124.211 0.91 . . . . 0.0 111.175 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.97 140.55 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.358 1.063 . . . . 0.0 109.902 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -133.58 110.09 9.67 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.363 1.065 . . . . 0.0 109.336 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.95 157.94 77.09 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.632 0.773 . . . . 0.0 111.565 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.74 161.62 38.19 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.051 2.501 . . . . 0.0 112.169 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.15 -17.22 63.28 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.032 0.933 . . . . 0.0 112.617 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.18 -16.18 64.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.068 1.347 . . . . 0.0 112.668 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.11 165.05 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.05 160.98 14.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.369 0.667 . . . . 0.0 111.487 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 121.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.305 0.642 . . . . 0.0 110.448 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -151.93 177.71 10.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.446 1.098 . . . . 0.0 110.18 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -82.66 164.21 20.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.789 -0.569 . . . . 0.0 110.588 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.89 -23.11 64.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.534 0.734 . . . . 0.0 112.396 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.02 -47.75 73.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.074 0.95 . . . . 0.0 111.32 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -77.44 -30.85 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.475 0.71 . . . . 0.0 109.99 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -55.07 -36.41 65.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.322 0.649 . . . . 0.0 112.61 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.46 -26.15 65.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.274 0.63 . . . . 0.0 112.428 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -72.07 -23.0 61.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.513 0.725 . . . . 0.0 110.779 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.451 -0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 109.809 -170.53 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.83 119.6 38.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.837 0.855 . . . . 0.0 109.609 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.66 137.81 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.069 0.948 . . . . 0.0 110.724 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.9 mt -136.22 153.96 51.07 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.634 1.174 . . . . 0.0 110.25 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -127.98 100.98 6.11 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.867 0.867 . . . . 0.0 109.878 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -129.91 146.04 51.62 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.52 -0.737 . . . . 0.0 111.22 -170.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.74 166.27 15.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.567 0.747 . . . . 0.0 111.34 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -44.58 129.33 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.832 0.853 . . . . 0.0 110.88 169.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 -10.86 72.45 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.167 0.889 . . . . 0.0 113.922 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -84.62 171.27 12.57 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.79 1.295 . . . . 0.0 111.75 174.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 m -139.94 158.62 43.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -168.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.8 mm -130.53 156.27 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 126.745 2.018 . . . . 0.0 108.092 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -133.44 142.21 48.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.273 1.029 . . . . 0.0 110.946 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mt -134.09 121.58 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.738 1.215 . . . . 0.0 108.187 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' ' 17' ' ' ASP . . . -77.69 10.11 26.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.9 5.23 4.34 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.636 0.718 . . . . 0.0 110.219 165.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' GLY . 46.9 m-20 88.74 45.21 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 130.005 3.322 . . . . 0.0 112.389 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.72 143.44 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 121.183 0.516 . . . . 0.0 111.993 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.9 m -125.29 142.13 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.275 1.03 . . . . 0.0 109.33 169.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -121.81 143.96 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.531 1.132 . . . . 0.0 108.868 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -135.38 133.96 39.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.695 0.798 . . . . 0.0 109.647 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -87.09 101.89 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 171.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.32 -25.83 58.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.032 -0.418 . . . . 0.0 110.47 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.58 -176.62 42.85 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 118.292 0.496 . . . . 0.0 114.174 168.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.81 151.96 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.7 m -140.92 65.49 1.4 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.913 1.285 . . . . 0.0 110.002 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.52 -127.96 11.02 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.19 -12.67 59.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 18.2 pt20 -98.72 130.07 45.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.772 1.272 . . . . 0.0 110.571 175.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.9 t -112.71 124.4 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 126.477 1.911 . . . . 0.0 108.859 -167.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -91.61 101.88 14.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -109.16 133.87 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.542 1.137 . . . . 0.0 109.451 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.84 138.69 14.72 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.088 0.851 . . . . 0.0 111.557 171.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.0 mt -111.33 135.69 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 108.624 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -123.93 74.95 1.32 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.229 1.012 . . . . 0.0 109.439 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.82 153.46 43.71 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 125.35 1.46 . . . . 0.0 111.116 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.81 155.12 43.84 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.057 2.505 . . . . 0.0 110.515 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -68.79 -3.26 11.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.96 -24.64 63.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.009 0.924 . . . . 0.0 111.991 169.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.24 143.96 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.853 0.835 . . . . 0.0 111.58 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.84 142.99 28.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 110.843 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.62 126.49 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 122.826 0.45 . . . . 0.0 110.455 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -152.06 155.1 37.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.881 0.872 . . . . 0.0 110.038 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -81.81 167.74 18.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.012 -0.43 . . . . 0.0 111.71 170.402 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.21 -34.99 78.83 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.566 0.746 . . . . 0.0 112.268 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.66 -22.19 44.42 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.103 1.361 . . . . 0.0 112.875 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.404 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 5.9 mt -124.98 -6.74 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.769 1.228 . . . . 0.0 110.779 -169.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -79.99 -39.09 30.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.539 -1.35 . . . . 0.0 110.744 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -71.38 -25.61 62.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.002 0.521 . . . . 0.0 111.721 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 19.2 ptp180 -74.83 -32.06 61.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.763 0.825 . . . . 0.0 111.836 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -67.02 -48.68 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 123.719 0.808 . . . . 0.0 112.507 -176.074 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.556 -0.259 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.3 120.56 38.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.206 1.402 . . . . 0.0 107.731 169.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -118.95 140.32 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.191 0.597 . . . . 0.0 112.522 -164.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -144.39 142.89 30.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.69 1.196 . . . . 0.0 111.867 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -89.75 124.38 34.58 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 165.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -123.81 115.92 22.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.172 0.589 . . . . 0.0 109.793 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 71.4 tttt -84.43 148.85 26.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.5 m -54.78 128.88 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-O 121.329 0.585 . . . . 0.0 111.212 -170.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.06 -9.0 63.34 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.099 -0.834 . . . . 0.0 114.753 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -83.94 164.85 19.13 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 119.009 1.404 . . . . 0.0 111.455 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 39.4 m -132.45 158.61 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.61 0.764 . . . . 0.0 112.114 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 34.5 mt -138.6 157.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.589 1.555 . . . . 0.0 109.569 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -137.12 141.53 42.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.825 0.85 . . . . 0.0 111.053 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.9 mt -134.35 129.15 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 124.325 1.05 . . . . 0.0 109.386 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.98 -132.63 52.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -175.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -129.52 5.03 5.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.701 0.8 . . . . 0.0 112.878 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -114.57 -16.31 11.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.66 136.32 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 119.262 0.937 . . . . 0.0 111.665 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -129.75 148.88 51.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.027 1.331 . . . . 0.0 109.727 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -130.77 147.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.928 1.691 . . . . 0.0 108.365 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.29 134.12 32.16 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 122.969 0.508 . . . . 0.0 110.27 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.89 93.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 172.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.43 -34.85 78.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.977 -0.452 . . . . 0.0 110.962 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.46 -174.77 39.73 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 170.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -113.44 152.96 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.094 0.473 . . . . 0.0 110.314 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -127.67 73.05 1.42 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.57 1.148 . . . . 0.0 108.677 173.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.26 -120.19 5.07 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.98 12.21 34.97 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.682 0.793 . . . . 0.0 111.19 172.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -98.84 152.65 19.49 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.047 0.939 . . . . 0.0 109.703 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -133.5 115.38 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 117.54 25.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.269 1.427 . . . . 0.0 109.23 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -127.23 131.94 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.076 0.95 . . . . 0.0 109.672 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.92 137.15 13.09 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.34 130.12 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.908 0.883 . . . . 0.0 109.189 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -132.65 76.34 1.68 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.575 -167.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.06 157.14 56.05 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.258 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -58.84 154.88 41.08 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.686 1.591 . . . . 0.0 109.674 168.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -0.76 8.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.975 0.91 . . . . 0.0 111.197 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.82 -23.76 66.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.546 1.938 . . . . 0.0 111.352 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -112.89 144.15 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.99 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.475 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -85.64 140.0 30.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.233 0.54 . . . . 0.0 111.805 172.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 t -143.44 102.85 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.68 -166.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.475 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.9 OUTLIER -146.46 175.89 10.21 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.471 1.108 . . . . 0.0 110.981 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -82.11 163.48 21.98 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.865 0.466 . . . . 0.0 111.207 168.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -53.55 -41.27 66.29 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 123.469 0.708 . . . . 0.0 112.049 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.57 -43.92 36.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.063 0.545 . . . . 0.0 111.399 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -83.57 -47.91 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 125.278 1.431 . . . . 0.0 110.167 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -48.96 -37.65 20.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.65 1.18 . . . . 0.0 111.754 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.85 -25.91 65.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.734 0.814 . . . . 0.0 113.13 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -81.77 -39.54 23.96 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.154 0.888 . . . . 0.0 110.587 171.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.68 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -79.95 5.01 15.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.52 -14.82 56.46 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.201 0.6 . . . . 0.0 112.04 169.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.48 45.45 0.13 Allowed Glycine 0 C--N 1.339 0.706 0 CA-C-O 119.554 -0.581 . . . . 0.0 114.177 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -175.42 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.804 0.802 . . . . 0.0 112.737 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 42.0 p -128.77 179.32 5.77 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.278 1.431 . . . . 0.0 109.325 167.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.27 120.51 1.28 Allowed Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 124.345 1.058 . . . . 0.0 111.499 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -62.35 169.34 8.16 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.644 2.23 . . . . 0.0 114.309 -169.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.633 1.173 . . . . 0.0 112.584 176.698 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.73 110.99 22.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.093 0.957 . . . . 0.0 108.904 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.55 133.55 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 109.534 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.12 137.66 53.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.116 0.966 . . . . 0.0 110.097 169.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -98.1 144.74 27.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.067 0.547 . . . . 0.0 110.257 169.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.08 152.34 39.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.63 0.772 . . . . 0.0 111.031 176.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -91.94 161.13 14.94 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.961 0.904 . . . . 0.0 109.383 170.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.88 139.96 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 118.897 0.771 . . . . 0.0 111.93 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.17 89.13 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.857 1.218 . . . . 0.0 114.769 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -84.01 -175.34 5.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.789 1.795 . . . . 0.0 112.945 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.3 m -144.25 146.05 32.42 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -164.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -138.83 153.17 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 127.094 2.158 . . . . 0.0 108.969 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -130.45 148.69 52.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.818 1.247 . . . . 0.0 111.797 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -136.33 140.42 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.721 1.208 . . . . 0.0 109.255 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -135.8 51.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.61 10.04 7.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.765 0.826 . . . . 0.0 111.35 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.66 -10.24 5.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.307 1.043 . . . . 0.0 112.769 -172.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.08 135.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.437 0.695 . . . . 0.0 110.532 -174.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -133.84 144.56 49.02 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.821 1.248 . . . . 0.0 108.702 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 mt -135.25 136.69 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -121.67 134.05 54.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.349 1.06 . . . . 0.0 110.157 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -84.82 120.34 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -93.9 -34.67 13.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -173.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.81 41.2 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 120.394 -0.114 . . . . 0.0 113.17 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.35 152.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.176 0.59 . . . . 0.0 110.709 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -145.2 103.72 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.668 1.187 . . . . 0.0 107.839 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.86 -131.92 26.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -169.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.04 -3.76 58.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.701 0.801 . . . . 0.0 113.011 170.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.16 147.33 29.08 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.243 0.617 . . . . 0.0 110.111 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -131.43 112.4 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -76.76 110.35 11.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -116.53 133.3 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.784 1.234 . . . . 0.0 109.484 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.26 129.16 9.54 Favored Glycine 0 C--N 1.337 0.599 0 C-N-CA 123.909 0.766 . . . . 0.0 111.813 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -109.22 127.54 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.563 1.145 . . . . 0.0 108.505 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.78 96.06 5.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.633 0.773 . . . . 0.0 109.909 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.05 154.43 81.31 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.319 1.048 . . . . 0.0 110.345 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.11 152.54 80.66 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.846 2.364 . . . . 0.0 111.077 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.63 -0.94 3.18 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.261 0.624 . . . . 0.0 112.649 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.86 -22.16 66.51 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.285 1.034 . . . . 0.0 111.115 168.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.08 150.44 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.402 1.081 . . . . 0.0 110.716 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 155.54 20.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.879 0.472 . . . . 0.0 111.434 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.51 127.98 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.185 0.594 . . . . 0.0 109.758 169.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -154.17 151.81 29.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.959 0.504 . . . . 0.0 111.528 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -71.37 160.76 32.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.174 -0.329 . . . . 0.0 110.367 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.0 -33.04 71.45 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.18 -20.57 60.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.57 -33.25 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.778 0.831 . . . . 0.0 110.797 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.2 -38.19 73.32 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.457 -0.777 . . . . 0.0 111.759 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.97 -29.89 71.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.902 -0.499 . . . . 0.0 112.041 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -69.74 -34.09 73.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.123 0.969 . . . . 0.0 111.625 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mm . . . . . 0 N--CA 1.457 -0.103 0 C-N-CA 123.506 0.722 . . . . 0.0 110.629 173.381 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.72 107.63 13.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.002 1.321 . . . . 0.0 109.138 172.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.12 139.64 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.119 1.367 . . . . 0.0 110.001 -175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.18 163.7 32.05 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.269 1.428 . . . . 0.0 110.985 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -103.93 119.28 38.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 163.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.24 130.15 54.78 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.134 0.573 . . . . 0.0 110.755 170.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.87 158.33 26.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.316 0.507 . . . . 0.0 110.414 169.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -56.57 138.46 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 111.58 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.96 -2.23 85.49 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.24 0.924 . . . . 0.0 114.151 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -98.6 177.73 5.23 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.833 1.316 . . . . 0.0 112.13 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 36.1 m -138.86 160.3 40.04 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -138.96 154.87 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 126.607 1.963 . . . . 0.0 108.881 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -123.99 150.09 45.24 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.99 0.916 . . . . 0.0 111.299 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -134.74 136.83 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.146 1.379 . . . . 0.0 109.134 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.42 -132.36 51.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -130.03 10.03 5.38 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.262 0.625 . . . . 0.0 112.056 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.03 -7.17 4.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.801 0.84 . . . . 0.0 113.078 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.06 134.73 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.401 0.68 . . . . 0.0 110.316 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -127.51 146.66 50.43 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.207 1.003 . . . . 0.0 110.01 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -125.86 141.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.406 1.482 . . . . 0.0 108.277 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -135.89 123.11 21.72 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.384 0.674 . . . . 0.0 109.521 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.89 101.01 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 mt -73.6 -31.74 63.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.257 0.623 . . . . 0.0 110.641 -170.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.2 40.34 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 122.678 0.18 . . . . 0.0 112.71 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -108.1 159.47 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.109 0.564 . . . . 0.0 110.141 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -139.6 76.45 1.56 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.494 0.717 . . . . 0.0 109.419 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.19 -114.28 3.82 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.5 mp0 -93.49 -3.52 52.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.414 0.686 . . . . 0.0 110.403 173.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -74.63 154.85 38.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.341 0.591 . . . . 0.0 112.197 169.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.61 116.85 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.969 1.708 . . . . 0.0 106.714 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -97.49 115.05 27.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.754 1.222 . . . . 0.0 108.445 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.85 125.0 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.834 0.454 . . . . 0.0 111.104 -167.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.81 140.83 17.43 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -131.14 139.17 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.0 99.12 3.81 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -170.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.6 155.5 80.49 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 124.555 1.142 . . . . 0.0 109.537 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.17 151.4 82.25 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.153 1.902 . . . . 0.0 110.732 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.62 -0.99 7.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 174.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -67.58 -21.66 65.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.796 1.238 . . . . 0.0 111.283 168.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.439 1.096 . . . . 0.0 110.682 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.22 157.05 17.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.197 0.599 . . . . 0.0 112.173 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.08 127.6 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 121.7 -0.625 . . . . 0.0 111.216 170.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -153.17 172.82 16.35 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.117 0.967 . . . . 0.0 111.522 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 50.7 mtp85 -69.76 164.09 24.31 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 166.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.06 -39.11 84.85 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 118.264 0.484 . . . . 0.0 111.333 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -50.03 -43.68 50.94 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.799 0.84 . . . . 0.0 112.613 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.55 -35.1 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.316 1.046 . . . . 0.0 110.521 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.12 -43.41 82.33 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.838 0.855 . . . . 0.0 110.456 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.19 -23.46 66.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.496 0.718 . . . . 0.0 112.724 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -77.15 -41.45 41.7 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 123.352 0.661 . . . . 0.0 110.897 170.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.604 179.264 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -103.9 120.11 40.33 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 96.4 mt -129.04 136.71 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.675 0.79 . . . . 0.0 109.563 -170.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -137.55 163.86 30.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 111.036 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 98.99 5.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 167.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -105.03 133.45 49.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.701 1.6 . . . . 0.0 109.262 -174.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -99.86 167.62 10.4 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 120.347 1.431 . . . . 0.0 112.889 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.4 138.73 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.698 -169.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.93 -4.7 85.57 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 123.936 0.779 . . . . 0.0 114.114 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -93.07 178.76 5.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.641 1.221 . . . . 0.0 111.469 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -138.18 159.84 40.98 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -138.81 157.12 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 126.891 2.076 . . . . 0.0 108.379 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.14 149.1 47.08 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.458 -0.776 . . . . 0.0 112.984 -174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.2 141.71 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.534 1.134 . . . . 0.0 109.358 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.02 48.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -126.73 8.13 6.88 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.996 0.918 . . . . 0.0 111.754 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.29 -3.13 1.96 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -171.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.99 134.32 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.856 0.753 . . . . 0.0 110.679 -175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -128.86 142.57 50.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 109.964 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -123.86 140.24 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.126 1.37 . . . . 0.0 108.178 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -135.71 129.59 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.051 0.541 . . . . 0.0 109.934 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.34 104.24 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -74.25 -28.03 61.03 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.81 0.444 . . . . 0.0 111.187 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -172.76 34.54 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 123.424 0.535 . . . . 0.0 113.704 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -120.13 156.93 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -144.82 89.92 2.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.928 1.291 . . . . 0.0 109.029 169.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.75 -112.32 4.86 Favored Glycine 0 CA--C 1.526 0.773 0 O-C-N 121.469 -0.77 . . . . 0.0 111.539 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -90.43 -21.74 21.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 117.881 0.84 . . . . 0.0 111.579 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -69.24 145.65 52.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.71 114.74 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.29 123.17 32.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.16 134.82 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.755 0.822 . . . . 0.0 110.475 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.06 141.02 15.16 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.579 1.085 . . . . 0.0 111.449 171.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -130.87 128.58 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.045 1.338 . . . . 0.0 108.932 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -130.14 98.99 4.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -172.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 154.87 75.96 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.757 1.223 . . . . 0.0 110.596 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.71 157.75 40.92 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.097 173.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -71.62 -0.97 12.01 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.37 -21.78 66.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.481 1.112 . . . . 0.0 111.714 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.8 157.64 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.245 1.018 . . . . 0.0 110.393 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.18 14.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 129.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.766 0.427 . . . . 0.0 110.749 170.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -150.73 169.12 22.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.41 1.084 . . . . 0.0 110.279 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.86 151.83 44.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 168.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.1 -27.93 64.14 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.639 0.654 . . . . 0.0 111.254 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.56 -46.0 90.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.394 1.078 . . . . 0.0 111.117 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.45 -39.54 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.732 0.813 . . . . 0.0 109.952 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -56.44 -36.3 68.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.312 0.645 . . . . 0.0 111.839 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.01 -21.9 62.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -72.04 -24.43 61.54 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.801 0.728 . . . . 0.0 111.23 171.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.63 -28.72 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.164 1.386 . . . . 0.0 110.138 -174.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 174.437 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -98.63 149.0 23.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.061 0.544 . . . . 0.0 111.457 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.68 135.45 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.915 0.886 . . . . 0.0 108.858 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.49 161.22 35.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 109.951 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.6 101.99 7.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 168.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.26 132.93 53.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.767 1.627 . . . . 0.0 111.075 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -97.43 166.87 11.33 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 119.692 1.133 . . . . 0.0 113.432 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.32 136.57 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.78 -169.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.09 -7.04 78.94 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.257 0.932 . . . . 0.0 113.784 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -93.68 174.22 7.29 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.707 1.254 . . . . 0.0 112.404 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -138.73 161.15 37.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -169.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -142.25 152.94 18.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.613 1.965 . . . . 0.0 108.103 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.56 147.92 44.54 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.728 0.811 . . . . 0.0 111.674 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.55 140.51 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.731 1.212 . . . . 0.0 109.503 174.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.83 -132.27 43.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -130.08 9.99 5.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.503 0.721 . . . . 0.0 111.705 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -137.41 -17.84 1.3 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.674 0.789 . . . . 0.0 113.101 -172.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.66 132.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 118.733 0.697 . . . . 0.0 109.925 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -123.84 143.6 50.24 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.662 0.785 . . . . 0.0 110.167 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -122.87 143.05 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.448 1.499 . . . . 0.0 108.344 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.9 m -138.88 131.79 29.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.368 0.667 . . . . 0.0 109.917 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -89.29 110.96 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.19 -33.37 26.17 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.006 0.523 . . . . 0.0 110.754 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -172.19 40.32 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 114.019 0.368 . . . . 0.0 114.019 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.61 159.08 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.706 0.803 . . . . 0.0 112.013 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.06 89.94 1.64 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.022 1.329 . . . . 0.0 108.996 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -115.27 5.89 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.624 -0.591 . . . . 0.0 111.624 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -88.22 -23.64 23.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.398 0.599 . . . . 0.0 111.556 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -73.64 146.9 44.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.684 0.754 . . . . 0.0 110.955 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.94 119.63 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -171.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -82.33 116.77 21.98 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.683 0.793 . . . . 0.0 109.048 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.76 138.51 54.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 123.493 0.717 . . . . 0.0 110.276 -172.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.36 143.97 16.33 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.186 0.898 . . . . 0.0 112.025 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.89 138.28 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.103 1.361 . . . . 0.0 109.784 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -126.8 107.0 9.73 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.874 1.27 . . . . 0.0 109.054 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.29 157.24 75.09 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.773 0.829 . . . . 0.0 111.589 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.6 161.7 34.34 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.923 2.415 . . . . 0.0 112.018 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -71.48 -5.08 30.37 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.449 0.7 . . . . 0.0 112.613 172.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.33 -19.55 63.06 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.742 1.217 . . . . 0.0 112.485 172.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -129.11 166.3 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.965 0.906 . . . . 0.0 111.127 -177.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.83 163.11 12.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.81 0.844 . . . . 0.0 111.193 173.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.06 127.01 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.33 0.652 . . . . 0.0 110.36 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -152.08 176.08 11.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.964 0.906 . . . . 0.0 110.335 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -79.07 163.37 25.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.07 -32.23 67.84 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.976 0.51 . . . . 0.0 112.266 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.51 -44.82 81.14 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.218 1.007 . . . . 0.0 111.732 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 mm -91.06 -29.28 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.769 0.828 . . . . 0.0 110.491 -169.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.86 -35.94 35.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.118 0.967 . . . . 0.0 112.752 175.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -59.57 -21.94 61.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.322 1.049 . . . . 0.0 112.647 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -77.8 -22.96 49.27 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.753 0.821 . . . . 0.0 110.644 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.454 -0.251 0 C-N-CA 124.702 1.201 . . . . 0.0 109.628 -178.004 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.21 113.97 25.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.697 0.799 . . . . 0.0 109.745 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.12 134.34 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.531 0.732 . . . . 0.0 109.412 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.5 mt -131.2 158.8 39.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.192 0.997 . . . . 0.0 109.909 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -128.09 100.89 6.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.706 0.802 . . . . 0.0 108.93 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -122.57 156.54 34.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.932 -0.48 . . . . 0.0 111.251 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -108.82 163.16 13.52 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.316 1.047 . . . . 0.0 110.395 -168.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -48.23 128.85 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.736 0.414 . . . . 0.0 111.124 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.15 74.02 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.142 0.877 . . . . 0.0 113.976 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -95.82 169.91 9.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.51 1.155 . . . . 0.0 112.262 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -138.04 154.09 49.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.6 mm -120.12 157.69 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.311 1.844 . . . . 0.0 109.713 175.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -130.41 136.67 49.28 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.078 0.951 . . . . 0.0 111.055 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -132.9 128.84 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.412 1.085 . . . . 0.0 109.582 -176.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.36 -125.94 21.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -129.28 -0.98 5.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.043 0.937 . . . . 0.0 111.827 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -146.29 -2.05 0.7 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -168.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.32 134.36 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.514 1.052 . . . . 0.0 110.718 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -133.88 132.66 40.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.918 0.887 . . . . 0.0 110.078 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 mm -112.99 145.56 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.26 1.024 . . . . 0.0 109.088 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -137.06 132.77 34.63 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.224 0.61 . . . . 0.0 110.429 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.88 99.2 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -29.17 64.4 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -175.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.95 175.41 38.9 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-N 117.87 0.305 . . . . 0.0 113.844 168.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.54 152.22 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.825 0.85 . . . . 0.0 111.505 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -139.08 61.02 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.847 1.259 . . . . 0.0 109.377 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.65 -122.22 6.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -174.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.56 -15.17 58.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.447 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.6 pt20 -98.75 146.05 26.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 122.662 1.22 . . . . 0.0 111.72 170.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -128.74 120.03 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 126.073 1.749 . . . . 0.0 108.334 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -90.51 101.86 14.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.5 mt -108.81 135.23 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.759 1.224 . . . . 0.0 109.223 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.54 139.26 15.25 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 123.743 0.687 . . . . 0.0 111.538 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.44 135.67 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.209 1.404 . . . . 0.0 108.809 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -116.93 78.14 1.18 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.368 1.067 . . . . 0.0 109.084 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.37 153.76 45.54 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.63 0.772 . . . . 0.0 110.583 172.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.21 155.5 46.82 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.685 2.257 . . . . 0.0 110.51 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -69.24 -2.79 11.46 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -69.77 -26.12 64.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.962 0.905 . . . . 0.0 111.968 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -114.98 144.05 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.899 0.857 . . . . 0.0 111.631 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.37 143.03 30.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.782 0.833 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 m -132.58 127.52 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.926 0.49 . . . . 0.0 110.169 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -152.73 161.52 42.46 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.524 0.73 . . . . 0.0 110.475 -172.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 163.7 16.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 122.122 -0.362 . . . . 0.0 111.402 168.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.82 -24.03 64.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.754 0.422 . . . . 0.0 112.119 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.38 -27.32 68.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.269 1.027 . . . . 0.0 112.676 169.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.35 -24.45 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.359 1.064 . . . . 0.0 110.889 -169.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -60.59 -32.06 71.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.597 -0.689 . . . . 0.0 110.674 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -75.44 -12.75 60.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.45 0.7 . . . . 0.0 111.992 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.98 -32.8 39.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.865 0.866 . . . . 0.0 110.765 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.68 -53.2 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.769 0.827 . . . . 0.0 108.848 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 . . . . . 0 N--CA 1.452 -0.362 0 C-N-CA 123.824 0.849 . . . . 0.0 112.416 -174.585 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.31 123.18 49.53 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 169.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -120.01 138.14 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 122.965 0.506 . . . . 0.0 112.361 -165.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.5 mt -142.67 137.95 30.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.494 1.118 . . . . 0.0 111.159 -173.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 36.5 p -86.71 123.38 31.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 166.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -116.55 126.49 53.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.815 0.446 . . . . 0.0 110.382 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 19.5 tttp -83.98 150.1 25.86 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.0 m -56.52 130.52 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.388 0.54 . . . . 0.0 111.148 -171.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.9 61.37 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.65 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -86.69 166.14 15.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.97 1.385 . . . . 0.0 112.058 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -130.72 155.39 46.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mm -132.76 149.79 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 126.934 2.093 . . . . 0.0 108.598 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -130.96 140.75 50.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.029 0.931 . . . . 0.0 110.484 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.55 126.29 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.309 1.044 . . . . 0.0 109.431 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.77 -133.04 52.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.97 4.99 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.673 0.789 . . . . 0.0 113.02 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -111.39 -19.86 12.45 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.73 136.09 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 119.2 0.909 . . . . 0.0 111.618 -169.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -130.85 148.16 52.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.989 1.316 . . . . 0.0 109.474 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -131.01 144.22 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.483 1.513 . . . . 0.0 108.011 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -137.35 129.84 29.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.912 0.485 . . . . 0.0 110.115 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.52 102.27 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.55 -33.46 71.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.803 -0.561 . . . . 0.0 110.438 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.51 178.02 36.02 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 170.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -105.42 148.84 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 O-C-N 122.396 -0.473 . . . . 0.0 109.888 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -123.52 77.88 1.54 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.91 -119.39 4.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.14 10.44 40.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.139 0.576 . . . . 0.0 110.953 172.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.92 155.75 17.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.04 0.936 . . . . 0.0 110.069 170.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.59 113.21 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 123.136 0.574 . . . . 0.0 109.566 -169.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.0 116.2 24.89 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.355 1.462 . . . . 0.0 109.576 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.17 129.95 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.246 1.018 . . . . 0.0 109.72 -170.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.3 136.71 13.15 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.67 129.59 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.75 0.82 . . . . 0.0 109.197 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -129.78 80.08 1.94 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.484 -168.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.82 72.5 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.693 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -60.52 156.78 39.84 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.645 1.563 . . . . 0.0 110.232 168.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.68 -0.87 19.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.998 0.904 . . . . 0.0 111.884 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.83 -22.16 66.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.644 1.578 . . . . 0.0 111.506 170.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -112.27 144.06 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.373 1.069 . . . . 0.0 109.524 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -87.39 141.47 28.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 111.389 172.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.65 99.46 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.833 -166.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.439 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.6 OUTLIER -143.11 168.74 19.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.88 0.872 . . . . 0.0 110.213 177.154 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.51 157.59 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.178 -0.326 . . . . 0.0 111.426 169.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -53.57 -40.08 65.31 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.482 0.713 . . . . 0.0 112.058 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -49.73 30.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.737 0.815 . . . . 0.0 111.592 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.11 -45.51 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.835 1.254 . . . . 0.0 110.817 -175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.39 -36.38 43.18 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.2 1.0 . . . . 0.0 111.856 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -68.9 -23.89 64.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -81.62 -39.66 24.13 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.064 0.847 . . . . 0.0 110.313 170.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.78 -40.72 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -80.27 4.27 18.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.88 -17.93 51.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.179 0.591 . . . . 0.0 111.344 168.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.31 47.66 0.1 OUTLIER Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.49 -0.616 . . . . 0.0 114.121 169.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.02 -176.95 2.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.857 0.828 . . . . 0.0 112.76 -168.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -127.26 -176.42 3.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 125.429 1.491 . . . . 0.0 109.448 168.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.95 119.0 3.13 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 123.666 0.787 . . . . 0.0 111.126 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.26 -50.12 12.02 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.921 2.414 . . . . 0.0 112.484 -169.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.591 0.71 . . . . 0.0 111.055 -175.472 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 101.327 -3.583 . . . . 0.0 101.327 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.21 110.49 22.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -169.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -85.19 130.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -123.82 137.53 54.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.834 0.854 . . . . 0.0 109.605 170.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.6 p -94.29 136.99 33.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.47 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.35 141.86 43.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.971 0.508 . . . . 0.0 110.792 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -80.26 156.37 26.87 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.635 1.174 . . . . 0.0 108.61 169.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -60.45 135.17 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.53 -3.67 81.79 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.677 1.132 . . . . 0.0 114.086 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -90.11 176.81 6.63 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.097 1.449 . . . . 0.0 112.257 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -139.13 157.78 45.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -167.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -136.82 158.01 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.799 2.44 . . . . 0.0 108.203 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -131.31 145.25 51.79 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.214 1.005 . . . . 0.0 111.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.84 139.39 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.691 1.196 . . . . 0.0 109.733 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -131.19 51.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -129.99 9.96 5.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.772 0.829 . . . . 0.0 110.985 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.01 -11.34 4.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.696 1.198 . . . . 0.0 112.966 -169.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.04 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.133 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.9 m -123.45 138.21 54.63 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.683 0.793 . . . . 0.0 109.691 175.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.46 140.71 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.993 1.317 . . . . 0.0 108.522 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.8 m -136.78 128.18 28.35 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.907 -0.496 . . . . 0.0 110.471 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.54 106.57 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.36 -33.68 28.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.02 -171.89 41.96 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 121.756 -0.259 . . . . 0.0 113.299 168.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.25 153.52 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.281 0.632 . . . . 0.0 110.737 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.4 p -143.73 110.46 5.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.082 0.953 . . . . 0.0 108.866 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.36 -124.7 35.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -169.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -95.47 -0.51 52.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.057 0.943 . . . . 0.0 112.242 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -83.89 153.12 24.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 t -131.2 121.78 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.495 1.118 . . . . 0.0 108.173 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -80.62 112.05 17.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.67 130.16 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.255 1.422 . . . . 0.0 108.9 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.52 139.46 14.41 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.524 1.059 . . . . 0.0 111.771 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.44 113.14 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 125.055 1.342 . . . . 0.0 107.826 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -123.25 94.42 4.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 110.258 -168.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.99 158.09 76.18 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.684 1.193 . . . . 0.0 109.901 -175.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.48 149.5 89.37 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.375 2.05 . . . . 0.0 110.91 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -65.35 -0.92 2.06 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.676 0.79 . . . . 0.0 112.604 173.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.9 -24.19 66.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.473 1.109 . . . . 0.0 111.491 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.57 148.33 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.15 0.98 . . . . 0.0 110.493 174.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.09 21.95 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.559 0.344 . . . . 0.0 111.357 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 m -136.76 129.99 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -153.12 150.28 28.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.995 0.518 . . . . 0.0 111.089 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -71.09 157.72 37.7 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 167.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.55 -34.58 72.85 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -168.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.92 -23.01 64.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.3 mm -94.06 -35.61 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.605 0.762 . . . . 0.0 110.735 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -52.84 -33.95 51.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.171 0.989 . . . . 0.0 112.586 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.53 -27.66 68.77 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.509 0.724 . . . . 0.0 112.622 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -69.14 -36.0 76.98 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.231 0.612 . . . . 0.0 111.644 172.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.454 -0.23 0 O-C-N 122.027 -0.421 . . . . 0.0 110.043 178.184 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttp . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.97 124.92 50.55 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.798 1.639 . . . . 0.0 108.938 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.45 136.98 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.214 1.006 . . . . 0.0 109.799 -169.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -136.87 162.38 33.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.943 1.297 . . . . 0.0 111.582 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.91 113.45 23.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 165.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.6 144.17 43.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 168.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -78.43 161.12 27.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 110.11 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -54.28 135.3 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.441 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.27 78.1 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.42 1.01 . . . . 0.0 114.186 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -99.88 171.83 7.62 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.043 1.421 . . . . 0.0 112.169 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -129.4 155.76 45.15 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -168.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 mt -140.75 158.07 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 126.5 1.92 . . . . 0.0 109.199 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -130.07 149.5 51.76 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.669 1.188 . . . . 0.0 111.71 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.4 mt -135.33 134.2 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 125.055 1.342 . . . . 0.0 109.228 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.48 -134.53 52.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.49 9.95 5.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.961 0.905 . . . . 0.0 112.441 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -124.04 -14.22 7.14 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.82 134.6 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.983 0.81 . . . . 0.0 110.923 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -125.06 144.79 50.23 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.201 1.001 . . . . 0.0 109.865 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.43 140.92 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.164 1.386 . . . . 0.0 108.282 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -134.99 125.59 26.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -81.53 107.92 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 mt -83.17 -30.9 27.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.09 -0.381 . . . . 0.0 110.56 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.91 -177.65 40.34 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.472 -0.394 . . . . 0.0 113.382 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -108.75 160.56 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.217 0.607 . . . . 0.0 111.567 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -142.6 79.85 1.67 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.426 1.49 . . . . 0.0 108.162 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -114.93 5.8 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.7 -15.62 34.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.055 0.942 . . . . 0.0 111.105 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.44 159.16 21.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.363 0.602 . . . . 0.0 112.227 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 17.6 t -141.0 122.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.307 1.043 . . . . 0.0 108.454 -172.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -82.33 120.1 24.98 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.295 0.638 . . . . 0.0 109.917 171.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -125.9 118.34 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.081 0.953 . . . . 0.0 109.468 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.22 143.2 23.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.357 1.456 . . . . 0.0 110.909 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.6 138.58 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.53 97.19 3.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -172.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.24 153.02 79.23 Favored Pre-proline 0 N--CA 1.451 -0.382 0 C-N-CA 124.599 1.159 . . . . 0.0 109.478 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -60.88 150.21 84.56 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.18 1.92 . . . . 0.0 110.593 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -69.05 -0.9 6.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 174.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.07 -22.58 65.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.749 1.22 . . . . 0.0 111.357 168.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -124.22 159.03 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.318 1.047 . . . . 0.0 110.585 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.34 157.04 17.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.299 0.64 . . . . 0.0 112.079 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.98 128.32 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 O-C-N 121.688 -0.633 . . . . 0.0 110.604 168.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -149.58 167.7 25.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.917 0.887 . . . . 0.0 111.353 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -64.94 157.7 27.39 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 167.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -63.25 -34.84 78.53 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.476 -0.765 . . . . 0.0 111.522 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -27.71 67.61 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.473 0.709 . . . . 0.0 112.728 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -84.3 -37.5 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.017 0.927 . . . . 0.0 110.912 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -53.1 -37.44 61.71 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.064 0.946 . . . . 0.0 111.806 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.08 -21.04 64.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.68 1.192 . . . . 0.0 113.579 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.35 -34.36 42.18 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.378 1.071 . . . . 0.0 110.696 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.455 -0.193 0 C-N-CA 125.933 1.693 . . . . 0.0 109.213 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.35 144.53 46.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.281 1.033 . . . . 0.0 110.05 -177.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.49 126.78 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 170.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.61 163.67 19.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.559 1.544 . . . . 0.0 110.422 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.46 126.81 33.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 168.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -135.24 128.67 32.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.309 1.044 . . . . 0.0 109.752 -169.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -88.08 163.88 16.02 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 119.399 1.0 . . . . 0.0 112.753 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -59.27 137.92 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.173 -174.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.84 -5.44 82.08 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.037 -0.868 . . . . 0.0 114.21 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -96.36 -178.96 4.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.9 1.35 . . . . 0.0 111.535 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.51 160.96 37.68 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mm -133.63 155.71 40.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 127.731 2.412 . . . . 0.0 108.105 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.34 150.76 50.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.17 -0.956 . . . . 0.0 113.399 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -138.14 139.32 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.765 1.226 . . . . 0.0 109.219 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.23 -137.03 47.84 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -125.06 8.47 8.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.191 0.997 . . . . 0.0 111.605 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -136.31 -7.02 2.02 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.55 133.94 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 118.77 0.714 . . . . 0.0 110.771 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -126.85 142.57 51.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.442 1.097 . . . . 0.0 110.044 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -121.51 137.25 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 108.125 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 53.9 m -133.28 126.71 32.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 109.705 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.02 99.71 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.35 -30.44 68.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.962 -0.461 . . . . 0.0 110.904 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.2 -169.14 33.69 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.038 0.351 . . . . 0.0 113.484 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -125.28 158.84 33.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.645 0.778 . . . . 0.0 112.504 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -146.52 89.97 1.89 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.922 1.289 . . . . 0.0 109.46 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.92 -104.3 1.69 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 -176.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -100.45 -15.7 17.82 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.253 0.621 . . . . 0.0 111.798 171.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.07 146.48 39.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.627 0.727 . . . . 0.0 109.344 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -140.0 108.01 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -87.89 123.23 32.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.25 130.21 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.833 0.853 . . . . 0.0 110.335 -168.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.11 138.36 14.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.66 132.2 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.348 1.059 . . . . 0.0 109.152 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -132.14 98.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -172.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.4 155.33 80.85 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.671 1.188 . . . . 0.0 110.322 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.02 157.76 42.34 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.75 2.3 . . . . 0.0 112.107 172.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -71.6 -1.01 12.08 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.449 0.7 . . . . 0.0 112.63 172.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.74 -22.8 66.04 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.654 1.182 . . . . 0.0 111.754 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -122.49 158.64 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.046 0.938 . . . . 0.0 110.733 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.66 158.21 16.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.896 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.99 129.4 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.029 0.532 . . . . 0.0 110.239 169.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -151.2 169.29 22.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.2 1.0 . . . . 0.0 110.317 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -64.6 156.27 30.56 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.32 -23.83 67.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.145 -0.347 . . . . 0.0 111.254 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.13 -50.41 69.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.18 0.992 . . . . 0.0 111.029 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -79.32 -33.15 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.77 -35.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.673 0.789 . . . . 0.0 112.272 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.34 -25.18 64.07 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.147 0.579 . . . . 0.0 112.522 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -72.15 -25.97 61.92 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.025 0.53 . . . . 0.0 110.297 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 90.6 mt -98.91 -29.68 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.32 1.048 . . . . 0.0 110.912 -169.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 176.93 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.254 0.073 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -94.79 150.22 20.43 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.074 0.55 . . . . 0.0 111.571 174.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.58 132.37 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 169.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -129.91 159.4 36.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.014 1.326 . . . . 0.0 109.937 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -130.39 102.19 6.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -104.86 162.02 13.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.542 176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -118.15 173.43 6.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 169.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -57.06 135.31 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.818 -169.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.0 -4.36 78.07 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.357 0.98 . . . . 0.0 114.185 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -99.57 171.59 7.83 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.651 1.225 . . . . 0.0 112.329 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -138.31 166.84 23.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt -152.18 156.41 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 128.455 2.702 . . . . 0.0 107.402 -169.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -136.25 152.35 50.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.47 -0.768 . . . . 0.0 112.534 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.37 141.39 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.721 1.208 . . . . 0.0 108.878 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.52 -134.36 52.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -174.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.67 10.11 6.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.422 1.089 . . . . 0.0 112.399 174.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -133.33 -17.26 2.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -100.35 137.67 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.285 0.948 . . . . 0.0 110.871 -171.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -132.58 139.55 47.86 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.395 1.078 . . . . 0.0 110.132 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.5 mm -121.17 143.18 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.906 1.282 . . . . 0.0 108.621 175.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -138.96 128.54 24.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.609 0.764 . . . . 0.0 109.923 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.21 117.71 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -86.37 -30.62 22.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.177 0.591 . . . . 0.0 111.055 -176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.93 -175.28 33.75 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 122.888 0.28 . . . . 0.0 113.507 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.84 157.93 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 123.102 0.561 . . . . 0.0 112.154 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -149.98 103.45 3.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.443 1.097 . . . . 0.0 109.118 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.44 -114.22 6.32 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -96.59 -15.24 21.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.177 0.489 . . . . 0.0 112.189 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.73 142.3 38.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.531 0.732 . . . . 0.0 110.386 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.7 t -132.48 113.79 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -174.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -88.4 127.51 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.425 0.69 . . . . 0.0 109.52 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -133.21 135.31 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.905 0.882 . . . . 0.0 110.555 -168.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.82 138.72 14.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.243 0.925 . . . . 0.0 111.102 170.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.4 mt -130.99 130.17 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.627 1.171 . . . . 0.0 108.732 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -133.3 108.57 8.82 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.053 0.541 . . . . 0.0 109.72 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.63 158.74 74.84 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 124.01 0.924 . . . . 0.0 111.257 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.08 162.42 32.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.927 2.418 . . . . 0.0 112.239 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.1 -11.39 58.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.569 0.748 . . . . 0.0 112.61 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -19.79 66.16 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.034 1.334 . . . . 0.0 112.627 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -128.21 164.79 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.848 0.859 . . . . 0.0 111.224 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 162.53 13.53 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.733 172.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -154.95 119.92 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.68 0.792 . . . . 0.0 110.078 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.56 176.16 12.01 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.695 0.798 . . . . 0.0 110.658 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -80.38 163.88 23.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.83 -0.544 . . . . 0.0 110.104 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.16 -31.18 68.75 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.912 0.485 . . . . 0.0 112.261 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -47.59 78.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.9 0.88 . . . . 0.0 111.443 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -86.84 -29.95 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.643 0.777 . . . . 0.0 110.327 -170.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -50.95 -36.7 40.17 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.298 1.039 . . . . 0.0 112.693 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.59 -21.93 63.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 112.395 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.48 -22.95 53.85 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.808 0.843 . . . . 0.0 110.737 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.455 -0.183 0 C-N-CA 124.822 1.249 . . . . 0.0 109.84 -177.578 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.0 ttp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.24 110.06 22.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.67 0.788 . . . . 0.0 109.534 -175.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -92.64 135.88 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -131.58 162.28 30.7 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.971 0.908 . . . . 0.0 110.169 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.8 m -126.18 100.81 6.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.67 139.45 52.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.363 1.065 . . . . 0.0 110.237 -167.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -106.78 161.09 14.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.008 0.367 . . . . 0.0 110.174 -169.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -49.55 125.26 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.926 0.49 . . . . 0.0 110.034 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.31 -7.12 80.8 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.375 0.988 . . . . 0.0 114.994 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -76.58 155.44 33.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.087 1.444 . . . . 0.0 111.645 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -128.78 147.19 50.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.627 0.771 . . . . 0.0 112.232 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 19.0 mm -124.66 156.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.647 1.979 . . . . 0.0 108.09 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -132.23 136.76 47.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.955 0.902 . . . . 0.0 110.247 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -132.68 130.69 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.187 0.995 . . . . 0.0 109.673 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.7 -130.68 36.99 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -126.65 2.31 6.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.664 0.785 . . . . 0.0 112.242 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -134.72 -13.53 2.22 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.2 135.78 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.074 0.852 . . . . 0.0 110.763 -173.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -130.07 141.51 50.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.414 1.086 . . . . 0.0 109.498 172.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -123.35 137.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.49 1.116 . . . . 0.0 108.771 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -129.64 143.38 50.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.906 0.882 . . . . 0.0 109.895 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -98.01 112.64 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 168.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.87 -23.12 39.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -169.14 36.74 Favored Glycine 0 C--N 1.338 0.658 0 C-N-CA 123.284 0.469 . . . . 0.0 113.259 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.53 155.9 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.66 0.784 . . . . 0.0 111.497 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -138.76 62.17 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.973 1.309 . . . . 0.0 109.575 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.26 -120.67 9.54 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -173.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.64 -4.87 51.13 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.457 0.703 . . . . 0.0 112.1 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.91 160.75 14.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.017 0.913 . . . . 0.0 112.344 169.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.59 126.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 126.38 1.872 . . . . 0.0 108.12 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -104.89 101.85 11.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.673 0.789 . . . . 0.0 110.371 -175.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 mt -107.63 139.39 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.816 1.646 . . . . 0.0 109.753 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.61 142.23 17.47 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 124.101 0.857 . . . . 0.0 111.441 169.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.51 138.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.224 1.41 . . . . 0.0 108.31 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -126.92 75.03 1.54 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.519 1.127 . . . . 0.0 109.242 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.85 44.47 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 125.151 1.38 . . . . 0.0 110.697 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.93 155.22 53.28 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.503 2.135 . . . . 0.0 110.525 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -68.58 -4.66 16.13 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.4 -23.11 63.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.934 0.894 . . . . 0.0 111.942 169.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -120.08 144.06 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.097 0.951 . . . . 0.0 111.849 174.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.76 143.08 38.28 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.406 1.082 . . . . 0.0 111.359 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.4 t -127.19 120.45 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.318 0.647 . . . . 0.0 109.549 170.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -149.27 -175.97 5.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.79 0.836 . . . . 0.0 110.69 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -132.38 165.87 23.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.686 171.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -24.02 67.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -169.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.424 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 40.1 tt0 -64.01 -20.06 65.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.326 1.051 . . . . 0.0 112.377 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.86 -25.12 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.492 1.517 . . . . 0.0 110.847 -173.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -60.2 -31.28 70.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 120.415 -1.428 . . . . 0.0 110.049 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.55 -9.87 59.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.732 0.813 . . . . 0.0 112.021 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.0 -26.47 21.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.138 0.975 . . . . 0.0 111.158 169.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.424 HG22 HE21 ' A' ' 52' ' ' GLN . 75.4 mt -69.65 -50.84 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.112 0.965 . . . . 0.0 109.191 173.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.424 HE21 HG22 ' A' ' 51' ' ' ILE . 40.4 mm-40 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.678 -0.201 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -115.35 124.06 50.28 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.143 1.377 . . . . 0.0 107.298 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.29 140.56 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -165.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt -136.91 141.57 42.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.202 1.401 . . . . 0.0 110.841 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 m -120.23 104.8 10.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -129.8 163.26 26.63 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.939 0.896 . . . . 0.0 110.633 -170.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -97.37 170.21 9.22 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -64.74 134.13 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.743 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.37 -2.79 68.39 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.352 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -85.91 161.81 18.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.917 1.359 . . . . 0.0 111.906 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -129.44 146.92 51.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.415 0.686 . . . . 0.0 111.878 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 11.1 mt -130.44 153.78 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.729 1.612 . . . . 0.0 109.074 -172.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -136.18 141.47 44.06 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.639 -0.663 . . . . 0.0 112.218 -169.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -134.6 131.11 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.88 0.872 . . . . 0.0 109.931 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.05 -136.95 50.82 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.74 4.92 7.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.931 0.893 . . . . 0.0 112.602 173.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -115.64 -16.88 11.24 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.18 134.97 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 119.315 0.961 . . . . 0.0 111.368 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -132.78 151.0 52.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.863 1.265 . . . . 0.0 109.961 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.93 147.6 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.289 1.836 . . . . 0.0 108.043 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -138.54 125.99 21.85 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.914 0.485 . . . . 0.0 110.057 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.44 103.21 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -73.06 -31.24 64.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.195 -0.315 . . . . 0.0 110.674 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 168.99 20.63 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.63 146.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.542 0.687 . . . . 0.0 110.165 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -125.31 70.36 1.17 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.156 1.382 . . . . 0.0 107.411 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.04 -123.69 6.19 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.241 -171.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.41 8.23 41.35 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.102 0.561 . . . . 0.0 110.961 172.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -98.96 154.05 18.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 109.263 170.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.6 113.36 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.71 119.12 26.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.741 1.217 . . . . 0.0 109.524 -179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.61 133.32 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.79 0.836 . . . . 0.0 110.047 -169.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.75 137.32 13.61 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.0 mt -117.28 132.66 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.816 0.817 . . . . 0.0 109.192 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -132.26 77.24 1.74 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.602 -167.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 156.84 63.03 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.404 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.93 156.09 30.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.768 1.646 . . . . 0.0 110.554 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.36 -0.67 3.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.32 0.648 . . . . 0.0 112.175 169.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.536 1.535 . . . . 0.0 111.512 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -114.49 144.09 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.455 1.102 . . . . 0.0 110.532 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.37 142.97 28.92 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.433 0.635 . . . . 0.0 111.499 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.38 99.7 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.295 -166.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.91 163.22 36.82 Favored 'General case' 0 CA--C 1.524 -0.048 0 C-N-CA 123.163 0.585 . . . . 0.0 112.14 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.4 ptm180 -71.51 158.34 36.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.012 0.525 . . . . 0.0 111.397 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -51.04 -41.84 60.11 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.859 0.864 . . . . 0.0 112.277 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -47.99 -48.66 32.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.835 0.454 . . . . 0.0 110.956 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mm -76.69 -47.53 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 125.058 1.343 . . . . 0.0 110.01 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.21 -38.03 50.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.464 1.106 . . . . 0.0 111.874 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.12 -25.58 65.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -82.17 -39.11 23.66 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.053 0.842 . . . . 0.0 110.587 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.6 -40.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -80.67 4.94 17.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.52 -9.98 59.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.45 0.7 . . . . 0.0 112.459 169.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.65 43.97 0.23 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.888 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.25 -175.53 2.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.689 0.744 . . . . 0.0 112.628 -167.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.1 p -130.84 177.77 7.17 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.221 1.408 . . . . 0.0 109.099 167.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.25 122.86 0.88 Allowed Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 124.678 1.191 . . . . 0.0 111.923 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.31 151.85 21.58 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.634 2.889 . . . . 0.0 113.376 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 CA--C 1.529 0.172 0 C-N-CA 124.284 1.033 . . . . 0.0 113.499 170.314 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' MET . . . . . 0.426 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.2 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.79 105.56 9.05 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 126.567 1.947 . . . . 0.0 106.119 164.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -82.68 137.63 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.431 1.092 . . . . 0.0 109.922 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -133.11 140.83 47.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.721 1.208 . . . . 0.0 110.186 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -103.07 128.4 49.97 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.835 0.454 . . . . 0.0 110.81 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -120.52 153.82 36.17 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.442 0.697 . . . . 0.0 110.39 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.504 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -90.39 162.04 15.3 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 167.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.8 139.45 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 O-C-N 120.909 -1.12 . . . . 0.0 111.754 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.5 89.39 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.753 1.168 . . . . 0.0 113.781 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -90.58 166.78 13.01 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.966 1.383 . . . . 0.0 112.006 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -128.63 162.89 26.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -169.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -140.75 160.64 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 127.293 2.237 . . . . 0.0 108.221 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -131.04 147.36 52.62 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.718 1.207 . . . . 0.0 111.36 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.53 139.63 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.546 1.139 . . . . 0.0 108.999 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.37 -137.46 49.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.62 8.01 9.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.007 0.923 . . . . 0.0 111.58 170.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.97 -9.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.069 0.947 . . . . 0.0 112.952 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.28 138.07 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.366 0.666 . . . . 0.0 110.739 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -130.77 146.18 52.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.94 1.296 . . . . 0.0 109.372 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -127.07 143.98 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.249 1.419 . . . . 0.0 108.146 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -134.27 129.0 34.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.848 0.459 . . . . 0.0 109.92 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.83 112.25 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 169.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.73 -45.56 14.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.666 -0.647 . . . . 0.0 110.138 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.12 177.67 47.77 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.072 168.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -112.85 150.58 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.112 0.565 . . . . 0.0 110.846 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -146.22 108.64 4.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 169.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.93 -142.07 30.23 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.409 -169.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.55 0.41 50.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.25 1.02 . . . . 0.0 110.84 168.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.98 145.86 27.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.848 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -133.55 116.28 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -78.82 114.94 18.18 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mt -119.64 133.45 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.899 1.279 . . . . 0.0 109.08 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.3 142.12 15.42 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.543 1.068 . . . . 0.0 112.115 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -122.9 130.98 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.848 1.259 . . . . 0.0 108.641 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -126.37 97.69 5.15 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.434 0.694 . . . . 0.0 109.718 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.43 156.07 80.52 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.168 0.987 . . . . 0.0 110.324 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.86 151.91 83.09 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.76 2.306 . . . . 0.0 110.946 170.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.96 -0.89 3.44 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.219 0.608 . . . . 0.0 112.578 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.91 -22.08 66.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.352 1.061 . . . . 0.0 111.211 168.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -126.38 152.9 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.366 1.066 . . . . 0.0 110.714 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.63 155.43 19.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.831 0.453 . . . . 0.0 111.679 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.56 133.06 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.239 0.616 . . . . 0.0 109.798 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -154.23 167.59 29.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.538 0.735 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -75.79 159.87 30.58 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 166.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.19 -32.85 71.48 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 118.299 0.499 . . . . 0.0 111.527 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -57.97 -47.68 82.23 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.973 0.909 . . . . 0.0 111.787 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.66 -30.99 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.36 0.664 . . . . 0.0 110.74 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -53.44 -36.91 62.07 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.293 1.037 . . . . 0.0 111.892 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.97 -25.87 67.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.573 0.749 . . . . 0.0 112.585 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -73.19 -39.4 65.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.347 0.659 . . . . 0.0 111.726 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.455 -0.212 0 O-C-N 121.995 -0.441 . . . . 0.0 109.834 176.166 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.9 109.49 15.17 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.722 1.609 . . . . 0.0 109.232 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -102.64 143.27 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 125.578 1.551 . . . . 0.0 110.358 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 94.1 mt -140.92 166.05 25.84 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 125.485 1.514 . . . . 0.0 111.419 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.83 112.34 23.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.78 0.832 . . . . 0.0 109.118 166.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.93 144.5 36.79 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.237 0.615 . . . . 0.0 111.12 169.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -86.06 161.4 18.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.227 0.611 . . . . 0.0 109.8 168.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 m -51.81 138.41 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 168.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.55 -0.05 86.62 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.191 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -99.25 171.7 7.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.581 1.19 . . . . 0.0 111.885 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -136.43 158.76 43.66 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mm -141.07 155.28 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 128.075 2.55 . . . . 0.0 108.096 -172.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -133.33 150.16 51.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.312 -0.868 . . . . 0.0 112.319 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.95 139.79 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.769 1.228 . . . . 0.0 109.163 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.76 -135.62 51.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -128.77 10.04 5.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 112.6 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -131.94 -6.9 3.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -115.28 136.4 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.203 0.91 . . . . 0.0 111.02 -171.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 37.0 m -128.4 147.06 50.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.76 1.224 . . . . 0.0 109.846 175.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.04 140.66 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.376 1.471 . . . . 0.0 108.228 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 52.0 m -137.21 127.52 26.42 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.241 0.616 . . . . 0.0 109.514 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.07 107.41 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 mt -79.82 -30.38 40.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.842 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.72 -175.95 43.72 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 120.988 0.215 . . . . 0.0 113.203 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 p -132.21 132.77 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.619 1.167 . . . . 0.0 110.064 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -135.36 90.3 2.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.936 1.294 . . . . 0.0 108.988 -173.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.47 -119.74 9.56 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.587 -0.696 . . . . 0.0 111.559 -172.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.504 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.5 mp0 -93.2 -11.07 33.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.866 0.866 . . . . 0.0 110.575 174.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -77.52 149.29 34.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.442 0.639 . . . . 0.0 111.407 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.0 120.01 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 107.055 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.83 109.19 21.2 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.07 0.948 . . . . 0.0 108.823 -173.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.1 127.15 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.633 0.773 . . . . 0.0 109.938 -169.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.26 137.66 13.49 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 124.169 0.89 . . . . 0.0 110.988 173.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' C' ' 1' ' ' MET . 5.2 mp -122.57 141.99 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.792 0.837 . . . . 0.0 109.06 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.06 102.98 4.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.637 0.775 . . . . 0.0 109.283 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.7 156.81 72.81 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.582 1.153 . . . . 0.0 109.304 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.72 151.66 82.57 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.235 1.956 . . . . 0.0 110.828 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -70.27 -1.07 9.28 Favored 'General case' 0 CA--C 1.526 0.029 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -20.9 65.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.872 1.269 . . . . 0.0 111.518 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -126.41 160.06 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.391 1.076 . . . . 0.0 110.854 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.34 157.1 16.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -149.78 122.66 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.116 0.566 . . . . 0.0 109.89 167.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -149.41 162.61 39.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.628 0.771 . . . . 0.0 111.03 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -60.54 155.37 18.73 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 122.921 0.488 . . . . 0.0 109.72 169.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -64.28 -26.27 68.41 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.796 0.725 . . . . 0.0 111.879 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.03 -18.65 59.17 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -98.62 -33.54 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.879 1.272 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.55 -44.11 72.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.94 0.896 . . . . 0.0 110.391 172.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -65.82 -23.94 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -74.84 -42.18 58.46 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.699 0.681 . . . . 0.0 110.628 171.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 178.287 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.93 136.0 51.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.364 1.865 . . . . 0.0 108.315 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 mm -113.8 137.95 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.25 1.02 . . . . 0.0 109.084 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 tp -154.37 140.88 18.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.126 0.57 . . . . 0.0 110.544 -168.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 138.15 51.07 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.599 0.76 . . . . 0.0 110.031 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -142.62 124.31 15.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.155 0.982 . . . . 0.0 109.633 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -90.26 165.1 14.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.891 1.223 . . . . 0.0 112.063 171.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -59.14 138.21 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.15 -169.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.06 -3.87 84.59 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 123.94 0.781 . . . . 0.0 114.391 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -94.28 176.61 6.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.624 1.212 . . . . 0.0 111.068 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.9 m -141.08 158.9 43.29 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -137.82 155.95 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 126.949 2.1 . . . . 0.0 108.583 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -133.25 151.18 51.91 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.331 -0.855 . . . . 0.0 112.828 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -137.16 143.75 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.666 1.186 . . . . 0.0 109.142 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -138.13 49.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.16 9.98 8.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.905 0.882 . . . . 0.0 111.821 172.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -141.0 -1.06 1.42 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.6 136.01 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.975 0.807 . . . . 0.0 110.904 -174.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -129.15 145.52 51.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.52 1.128 . . . . 0.0 110.17 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -126.19 138.08 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.721 1.608 . . . . 0.0 108.179 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.3 m -134.51 130.06 36.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.947 0.499 . . . . 0.0 110.072 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -82.91 106.69 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.21 -28.67 60.06 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.043 0.537 . . . . 0.0 110.92 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 -172.32 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.75 0.69 . . . . 0.0 113.399 169.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.33 157.25 27.04 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 123.625 0.77 . . . . 0.0 111.926 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -146.62 92.02 2.1 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.735 1.214 . . . . 0.0 109.451 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -116.17 5.09 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 121.56 -0.712 . . . . 0.0 111.566 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -86.35 -13.08 47.53 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.764 0.782 . . . . 0.0 110.811 169.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.1 154.3 29.48 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.624 0.726 . . . . 0.0 110.81 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -146.58 104.56 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 126.899 2.079 . . . . 0.0 105.389 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -86.22 123.44 31.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.38 137.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 C-N-CA 123.191 0.596 . . . . 0.0 111.207 -168.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.91 144.59 16.08 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.565 1.078 . . . . 0.0 111.841 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.73 131.14 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.359 1.464 . . . . 0.0 108.79 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -132.78 100.2 4.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -172.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.3 155.82 75.56 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.794 1.238 . . . . 0.0 110.267 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.18 158.13 31.85 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.59 2.193 . . . . 0.0 111.669 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -69.17 -0.98 6.72 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.435 0.694 . . . . 0.0 112.572 169.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.93 -23.35 67.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.194 1.397 . . . . 0.0 111.988 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.3 157.85 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 110.986 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.72 156.69 16.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.976 0.51 . . . . 0.0 111.876 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.09 125.76 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.151 0.581 . . . . 0.0 110.826 171.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -152.13 171.09 18.44 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.401 1.081 . . . . 0.0 110.925 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -68.15 159.64 30.63 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.743 -0.598 . . . . 0.0 109.473 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.51 -25.22 65.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.277 0.231 . . . . 0.0 111.435 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -66.04 -51.64 56.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.993 0.917 . . . . 0.0 111.469 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.68 -30.88 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 109.778 -175.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -56.18 -35.29 67.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.587 0.755 . . . . 0.0 112.531 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.18 -25.68 63.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.734 -0.604 . . . . 0.0 112.265 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.07 -24.02 60.62 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.094 0.557 . . . . 0.0 110.209 175.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 83.5 mt -99.07 -27.88 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.321 1.448 . . . . 0.0 112.112 -173.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 175.59 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.484 0.183 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -97.29 148.89 22.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.073 0.549 . . . . 0.0 111.337 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.07 136.46 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.948 0.899 . . . . 0.0 108.905 171.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt -132.91 159.57 39.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.714 1.206 . . . . 0.0 109.846 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -128.59 98.03 4.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.299 169.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -105.01 162.18 13.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.079 1.752 . . . . 0.0 110.968 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -122.92 173.41 7.81 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -53.17 134.79 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.883 -172.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.58 73.73 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.287 0.946 . . . . 0.0 114.889 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.39 172.62 9.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.458 1.629 . . . . 0.0 112.864 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.98 155.02 48.34 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.495 -0.753 . . . . 0.0 112.82 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.5 mm -128.11 157.26 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.857 2.063 . . . . 0.0 108.236 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -128.45 150.4 50.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.37 0.668 . . . . 0.0 112.125 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 mt -134.6 143.8 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.66 1.184 . . . . 0.0 108.963 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.26 -134.93 51.92 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -125.56 10.03 7.82 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.049 0.939 . . . . 0.0 111.61 174.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -141.58 -11.94 0.9 Allowed 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.98 136.69 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 119.133 0.879 . . . . 0.0 110.502 -173.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -129.33 144.07 51.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.374 1.069 . . . . 0.0 110.39 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -124.9 142.25 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.497 1.519 . . . . 0.0 108.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 58.7 m -139.48 141.14 37.38 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.642 0.777 . . . . 0.0 110.373 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -99.1 108.91 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.46 -32.75 48.55 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.897 0.479 . . . . 0.0 110.399 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.19 -177.7 35.64 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.173 0.416 . . . . 0.0 113.104 169.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.81 153.93 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.303 0.641 . . . . 0.0 111.782 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -141.57 89.94 2.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.919 1.288 . . . . 0.0 109.247 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.63 -103.98 1.29 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.947 -0.471 . . . . 0.0 111.938 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -98.9 -21.98 16.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.518 0.659 . . . . 0.0 112.037 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.8 147.24 47.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.54 0.686 . . . . 0.0 110.222 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -135.91 114.59 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -89.39 123.67 33.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -128.5 141.75 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.677 1.191 . . . . 0.0 109.877 -167.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.69 138.54 14.77 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 170.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -127.0 138.53 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.017 0.927 . . . . 0.0 109.541 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -136.3 102.19 4.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.669 0.788 . . . . 0.0 109.759 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.48 158.36 70.01 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.276 1.031 . . . . 0.0 111.458 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.87 162.68 31.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.934 2.422 . . . . 0.0 112.389 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.37 -4.66 27.42 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.557 0.743 . . . . 0.0 112.694 172.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.48 -17.55 62.97 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.754 1.222 . . . . 0.0 112.482 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -129.69 167.91 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.018 0.927 . . . . 0.0 111.257 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.2 163.74 12.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.811 0.844 . . . . 0.0 111.396 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.1 125.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.395 173.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -152.89 177.54 10.64 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.906 0.882 . . . . 0.0 110.596 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -76.99 166.32 23.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.814 -0.554 . . . . 0.0 109.808 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -59.56 -29.3 67.83 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -61.18 -54.03 49.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.347 0.659 . . . . 0.0 110.835 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.93 -31.12 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 122.947 0.499 . . . . 0.0 110.405 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -50.33 -35.24 26.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.198 0.999 . . . . 0.0 113.034 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -60.24 -21.97 62.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.978 0.911 . . . . 0.0 112.395 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -75.64 -45.77 35.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.505 0.722 . . . . 0.0 109.502 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.674 1.189 . . . . 0.0 110.228 -178.644 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tmm? . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 113.98 27.84 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.707 0.685 . . . . 0.0 109.79 -174.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.45 140.07 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.224 1.01 . . . . 0.0 110.522 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.0 mt -133.48 160.75 36.48 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.333 1.053 . . . . 0.0 109.862 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -127.99 100.86 6.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -127.06 142.76 51.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.824 -0.548 . . . . 0.0 110.788 -169.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -96.48 162.48 13.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.584 1.154 . . . . 0.0 110.25 -168.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 m -62.32 129.3 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 119.85 -0.74 . . . . 0.0 112.086 -169.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.9 57.02 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.412 1.005 . . . . 0.0 114.174 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -90.25 164.15 14.5 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.847 1.323 . . . . 0.0 111.942 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -133.71 147.71 51.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -169.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.8 mm -114.19 154.69 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 125.442 1.497 . . . . 0.0 109.956 174.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -127.39 136.66 52.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.1 0.96 . . . . 0.0 110.643 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mt -131.85 130.55 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.511 1.125 . . . . 0.0 109.427 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.43 -129.5 25.56 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -130.0 3.56 4.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.861 0.864 . . . . 0.0 112.431 172.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -135.15 -13.35 2.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -169.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.42 138.97 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.935 0.789 . . . . 0.0 110.416 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -136.31 146.82 47.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.655 0.782 . . . . 0.0 109.049 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -125.54 141.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.626 1.171 . . . . 0.0 107.954 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -136.12 125.98 25.76 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.0 105.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -33.62 64.85 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -169.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -170.97 38.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 165.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 m -91.23 160.37 2.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 C-N-CA 124.4 1.08 . . . . 0.0 111.973 -172.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -151.08 60.95 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.007 0.923 . . . . 0.0 110.623 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.64 -132.98 12.45 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -86.42 19.91 2.62 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.839 0.855 . . . . 0.0 111.901 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -129.15 153.0 48.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.006 1.322 . . . . 0.0 110.928 171.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.83 134.6 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.866 1.666 . . . . 0.0 109.9 -167.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -98.45 101.92 13.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.727 0.811 . . . . 0.0 110.027 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -107.07 134.33 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.279 1.431 . . . . 0.0 109.281 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.0 139.74 15.69 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.039 0.828 . . . . 0.0 111.749 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.47 138.83 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.17 1.388 . . . . 0.0 108.747 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -126.31 74.96 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.758 1.223 . . . . 0.0 109.65 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.72 153.52 45.92 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.991 175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -75.51 155.84 40.66 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.816 2.344 . . . . 0.0 110.633 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.41 -4.08 13.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -68.72 -25.57 64.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.961 0.905 . . . . 0.0 112.003 169.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -117.15 144.07 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.805 0.812 . . . . 0.0 111.653 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.33 143.09 32.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.75 0.82 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.54 127.99 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.708 0.403 . . . . 0.0 110.205 171.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -151.66 -175.99 5.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 110.011 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.44 168.07 15.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 170.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.32 -41.87 66.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.879 1.272 . . . . 0.0 112.338 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.89 -25.05 56.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.368 1.467 . . . . 0.0 112.989 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.32 -23.32 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.064 1.345 . . . . 0.0 111.086 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -62.57 -32.43 73.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.394 0.678 . . . . 0.0 110.378 -175.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -75.43 -10.59 59.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.19 0.596 . . . . 0.0 112.134 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.76 -34.21 30.55 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.205 1.002 . . . . 0.0 110.475 169.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.1 -53.96 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.933 0.893 . . . . 0.0 108.633 172.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 123.9 0.88 . . . . 0.0 112.461 -174.655 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.81 -0.138 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.26 121.57 43.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -118.19 139.83 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.053 0.541 . . . . 0.0 112.077 -165.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -135.63 143.3 45.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.278 1.431 . . . . 0.0 110.716 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -120.13 102.44 8.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -130.77 151.89 50.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 123.92 0.888 . . . . 0.0 112.065 -168.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -77.3 160.07 29.11 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.646 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.13 137.09 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.04 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.09 -5.65 68.6 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.058 -0.856 . . . . 0.0 114.601 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -86.2 160.66 19.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 119.034 1.417 . . . . 0.0 112.211 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.8 m -124.87 146.43 49.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.222 1.009 . . . . 0.0 111.326 -173.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 7.4 mt -135.75 151.79 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.127 1.371 . . . . 0.0 109.157 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -135.96 143.55 44.94 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -134.91 129.73 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.414 1.085 . . . . 0.0 109.747 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.02 -136.31 51.0 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -121.35 -0.26 9.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.714 0.806 . . . . 0.0 112.348 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.78 -18.41 10.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.584 0.754 . . . . 0.0 112.973 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 133.12 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.816 0.735 . . . . 0.0 110.77 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.7 m -128.87 148.09 50.87 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.249 1.02 . . . . 0.0 109.792 169.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -126.42 146.22 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 126.027 1.731 . . . . 0.0 107.818 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -136.74 129.32 30.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.77 99.69 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 170.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -68.7 -33.08 73.33 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.048 -0.408 . . . . 0.0 110.626 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.36 -176.67 37.01 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 172.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.06 145.04 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 110.192 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -116.63 73.49 0.86 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 170.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.52 -117.92 4.9 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.649 -172.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 9.58 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.111 -0.64 . . . . 0.0 111.182 174.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.9 155.63 17.3 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.294 1.038 . . . . 0.0 109.608 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 t -134.03 117.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.57 115.7 22.75 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.868 1.267 . . . . 0.0 109.388 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.95 129.85 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.212 1.005 . . . . 0.0 109.692 -171.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.04 140.9 15.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -124.99 130.59 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 121.957 0.884 . . . . 0.0 109.207 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.94 74.95 1.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.264 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.57 157.53 51.59 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.255 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' B' ' 39' ' ' ASP . 21.4 Cg_endo -60.2 154.89 48.89 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.46 1.44 . . . . 0.0 110.186 168.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -69.3 -0.7 6.59 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.795 1.238 . . . . 0.0 113.01 170.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' B' ' 37' ' ' PRO . 1.6 t70 -65.83 -24.84 66.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.702 1.601 . . . . 0.0 111.131 169.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -112.29 144.15 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.584 1.154 . . . . 0.0 110.145 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -85.39 143.01 28.88 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.498 0.666 . . . . 0.0 111.381 170.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 t -142.81 98.69 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.198 -166.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.422 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -143.89 162.29 36.5 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.83 0.852 . . . . 0.0 111.161 176.459 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.4 ptt-85 -68.34 155.84 38.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.046 0.539 . . . . 0.0 111.267 169.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.71 -41.55 73.98 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 123.292 0.637 . . . . 0.0 112.642 -171.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.19 -24.07 66.05 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.65 -50.18 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.023 0.929 . . . . 0.0 110.732 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -51.1 -35.66 36.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.448 1.099 . . . . 0.0 111.909 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.97 -21.25 62.34 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -79.67 -39.79 30.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 119.509 1.05 . . . . 0.0 110.23 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.14 -40.54 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -175.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -80.35 4.98 16.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.91 -19.52 44.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.046 0.539 . . . . 0.0 111.566 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.91 46.68 0.08 OUTLIER Glycine 0 C--N 1.338 0.668 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.37 169.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.04 -176.07 2.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.944 0.872 . . . . 0.0 112.812 -168.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 32.1 p -126.33 -179.58 4.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.429 1.492 . . . . 0.0 109.462 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.79 120.01 1.7 Allowed Pre-proline 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.399 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -66.71 172.04 10.02 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.963 1.775 . . . . 0.0 114.674 -169.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-N 114.327 -1.306 . . . . 0.0 112.417 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.094 -0.479 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.69 107.82 17.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 168.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -80.74 133.25 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.511 0.724 . . . . 0.0 109.526 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.46 135.02 48.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.013 0.925 . . . . 0.0 109.143 168.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -91.5 153.07 20.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.404 ' HD3' HG13 ' C' ' 12' ' ' ILE . 15.1 ttp180 -146.03 143.63 29.55 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.498 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 5.0 tptm -99.81 148.41 24.45 Favored 'General case' 0 C--N 1.334 -0.071 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.19 133.09 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.921 0.782 . . . . 0.0 112.149 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 -10.21 65.91 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 125.313 1.435 . . . . 0.0 114.68 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -90.08 -179.63 5.72 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.595 1.698 . . . . 0.0 112.589 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.39 160.84 39.81 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -167.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.404 HG13 ' HD3' ' C' ' 6' ' ' ARG . 78.3 mt -134.92 157.11 40.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 C-N-CA 127.051 2.14 . . . . 0.0 109.148 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -123.42 146.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.583 1.153 . . . . 0.0 111.759 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -132.61 137.85 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.505 1.122 . . . . 0.0 108.864 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -136.15 50.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -123.66 8.6 8.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.157 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -128.76 -9.11 5.0 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.116 0.966 . . . . 0.0 113.381 -169.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.05 136.62 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.596 0.635 . . . . 0.0 110.512 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -128.96 141.48 51.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.536 1.134 . . . . 0.0 109.596 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -125.24 140.85 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.929 1.292 . . . . 0.0 108.344 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -131.77 135.31 46.69 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.64 0.655 . . . . 0.0 111.016 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -84.7 104.38 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 168.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.03 -37.75 46.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.64 -172.45 41.84 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 167.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.35 162.08 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.211 0.529 . . . . 0.0 111.268 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.2 71.06 1.34 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.998 1.319 . . . . 0.0 108.729 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -109.0 2.66 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -168.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -96.33 -8.39 32.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.182 0.993 . . . . 0.0 112.176 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -75.88 158.58 31.91 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.83 0.824 . . . . 0.0 112.199 172.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -137.83 108.9 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 126.198 1.799 . . . . 0.0 106.59 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -77.48 113.06 14.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.61 128.89 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.674 1.19 . . . . 0.0 109.841 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.71 139.19 15.27 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 125.031 1.301 . . . . 0.0 110.893 169.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.5 mt -128.82 131.28 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -132.47 95.38 3.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.94 154.55 68.57 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.846 0.858 . . . . 0.0 110.425 -176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.38 154.36 68.77 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.95 2.433 . . . . 0.0 111.352 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.63 -1.01 3.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.321 0.649 . . . . 0.0 112.604 171.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.89 -22.84 66.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.217 1.007 . . . . 0.0 111.346 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.84 148.81 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.137 0.975 . . . . 0.0 110.653 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 154.55 21.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.716 0.406 . . . . 0.0 111.188 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.63 129.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.169 0.588 . . . . 0.0 109.553 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -155.04 156.0 35.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 118.299 0.499 . . . . 0.0 112.006 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -75.76 161.64 28.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 166.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -33.14 71.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.15 -45.12 87.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.626 0.77 . . . . 0.0 111.632 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -88.54 -30.62 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.306 0.642 . . . . 0.0 110.64 -172.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.0 -38.14 55.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.722 0.809 . . . . 0.0 112.252 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.95 -30.82 68.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.764 0.826 . . . . 0.0 112.511 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -70.15 -35.66 74.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.301 0.64 . . . . 0.0 111.73 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.454 -0.244 0 O-C-N 121.844 -0.535 . . . . 0.0 110.046 177.538 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mmm . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.856 -0.053 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -125.37 111.4 15.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.705 1.202 . . . . 0.0 108.346 168.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.71 139.0 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.786 1.234 . . . . 0.0 109.62 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.76 159.88 38.73 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.635 . . . . 0.0 112.034 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -94.61 138.48 32.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.138 0.575 . . . . 0.0 111.358 173.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.94 145.04 51.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.467 1.107 . . . . 0.0 108.688 167.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -94.77 163.44 13.35 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 118.25 0.477 . . . . 0.0 111.343 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -49.22 138.76 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.43 -1.79 84.43 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.097 0.856 . . . . 0.0 114.002 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -99.93 172.42 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.536 1.168 . . . . 0.0 112.472 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -132.0 158.34 41.76 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -169.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . 0.421 HG23 ' H ' ' D' ' 13' ' ' ASN . 3.5 mt -143.9 164.45 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 126.909 2.084 . . . . 0.0 108.51 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . 0.421 ' H ' HG23 ' D' ' 12' ' ' ILE . 26.3 m120 -143.59 146.01 32.96 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.105 0.962 . . . . 0.0 111.78 -171.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.11 136.9 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.865 1.266 . . . . 0.0 109.158 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.2 -136.37 51.01 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -123.46 7.04 8.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.981 0.912 . . . . 0.0 111.821 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -131.15 -10.96 3.72 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.08 136.1 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.836 0.744 . . . . 0.0 110.503 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -131.14 143.8 50.91 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.422 1.089 . . . . 0.0 109.842 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -123.45 143.09 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.816 1.246 . . . . 0.0 108.354 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -133.07 129.13 37.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.536 0.735 . . . . 0.0 109.19 176.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.77 102.99 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.0 -33.07 61.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.231 0.613 . . . . 0.0 110.549 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.62 179.31 43.32 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-O 121.115 0.286 . . . . 0.0 113.171 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.95 133.1 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.639 1.176 . . . . 0.0 109.597 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -132.63 72.64 1.5 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.711 1.204 . . . . 0.0 109.523 -169.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -117.96 4.55 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.498 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -93.14 -8.72 41.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.415 0.686 . . . . 0.0 110.563 171.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -74.04 151.73 40.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.785 0.803 . . . . 0.0 111.445 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -132.88 117.32 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -92.55 111.28 22.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.096 0.958 . . . . 0.0 108.703 -175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -119.54 123.48 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.52 0.728 . . . . 0.0 110.411 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.98 132.62 11.31 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 170.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -120.48 140.03 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -138.09 100.84 4.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -174.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.71 154.41 81.46 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.236 1.014 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.34 149.97 82.98 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.011 1.807 . . . . 0.0 110.67 170.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -67.8 -2.87 7.92 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.202 0.601 . . . . 0.0 112.346 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 -21.59 66.43 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.855 1.262 . . . . 0.0 111.649 169.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.18 156.95 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.135 0.974 . . . . 0.0 110.622 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.34 156.96 16.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.923 0.489 . . . . 0.0 111.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.48 126.87 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 O-C-N 122.042 -0.411 . . . . 0.0 109.921 168.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -148.77 159.21 44.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 111.194 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -64.64 152.6 41.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.707 0.403 . . . . 0.0 110.046 169.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.37 -36.04 75.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.959 0.799 . . . . 0.0 112.316 -171.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.48 -28.67 67.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.95 -39.94 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.756 0.822 . . . . 0.0 110.456 174.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.81 -38.75 61.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.7 1.2 . . . . 0.0 111.817 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.12 -23.29 66.46 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.974 0.909 . . . . 0.0 113.018 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.75 -39.48 70.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.688 0.676 . . . . 0.0 110.63 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.436 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.455 -0.219 0 C-N-CA 125.917 1.687 . . . . 0.0 109.658 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.05 147.62 32.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.777 0.431 . . . . 0.0 111.368 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.84 117.58 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 170.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.98 160.44 18.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.009 1.323 . . . . 0.0 110.301 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.79 114.44 14.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 168.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.04 147.91 44.23 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.253 1.021 . . . . 0.0 110.025 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -94.46 168.8 10.64 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.941 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.89 139.84 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.003 0.43 . . . . 0.0 111.867 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -2.52 86.28 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 123.906 0.765 . . . . 0.0 113.979 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -91.75 174.61 7.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.651 1.225 . . . . 0.0 111.81 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 40.5 m -136.05 157.6 46.45 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -174.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mm -137.41 149.65 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 127.542 2.337 . . . . 0.0 107.753 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -130.35 152.99 49.16 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 119.62 1.1 . . . . 0.0 113.493 -174.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.89 139.21 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 125.12 1.368 . . . . 0.0 109.559 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.43 -141.02 47.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.6 6.93 11.67 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.961 0.904 . . . . 0.0 111.641 172.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -138.04 -6.98 1.61 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.53 132.36 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.779 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.1 m -126.47 141.06 52.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.039 0.936 . . . . 0.0 110.251 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -118.74 137.42 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.325 1.45 . . . . 0.0 108.404 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -132.18 127.95 36.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.235 0.614 . . . . 0.0 109.884 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.62 106.4 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.07 -31.71 61.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.063 -0.398 . . . . 0.0 110.395 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.18 -174.51 36.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -115.46 156.73 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.89 0.876 . . . . 0.0 112.013 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.53 90.0 1.97 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.194 1.398 . . . . 0.0 109.167 170.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -114.7 6.64 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 121.429 -0.794 . . . . 0.0 111.29 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -91.13 -20.49 21.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.931 0.865 . . . . 0.0 111.596 172.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -71.0 149.54 46.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.256 0.55 . . . . 0.0 110.664 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.82 117.22 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -173.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -80.7 116.43 20.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.587 0.755 . . . . 0.0 109.383 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -123.87 131.0 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.495 0.718 . . . . 0.0 110.134 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.37 142.66 15.81 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.45 1.024 . . . . 0.0 111.565 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.2 mt -133.44 125.66 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.827 1.251 . . . . 0.0 108.961 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.71 99.01 5.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 154.79 78.5 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.65 1.18 . . . . 0.0 110.695 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.49 158.3 41.78 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.985 2.457 . . . . 0.0 112.061 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -72.49 -1.05 14.37 Favored 'General case' 0 N--CA 1.457 -0.075 0 C-N-CA 123.393 0.677 . . . . 0.0 112.672 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.88 -22.48 65.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.654 1.182 . . . . 0.0 111.808 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.77 159.27 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.159 0.984 . . . . 0.0 110.655 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.75 158.51 15.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 128.63 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.081 0.553 . . . . 0.0 110.237 169.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -149.22 167.37 26.2 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.913 0.885 . . . . 0.0 110.533 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 -76.63 162.27 27.88 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 121.666 -0.646 . . . . 0.0 110.117 169.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.13 -28.61 68.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.64 -53.5 57.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.771 0.828 . . . . 0.0 111.508 170.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -78.04 -32.92 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.643 0.777 . . . . 0.0 109.734 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -52.44 -35.15 51.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.195 0.998 . . . . 0.0 112.567 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.5 -21.89 66.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.403 0.681 . . . . 0.0 112.593 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -71.52 -22.97 61.71 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.584 0.629 . . . . 0.0 110.746 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.77 -22.99 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.968 1.307 . . . . 0.0 109.774 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 171.164 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.192 0.044 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -97.49 148.42 23.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 111.455 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.79 136.94 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.972 0.909 . . . . 0.0 109.075 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -134.01 160.64 37.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.744 1.218 . . . . 0.0 110.102 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.38 99.25 6.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 168.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.64 144.01 36.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.346 1.059 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -102.61 168.28 9.38 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 m -56.36 135.04 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.286 -171.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.82 -8.49 70.77 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.321 0.962 . . . . 0.0 114.266 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -91.26 167.73 12.1 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.859 1.33 . . . . 0.0 112.319 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 63.4 m -133.21 152.65 51.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.423 0.689 . . . . 0.0 112.8 -170.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mm -133.98 153.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 126.697 1.999 . . . . 0.0 108.481 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -130.6 148.7 52.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.553 -0.717 . . . . 0.0 112.288 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -135.82 144.06 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.564 1.146 . . . . 0.0 108.98 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -131.32 51.87 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -128.9 10.0 5.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.275 1.03 . . . . 0.0 111.374 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.36 -18.37 0.89 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.99 137.91 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 118.869 0.759 . . . . 0.0 110.413 -172.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -131.7 139.17 48.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.53 1.132 . . . . 0.0 110.183 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -121.67 144.57 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.015 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -140.07 126.75 20.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.994 0.518 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -77.18 118.04 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -88.64 -29.5 19.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.062 0.545 . . . . 0.0 111.026 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.02 -175.31 35.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 113.903 0.321 . . . . 0.0 113.903 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.67 153.69 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 123.448 0.699 . . . . 0.0 112.137 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -142.21 89.95 2.21 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.182 1.393 . . . . 0.0 109.171 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 -102.9 1.28 Allowed Glycine 0 CA--C 1.525 0.707 0 O-C-N 121.795 -0.565 . . . . 0.0 111.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -99.52 -18.48 17.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 117.565 0.683 . . . . 0.0 112.087 171.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -74.93 146.1 42.08 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.349 0.595 . . . . 0.0 110.397 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -139.48 112.4 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -89.55 125.42 35.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.566 0.747 . . . . 0.0 109.263 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -132.36 129.9 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.94 0.896 . . . . 0.0 110.411 -168.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.59 142.07 15.92 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.155 0.883 . . . . 0.0 111.062 171.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.0 mt -136.58 125.66 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.894 0.877 . . . . 0.0 109.256 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -134.09 107.86 7.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.37 0.668 . . . . 0.0 109.721 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.32 78.05 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 123.705 0.802 . . . . 0.0 111.312 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.87 160.62 40.15 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.801 2.334 . . . . 0.0 112.227 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -64.53 -11.52 35.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.57 -15.91 62.29 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.77 1.228 . . . . 0.0 112.507 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.54 166.26 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.885 0.874 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.07 157.3 17.85 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.076 0.55 . . . . 0.0 111.564 170.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.1 117.25 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.214 0.605 . . . . 0.0 110.428 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -153.49 174.56 14.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.633 0.773 . . . . 0.0 111.189 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -80.11 163.32 24.22 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.804 -0.56 . . . . 0.0 110.204 168.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -60.76 -21.33 62.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.82 -49.58 72.31 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.672 0.789 . . . . 0.0 110.688 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -77.97 -31.4 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.318 0.647 . . . . 0.0 110.004 -173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -56.11 -34.96 66.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.823 0.849 . . . . 0.0 112.494 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -71.58 -22.66 61.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.18 0.592 . . . . 0.0 112.55 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -75.04 -22.97 58.08 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.344 0.658 . . . . 0.0 111.103 172.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.451 -0.378 0 C-N-CA 123.47 0.708 . . . . 0.0 110.27 -169.722 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.5 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.26 112.51 24.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.675 0.79 . . . . 0.0 109.848 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.29 137.66 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.663 0.785 . . . . 0.0 110.434 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 mt -132.06 153.88 49.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.195 0.998 . . . . 0.0 109.56 173.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -127.98 101.01 6.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 109.241 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 142.92 33.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.62 167.26 19.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.182 0.993 . . . . 0.0 112.856 -168.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.2 t -44.35 130.71 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.452 1.101 . . . . 0.0 110.241 167.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -11.73 70.79 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.5 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -79.52 172.38 13.87 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.456 1.628 . . . . 0.0 112.477 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -147.47 143.72 28.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.637 0.775 . . . . 0.0 111.955 -169.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.1 mm -113.57 153.44 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.952 1.301 . . . . 0.0 109.982 174.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -122.57 137.3 54.93 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.58 1.152 . . . . 0.0 109.817 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt -131.99 125.83 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.375 1.07 . . . . 0.0 109.478 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -128.29 28.84 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.68 1.45 7.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.801 0.841 . . . . 0.0 112.285 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -135.1 -25.61 1.36 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.72 134.94 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 119.071 0.85 . . . . 0.0 110.468 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -127.35 144.27 51.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 109.526 170.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -124.47 140.5 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.054 1.342 . . . . 0.0 107.981 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.8 m -138.34 132.39 31.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.341 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -83.09 103.28 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.9 -29.05 63.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.979 -0.451 . . . . 0.0 109.786 -176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.05 -172.52 41.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 113.728 0.251 . . . . 0.0 113.728 168.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.81 145.26 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.81 0.844 . . . . 0.0 110.948 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 m -136.98 65.16 1.51 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.932 1.293 . . . . 0.0 109.693 -170.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.98 -122.19 12.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.97 -12.47 60.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.611 0.764 . . . . 0.0 111.812 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -99.0 157.72 16.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.823 0.821 . . . . 0.0 112.419 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.41 125.38 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.766 1.627 . . . . 0.0 108.274 -169.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -101.62 101.95 12.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.477 0.711 . . . . 0.0 110.127 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mt -108.61 131.35 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.139 1.376 . . . . 0.0 109.505 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.9 138.26 14.08 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 123.845 0.736 . . . . 0.0 111.484 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -112.11 130.4 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.288 1.435 . . . . 0.0 107.936 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.28 74.97 1.02 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.209 1.004 . . . . 0.0 109.363 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.96 152.85 40.39 Favored Pre-proline 0 N--CA 1.453 -0.312 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.708 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.15 155.43 56.67 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.532 2.155 . . . . 0.0 110.398 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -69.18 -1.08 6.97 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.88 -31.06 71.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.774 0.829 . . . . 0.0 111.358 168.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.98 144.02 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 121.839 0.828 . . . . 0.0 111.343 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.0 32.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.818 0.847 . . . . 0.0 110.721 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.52 127.51 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.548 0.339 . . . . 0.0 110.345 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -151.11 -176.97 5.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.385 1.074 . . . . 0.0 109.971 -172.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -123.96 167.8 13.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 169.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.564 -173.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.97 -25.47 61.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.869 1.268 . . . . 0.0 112.981 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -117.63 -24.46 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 125.017 1.327 . . . . 0.0 111.168 -172.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -63.82 -30.58 71.66 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.487 0.715 . . . . 0.0 110.184 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.07 -13.28 60.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.667 0.787 . . . . 0.0 111.753 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.54 -34.65 35.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.342 1.057 . . . . 0.0 110.669 169.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.95 -54.01 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.928 0.891 . . . . 0.0 108.61 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 123.855 0.862 . . . . 0.0 112.758 -175.498 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.33 123.1 49.32 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 168.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -118.82 139.59 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -165.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -134.56 138.74 44.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.974 1.31 . . . . 0.0 110.548 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -115.42 103.76 11.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -129.11 157.96 40.3 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.97 0.908 . . . . 0.0 110.955 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -92.33 170.2 9.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.0 112.575 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -63.37 135.19 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.428 0.632 . . . . 0.0 111.056 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.18 -2.25 78.48 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 114.272 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.61 155.44 23.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.848 1.324 . . . . 0.0 112.087 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -123.45 146.02 48.36 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.307 1.043 . . . . 0.0 111.226 -173.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.3 mt -136.3 151.75 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.243 1.417 . . . . 0.0 109.258 -170.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -135.51 142.24 45.41 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -169.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -134.1 127.7 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.627 1.171 . . . . 0.0 109.509 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -136.72 50.52 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -119.66 -4.14 10.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.613 0.765 . . . . 0.0 112.382 172.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -107.18 -20.99 13.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.463 0.705 . . . . 0.0 112.795 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.21 134.54 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.853 0.752 . . . . 0.0 111.209 -169.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -129.65 148.41 51.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.789 1.236 . . . . 0.0 109.652 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -125.53 144.58 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.076 1.75 . . . . 0.0 107.76 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -136.06 127.18 27.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -79.2 105.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 170.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.51 -31.96 63.99 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.754 -0.591 . . . . 0.0 110.94 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.59 157.72 8.56 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-O 121.324 0.402 . . . . 0.0 112.574 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.68 144.69 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.7 t -130.08 73.99 1.56 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.33 -135.36 13.25 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.493 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.63 13.03 23.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.252 0.621 . . . . 0.0 110.197 167.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -98.8 143.35 29.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.89 117.38 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.998 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.37 117.56 24.37 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.826 1.25 . . . . 0.0 109.088 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -136.9 144.87 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.483 0.713 . . . . 0.0 111.319 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.27 144.66 15.86 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 124.034 0.826 . . . . 0.0 111.902 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.36 132.14 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.093 0.957 . . . . 0.0 108.667 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -130.69 83.11 2.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.404 -167.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.64 156.01 80.68 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.857 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -57.43 154.41 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 121.506 1.471 . . . . 0.0 110.672 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -71.15 -0.71 10.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.918 -0.489 . . . . 0.0 112.011 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.94 -25.16 67.0 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.969 1.308 . . . . 0.0 112.18 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -108.16 144.06 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.809 0.844 . . . . 0.0 110.376 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -88.79 142.52 27.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 111.526 171.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.22 97.97 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.608 -166.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.503 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.1 OUTLIER -147.09 160.72 42.08 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.632 0.773 . . . . 0.0 111.372 178.139 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -62.39 153.23 31.82 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.073 0.549 . . . . 0.0 111.567 169.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -54.24 -36.19 63.28 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 123.823 0.849 . . . . 0.0 112.408 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -51.22 63.61 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.636 0.653 . . . . 0.0 111.401 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -69.47 -44.23 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 110.773 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -51.43 -37.99 51.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.089 0.956 . . . . 0.0 112.086 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -79.68 -38.18 34.13 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.068 0.849 . . . . 0.0 110.295 173.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.41 -41.95 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -78.93 4.98 12.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.04 -18.26 53.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.938 -0.476 . . . . 0.0 111.442 168.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.1 45.53 0.09 OUTLIER Glycine 0 CA--C 1.524 0.647 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.284 168.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.82 -175.7 2.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.044 0.922 . . . . 0.0 112.952 -168.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -126.07 178.35 5.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.464 1.505 . . . . 0.0 109.351 167.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.51 117.18 1.15 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 124.333 1.053 . . . . 0.0 111.271 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -66.86 167.16 20.29 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.526 1.484 . . . . 0.0 114.754 -168.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.445 171.079 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 105.72 10.88 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.169 1.788 . . . . 0.0 106.213 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.69 133.03 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 123.373 0.669 . . . . 0.0 109.474 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.2 134.98 48.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.315 1.046 . . . . 0.0 109.19 169.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -91.17 151.08 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.08 131.75 18.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.28 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.492 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.6 tptm -77.57 153.6 33.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 170.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -58.95 135.87 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.005 0.431 . . . . 0.0 111.988 -175.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.39 -1.98 80.18 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.602 1.096 . . . . 0.0 114.16 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.75 164.15 11.99 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.021 1.411 . . . . 0.0 111.746 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -120.88 161.05 22.2 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -167.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -137.04 160.48 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.692 2.397 . . . . 0.0 108.026 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.96 150.91 52.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.035 -1.041 . . . . 0.0 112.068 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.6 mt -132.58 133.17 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.47 1.108 . . . . 0.0 108.979 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.93 -142.01 44.49 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.614 0.626 . . . . 0.0 112.048 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -114.88 0.51 13.78 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.598 1.159 . . . . 0.0 111.321 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -122.38 -12.07 8.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.12 134.62 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.845 0.748 . . . . 0.0 110.869 -173.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 33.4 m -120.92 146.8 46.25 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.381 1.072 . . . . 0.0 109.806 170.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -125.94 141.73 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.483 1.513 . . . . 0.0 108.08 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -132.45 135.06 45.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 170.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.8 tp -90.13 111.41 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 169.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.32 -46.49 10.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.859 -0.526 . . . . 0.0 111.136 -167.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.4 -178.04 46.36 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.822 169.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.3 154.51 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 CA-C-O 121.563 0.697 . . . . 0.0 112.223 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.25 110.37 5.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.958 2.103 . . . . 0.0 107.283 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.05 -117.21 7.85 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 119.362 0.983 . . . . 0.0 110.851 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -98.19 -9.26 25.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -86.33 145.68 26.81 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.004 0.907 . . . . 0.0 111.637 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -130.11 116.45 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 114.302 -1.317 . . . . 0.0 107.6 -168.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -76.67 114.12 15.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.99 136.58 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.884 1.674 . . . . 0.0 109.656 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 138.59 15.0 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.291 0.948 . . . . 0.0 112.037 172.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -127.46 124.22 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.772 1.229 . . . . 0.0 108.931 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.02 100.17 7.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.386 0.674 . . . . 0.0 109.834 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.29 156.2 71.98 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.384 1.073 . . . . 0.0 110.191 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.61 151.89 82.92 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.767 2.311 . . . . 0.0 111.212 171.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.31 -0.88 2.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.387 0.675 . . . . 0.0 112.715 172.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.99 -24.21 66.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.402 1.081 . . . . 0.0 111.516 169.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.09 146.46 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.082 0.953 . . . . 0.0 110.308 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 153.53 22.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.69 0.396 . . . . 0.0 111.206 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -138.01 131.18 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.017 0.527 . . . . 0.0 109.624 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -155.26 162.53 40.87 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.105 0.562 . . . . 0.0 112.179 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -79.03 159.57 27.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 166.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.06 -31.85 69.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.68 -45.96 88.31 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 111.652 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 mm -87.51 -30.4 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.151 0.58 . . . . 0.0 110.525 -172.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -51.78 -36.98 49.58 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.653 0.781 . . . . 0.0 112.238 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -60.07 -31.42 69.98 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.641 0.776 . . . . 0.0 112.321 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -69.97 -36.53 75.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.259 0.624 . . . . 0.0 111.682 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.454 -0.258 0 O-C-N 121.975 -0.453 . . . . 0.0 110.152 178.304 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.5 ttp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -107.58 116.0 31.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.316 1.446 . . . . 0.0 109.375 172.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.12 141.46 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 125.158 1.383 . . . . 0.0 109.8 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.94 160.39 35.98 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.8 0.84 . . . . 0.0 111.525 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p -87.56 150.85 23.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.415 0.626 . . . . 0.0 112.143 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -145.9 130.96 18.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.123 1.369 . . . . 0.0 108.206 169.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . 0.25 18.4 ptpt -99.14 162.72 12.9 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 120.161 1.346 . . . . 0.0 112.714 171.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 m -53.75 137.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.494 -167.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -5.58 76.67 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.35 0.976 . . . . 0.0 114.016 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -95.72 177.16 5.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.799 1.3 . . . . 0.0 112.27 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -135.15 157.75 46.11 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.5 mt -141.38 159.68 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 127.324 2.25 . . . . 0.0 108.423 -176.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -137.84 149.18 46.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.784 0.833 . . . . 0.0 112.151 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.19 137.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.809 1.244 . . . . 0.0 109.195 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.22 -137.55 49.85 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -120.14 4.31 10.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 112.019 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.29 -8.11 4.25 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.15 137.73 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.757 0.708 . . . . 0.0 110.68 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.4 m -126.64 145.06 50.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.496 1.118 . . . . 0.0 109.774 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -124.61 140.23 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 125.453 1.501 . . . . 0.0 107.993 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -132.55 129.55 39.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -87.54 94.56 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.0 -31.75 69.58 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.343 0.657 . . . . 0.0 110.945 -170.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.83 -176.84 41.79 Favored Glycine 0 CA--C 1.524 0.625 0 CA-C-O 120.752 0.084 . . . . 0.0 112.973 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -114.81 159.19 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.585 0.754 . . . . 0.0 109.81 167.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -142.78 79.14 1.64 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 169.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.07 -112.97 3.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -173.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.492 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.18 -5.66 43.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.499 0.72 . . . . 0.0 110.635 174.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -75.01 152.78 38.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.721 0.772 . . . . 0.0 111.353 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -128.58 119.31 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -89.9 113.42 25.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -120.64 127.4 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.608 0.763 . . . . 0.0 109.789 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.1 137.92 13.78 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -125.18 138.67 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -137.71 98.72 3.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.01 155.84 76.03 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.533 1.133 . . . . 0.0 109.751 -174.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.89 151.74 79.22 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.161 1.907 . . . . 0.0 110.51 169.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.66 -0.98 2.36 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.251 0.62 . . . . 0.0 112.35 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.88 -23.76 66.72 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.889 1.276 . . . . 0.0 111.119 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.61 160.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.658 1.183 . . . . 0.0 110.772 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.58 156.99 16.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.438 0.695 . . . . 0.0 112.206 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -149.89 121.91 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 122.805 0.442 . . . . 0.0 109.83 167.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -149.59 166.02 30.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.437 0.695 . . . . 0.0 111.402 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -60.69 156.91 15.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 167.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -60.43 -34.48 74.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.295 0.952 . . . . 0.0 110.702 173.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.66 -47.65 70.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.489 1.116 . . . . 0.0 112.177 169.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -84.9 -28.81 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.334 0.654 . . . . 0.0 111.674 -173.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -52.37 -40.51 62.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.382 0.673 . . . . 0.0 110.788 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.09 -20.96 66.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.214 1.006 . . . . 0.0 113.219 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -72.37 -52.56 15.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mp . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.27 123.09 18.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.473 1.109 . . . . 0.0 108.912 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.98 139.91 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 124.041 0.936 . . . . 0.0 109.753 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 49.2 mt -136.84 165.05 26.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.424 1.49 . . . . 0.0 111.109 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 106.4 8.35 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 167.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.1 129.8 56.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.635 1.574 . . . . 0.0 110.194 -173.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -93.73 165.12 12.86 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.769 1.168 . . . . 0.0 112.713 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.05 139.18 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.427 -169.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -3.92 86.57 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 124.002 0.811 . . . . 0.0 114.189 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -94.35 175.2 6.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.641 1.22 . . . . 0.0 111.188 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 33.9 m -135.69 155.77 49.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -169.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -133.83 154.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.947 2.099 . . . . 0.0 108.095 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -129.03 149.37 50.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.538 -0.726 . . . . 0.0 112.149 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.73 134.85 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.79 1.236 . . . . 0.0 109.551 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.38 51.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -129.98 10.01 5.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.65 0.78 . . . . 0.0 112.678 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -126.34 -11.72 6.29 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.97 131.32 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.242 0.928 . . . . 0.0 110.912 -170.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -122.61 142.53 50.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.239 1.016 . . . . 0.0 109.611 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm -120.93 137.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.313 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -131.3 126.08 34.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.398 0.679 . . . . 0.0 109.726 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.8 101.65 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.19 -30.43 67.54 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.18 -0.325 . . . . 0.0 110.761 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.12 -176.75 32.68 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 123.304 0.478 . . . . 0.0 113.603 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 m -108.65 160.71 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.893 0.877 . . . . 0.0 111.745 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -150.01 89.89 1.64 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.858 1.263 . . . . 0.0 109.11 169.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.14 -106.04 1.6 Allowed Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.806 -0.559 . . . . 0.0 111.797 -176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -97.23 -19.65 18.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 117.672 0.736 . . . . 0.0 111.736 171.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -71.67 148.04 46.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.423 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.7 114.37 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -91.1 121.16 32.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.02 128.92 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.324 -168.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.64 133.25 11.7 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 169.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.04 116.77 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.737 1.215 . . . . 0.0 107.925 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -118.18 98.89 6.53 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -169.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.4 153.15 72.54 Favored Pre-proline 0 N--CA 1.449 -0.496 0 C-N-CA 124.386 1.074 . . . . 0.0 109.557 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.24 150.15 76.06 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 122.012 1.808 . . . . 0.0 111.112 171.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -4.28 8.32 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 124.172 0.989 . . . . 0.0 113.277 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.89 -28.23 69.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.792 1.637 . . . . 0.0 111.799 171.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -113.68 161.48 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.406 1.083 . . . . 0.0 109.412 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.43 153.58 17.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -154.97 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.235 0.614 . . . . 0.0 110.474 168.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -151.21 165.78 32.89 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.282 1.033 . . . . 0.0 109.949 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -74.82 162.6 28.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.828 -0.545 . . . . 0.0 109.99 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -62.08 -24.54 67.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.809 0.444 . . . . 0.0 112.164 -170.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.04 -50.44 73.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 112.009 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.27 -33.43 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.704 0.802 . . . . 0.0 110.083 -172.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -54.56 -37.06 65.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.074 0.95 . . . . 0.0 112.412 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -65.91 -28.47 68.96 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.206 0.603 . . . . 0.0 112.364 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.22 -22.96 60.33 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.41 0.684 . . . . 0.0 110.829 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -95.44 -41.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.675 1.19 . . . . 0.0 110.037 -172.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 123.599 0.76 . . . . 0.0 112.678 174.554 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.244 0.068 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -107.22 140.95 39.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.889 0.475 . . . . 0.0 110.534 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.0 121.22 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.8 150.75 36.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.327 1.451 . . . . 0.0 109.47 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 114.44 21.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.39 126.5 45.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.882 1.273 . . . . 0.0 109.991 -169.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.83 165.7 12.78 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 119.505 1.048 . . . . 0.0 112.431 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 m -58.98 135.03 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.623 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.32 76.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.347 0.975 . . . . 0.0 114.23 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -96.83 172.04 8.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.726 1.263 . . . . 0.0 111.561 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -136.02 159.46 41.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -169.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.0 mt -137.23 157.03 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.64 1.976 . . . . 0.0 108.113 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -129.76 149.63 51.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.444 -0.785 . . . . 0.0 112.182 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -133.86 138.79 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.549 1.139 . . . . 0.0 108.991 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.26 -135.96 51.39 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.39 10.07 7.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.186 0.994 . . . . 0.0 112.325 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -131.2 -20.46 2.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.48 137.07 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.134 0.879 . . . . 0.0 110.855 -171.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -126.82 142.87 51.43 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.418 1.087 . . . . 0.0 110.257 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -119.7 140.49 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.7 1.6 . . . . 0.0 108.157 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -135.72 128.8 31.6 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.256 0.622 . . . . 0.0 109.885 176.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.28 109.13 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -81.16 -27.89 35.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.156 0.582 . . . . 0.0 111.186 -172.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.61 -173.59 34.36 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.193 0.425 . . . . 0.0 113.47 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.24 158.45 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 123.541 0.737 . . . . 0.0 111.96 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -150.05 91.35 1.77 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.681 1.193 . . . . 0.0 109.105 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -111.45 3.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.51 -21.04 20.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.434 0.617 . . . . 0.0 111.812 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.53 142.38 44.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.067 0.547 . . . . 0.0 110.175 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -133.92 115.35 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -85.46 127.0 34.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.69 139.3 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.652 0.781 . . . . 0.0 109.966 -169.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 139.71 15.67 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.64 141.07 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.364 1.066 . . . . 0.0 109.469 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -130.22 107.92 9.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.245 1.018 . . . . 0.0 109.072 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.1 158.14 74.34 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.085 0.954 . . . . 0.0 111.256 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -65.19 162.53 32.72 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.966 2.444 . . . . 0.0 112.197 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.58 -5.01 30.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.41 0.684 . . . . 0.0 112.608 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.68 -20.16 64.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.636 1.175 . . . . 0.0 112.431 171.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -128.42 164.98 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 123.93 0.892 . . . . 0.0 111.271 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.05 162.35 13.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.873 0.869 . . . . 0.0 111.235 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.64 125.26 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.19 0.596 . . . . 0.0 110.541 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -153.03 173.19 15.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.014 0.926 . . . . 0.0 110.634 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -74.36 162.31 29.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 168.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.31 -21.78 62.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.62 -44.35 94.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -86.42 -29.86 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 123.252 0.621 . . . . 0.0 109.669 -172.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -53.61 -34.31 58.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.835 0.854 . . . . 0.0 112.643 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -67.96 -22.0 65.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.427 0.691 . . . . 0.0 112.361 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -85.11 -22.97 28.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.442 0.697 . . . . 0.0 111.329 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm . . . . . 0 N--CA 1.455 -0.197 0 C-N-CA 123.73 0.812 . . . . 0.0 109.221 170.052 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 113.16 24.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.599 0.76 . . . . 0.0 108.997 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.38 121.15 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.54 158.06 23.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.932 0.893 . . . . 0.0 109.452 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 m -125.02 100.9 6.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.66 137.41 53.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.861 0.864 . . . . 0.0 110.729 -167.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -99.08 160.87 13.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.358 0.663 . . . . 0.0 110.176 -172.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.32 138.17 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 121.492 -0.755 . . . . 0.0 111.64 -173.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.21 -7.87 78.01 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.472 1.034 . . . . 0.0 114.681 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -85.83 166.95 15.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 119.433 1.617 . . . . 0.0 112.672 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -132.91 140.09 47.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.924 0.89 . . . . 0.0 111.584 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 23.4 mm -114.8 151.22 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 125.367 1.467 . . . . 0.0 108.881 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -124.55 136.58 54.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.932 0.893 . . . . 0.0 110.149 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -130.87 130.84 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.1 0.96 . . . . 0.0 109.806 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 -127.46 27.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -127.29 -2.19 6.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.941 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.65 -3.15 0.81 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -168.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.05 134.01 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 119.484 1.038 . . . . 0.0 110.638 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 146.25 51.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.773 0.829 . . . . 0.0 109.635 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -130.49 127.37 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.402 1.081 . . . . 0.0 108.562 -172.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -127.45 130.33 49.08 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.916 0.78 . . . . 0.0 111.004 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.72 111.17 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -32.35 59.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.33 -170.93 31.6 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 115.234 0.853 . . . . 0.0 115.234 165.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 m -88.0 157.16 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 C-N-CA 123.929 0.892 . . . . 0.0 112.333 -169.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -142.04 60.92 1.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.136 1.374 . . . . 0.0 109.448 169.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.94 -122.52 16.52 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -172.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -79.9 -0.86 36.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.164 0.586 . . . . 0.0 112.123 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -98.86 159.91 14.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.057 0.932 . . . . 0.0 110.906 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -140.24 125.35 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 126.109 1.764 . . . . 0.0 107.757 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -107.8 101.98 11.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.644 0.378 . . . . 0.0 110.424 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -114.15 137.19 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 125.16 1.384 . . . . 0.0 110.271 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.23 138.85 14.19 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.349 0.976 . . . . 0.0 111.622 169.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.71 134.48 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.269 1.427 . . . . 0.0 108.269 172.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -120.02 75.55 1.1 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.704 1.202 . . . . 0.0 109.259 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.76 153.03 45.22 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 114.242 -1.345 . . . . 0.0 110.474 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.35 153.92 56.03 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.57 2.18 . . . . 0.0 110.531 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.32 -5.13 17.04 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -68.77 -26.13 65.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.007 0.923 . . . . 0.0 112.198 169.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.16 144.1 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 122.044 0.926 . . . . 0.0 111.984 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.93 143.08 31.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.365 1.066 . . . . 0.0 111.454 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 t -129.53 117.46 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.814 0.845 . . . . 0.0 109.532 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -151.38 156.19 40.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.365 0.666 . . . . 0.0 111.614 -175.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 160.14 31.19 Favored 'General case' 0 C--O 1.227 -0.096 0 O-C-N 121.974 -0.453 . . . . 0.0 110.347 171.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.92 -27.73 68.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.792 -0.568 . . . . 0.0 111.991 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.38 -1.86 35.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.78 -30.15 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.214 1.005 . . . . 0.0 111.219 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.95 -31.6 72.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.142 -0.974 . . . . 0.0 110.414 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -75.44 -12.15 60.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.851 0.46 . . . . 0.0 111.833 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -33.61 33.62 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.032 0.933 . . . . 0.0 110.69 169.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.19 -52.44 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.868 0.867 . . . . 0.0 108.925 171.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 123.553 0.741 . . . . 0.0 112.304 -175.052 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -101.27 117.53 35.17 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.89 138.04 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.106 0.479 . . . . 0.0 111.622 -167.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.71 140.17 50.33 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.73 1.212 . . . . 0.0 110.086 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -105.78 100.98 10.52 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.52 151.62 33.03 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.239 1.015 . . . . 0.0 111.077 -170.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.441 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 17.0 ptpt -91.0 164.29 14.02 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.904 0.383 . . . . 0.0 111.919 174.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 m -58.79 130.5 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.958 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.46 -3.43 57.86 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 118.646 -1.086 . . . . 0.0 115.53 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' B' ' 7' ' ' LYS . 2.1 mt-10 -74.57 158.25 34.05 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.987 1.894 . . . . 0.0 111.548 175.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -126.3 147.96 49.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.62 0.768 . . . . 0.0 111.131 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mm -133.91 150.09 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 125.986 1.714 . . . . 0.0 108.732 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -124.59 138.77 54.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.601 1.161 . . . . 0.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -129.06 130.04 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.774 0.829 . . . . 0.0 109.567 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.2 -133.49 52.36 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -174.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.59 5.01 6.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.748 0.819 . . . . 0.0 112.816 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.09 -18.2 10.11 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.26 136.68 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 119.258 0.935 . . . . 0.0 111.569 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -133.08 145.63 50.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.879 1.272 . . . . 0.0 109.962 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 mm -129.94 139.41 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 125.054 1.342 . . . . 0.0 109.162 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.35 128.42 37.61 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.5 0.72 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -85.11 106.07 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.87 -32.07 51.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.199 -0.313 . . . . 0.0 110.544 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 177.55 32.83 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.95 141.36 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.102 0.477 . . . . 0.0 110.328 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -114.92 72.56 0.79 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.667 1.187 . . . . 0.0 107.915 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -117.03 4.55 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.477 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.96 8.9 42.43 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.174 -0.604 . . . . 0.0 111.029 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.96 155.44 17.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.122 0.969 . . . . 0.0 110.126 170.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 t -136.55 113.56 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -170.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.69 117.42 25.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 0.0 109.598 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.51 127.26 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.924 0.89 . . . . 0.0 110.343 -169.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.34 137.04 14.13 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -125.21 128.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -129.21 84.68 2.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.326 -167.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.17 154.83 78.78 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.019 -1.446 . . . . 0.0 109.524 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -58.79 151.86 61.22 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.516 1.477 . . . . 0.0 109.264 168.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -70.47 -0.87 9.23 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 122.089 0.947 . . . . 0.0 111.79 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.79 -21.74 66.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.962 1.705 . . . . 0.0 110.984 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 m -124.92 144.08 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.128 1.371 . . . . 0.0 109.513 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.437 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -88.6 143.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.99 116.88 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 124.269 1.028 . . . . 0.0 109.712 169.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.437 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.4 OUTLIER -147.26 164.8 32.05 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 124.854 1.262 . . . . 0.0 110.395 169.502 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.85 156.11 37.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 122.281 -0.262 . . . . 0.0 110.803 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.31 -39.1 66.68 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.396 0.678 . . . . 0.0 111.956 -175.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -50.09 -45.63 52.81 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.771 0.428 . . . . 0.0 110.959 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 mm -77.22 -48.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 125.527 1.531 . . . . 0.0 110.2 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -51.43 -35.55 39.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.301 1.041 . . . . 0.0 111.629 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.33 -22.59 62.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -176.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -81.9 -38.81 24.75 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.283 0.947 . . . . 0.0 110.451 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.78 -40.92 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -80.26 5.02 15.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.53 -19.76 45.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.087 0.555 . . . . 0.0 111.385 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 47.04 0.08 OUTLIER Glycine 0 C--N 1.338 0.69 0 CA-C-O 119.418 -0.657 . . . . 0.0 114.447 168.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.06 -176.53 2.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.998 0.899 . . . . 0.0 112.865 -168.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.0 p -126.42 -177.6 4.04 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.536 1.535 . . . . 0.0 109.387 168.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.78 121.46 2.83 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.13 0.972 . . . . 0.0 111.503 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -66.5 173.59 7.51 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.916 1.744 . . . . 0.0 114.899 -169.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 125.481 1.513 . . . . 0.0 112.984 -178.116 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpp . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.495 -0.288 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.77 105.63 14.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 167.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.32 134.93 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.093 0.957 . . . . 0.0 109.536 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -126.66 134.9 50.62 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.566 0.746 . . . . 0.0 109.225 168.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.1 p -93.74 143.35 26.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 169.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.473 ' HE ' ' C ' ' C' ' 10' ' ' GLU . 1.4 mtp-105 -146.09 163.97 33.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 173.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -98.58 161.22 13.78 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.141 0.577 . . . . 0.0 109.701 172.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.72 134.27 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 120.901 0.381 . . . . 0.0 111.362 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.21 -6.8 72.34 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.81 1.195 . . . . 0.0 114.388 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . 0.473 ' C ' ' HE ' ' C' ' 6' ' ' ARG . 47.3 mm-40 -90.38 174.06 7.77 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.077 1.439 . . . . 0.0 112.34 -174.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -132.83 154.21 50.53 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.9 mt -135.42 160.19 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 127.461 2.304 . . . . 0.0 108.702 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -128.29 147.1 50.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.254 1.021 . . . . 0.0 111.97 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -134.32 142.67 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.84 1.256 . . . . 0.0 109.131 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.01 -137.52 40.36 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -123.63 10.08 9.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.768 0.827 . . . . 0.0 110.939 169.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.51 -8.35 4.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.676 1.19 . . . . 0.0 112.968 -169.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.62 136.85 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.568 0.747 . . . . 0.0 110.624 -174.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -122.3 143.51 49.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -121.83 136.92 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.999 1.32 . . . . 0.0 108.311 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -128.52 134.25 48.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.013 0.525 . . . . 0.0 109.594 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 9.1 tp -99.21 113.18 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.52 -42.85 12.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.14 -166.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.47 174.09 40.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.278 -0.963 . . . . 0.0 114.341 168.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.96 144.24 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.39 0.676 . . . . 0.0 110.35 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -140.94 100.21 3.77 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -140.03 25.24 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.397 -169.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.59 1.76 44.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.124 0.97 . . . . 0.0 110.933 168.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 145.4 26.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.703 1.201 . . . . 0.0 110.169 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -134.97 120.01 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -80.29 115.43 19.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -112.78 139.41 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 126.011 1.724 . . . . 0.0 109.267 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 139.13 15.12 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.178 0.894 . . . . 0.0 111.765 172.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -125.29 123.79 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.207 1.003 . . . . 0.0 108.91 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -117.26 100.85 7.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.165 0.586 . . . . 0.0 110.051 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 154.23 62.72 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.243 1.017 . . . . 0.0 110.027 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.09 152.05 78.01 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.781 2.321 . . . . 0.0 111.121 172.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -65.15 -0.87 1.86 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.374 0.67 . . . . 0.0 112.663 172.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.97 -23.49 66.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.464 1.106 . . . . 0.0 111.443 169.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -121.55 147.07 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.107 0.963 . . . . 0.0 110.366 174.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 154.78 21.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.774 0.429 . . . . 0.0 111.265 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.97 130.13 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 122.956 0.502 . . . . 0.0 109.741 169.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -156.7 158.15 36.43 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.246 0.475 . . . . 0.0 112.155 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -74.44 158.03 34.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 165.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.85 -32.28 73.74 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.37 -20.57 63.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mm -95.74 -34.57 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.507 0.723 . . . . 0.0 110.753 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -51.73 -36.46 47.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.79 0.836 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -59.46 -28.9 67.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.701 0.8 . . . . 0.0 112.471 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -70.52 -37.35 74.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.348 0.659 . . . . 0.0 111.787 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 177.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.0 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.06 111.95 21.87 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.545 1.538 . . . . 0.0 107.845 168.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.79 140.05 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.982 1.313 . . . . 0.0 109.573 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -155.17 158.54 39.1 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.919 0.888 . . . . 0.0 110.406 169.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -90.46 148.0 23.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.106 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -139.04 145.34 39.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.648 0.779 . . . . 0.0 109.016 166.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -80.08 158.89 26.31 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.042 0.449 . . . . 0.0 110.163 171.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.42 138.32 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.457 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.37 -3.42 83.89 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.168 0.89 . . . . 0.0 113.956 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -88.98 169.2 11.73 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 1.254 . . . . 0.0 112.03 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -130.24 156.79 44.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.949 0.9 . . . . 0.0 112.151 -172.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 56.7 mt -146.62 160.57 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.657 1.983 . . . . 0.0 108.687 -170.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -134.11 150.61 51.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.298 1.039 . . . . 0.0 112.255 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -135.14 135.27 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.115 1.366 . . . . 0.0 109.267 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 -133.61 48.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 9.97 5.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 112.325 171.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -127.85 -17.02 4.55 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.39 130.96 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.993 0.815 . . . . 0.0 110.489 -171.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -115.43 145.41 42.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.797 0.839 . . . . 0.0 109.876 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -129.2 140.44 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.955 1.302 . . . . 0.0 108.268 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -137.37 130.88 31.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -86.61 103.91 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.3 mt -78.16 -30.46 49.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.315 0.646 . . . . 0.0 110.584 -172.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.64 -173.62 40.58 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-O 120.805 0.114 . . . . 0.0 112.966 170.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.98 159.42 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.921 0.888 . . . . 0.0 110.398 168.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -141.76 77.08 1.57 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 169.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.97 -114.48 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -88.43 -6.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.512 0.725 . . . . 0.0 110.005 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -74.72 149.28 39.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.136 0.493 . . . . 0.0 112.167 173.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 31.2 t -129.21 119.12 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -94.89 112.04 23.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.652 1.181 . . . . 0.0 108.386 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.41 128.2 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.379 0.672 . . . . 0.0 110.202 -168.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.37 135.55 12.77 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.81 140.54 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.985 0.914 . . . . 0.0 108.811 171.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -137.97 90.01 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.339 0.656 . . . . 0.0 109.509 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.4 155.34 54.06 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 124.393 1.077 . . . . 0.0 110.02 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.89 150.84 87.18 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.185 1.923 . . . . 0.0 110.466 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -68.86 -1.42 7.19 Favored 'General case' 0 CA--C 1.526 0.025 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.55 -20.94 66.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.581 1.152 . . . . 0.0 111.587 168.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -128.12 160.01 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.261 1.024 . . . . 0.0 110.863 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.13 157.04 16.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.547 0.739 . . . . 0.0 112.675 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.23 124.67 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.869 -0.52 . . . . 0.0 109.613 168.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -149.0 160.63 43.13 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 111.87 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -65.66 154.15 39.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 168.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.35 -35.22 71.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.417 0.553 . . . . 0.0 112.292 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.46 -55.95 28.22 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.255 0.622 . . . . 0.0 110.94 170.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -64.15 -42.71 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 124.02 0.928 . . . . 0.0 109.993 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -49.4 -42.72 43.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.52 1.528 . . . . 0.0 112.241 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.19 -20.93 63.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.9 -50.93 12.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.98 0.809 . . . . 0.0 109.572 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 mp . . . . . 0 N--CA 1.455 -0.207 0 C-N-CA 125.137 1.375 . . . . 0.0 111.965 178.363 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.37 119.85 30.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.984 0.913 . . . . 0.0 109.634 -173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.92 136.22 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.001 0.92 . . . . 0.0 109.737 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -132.46 163.41 28.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.765 1.626 . . . . 0.0 110.485 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -133.65 98.63 4.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 167.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -104.94 154.81 19.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.684 1.193 . . . . 0.0 109.673 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -110.2 171.59 7.36 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.05 0.841 . . . . 0.0 113.166 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.09 128.31 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.942 -169.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.94 67.98 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.245 0.926 . . . . 0.0 113.86 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -91.55 168.76 11.28 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.443 1.121 . . . . 0.0 111.077 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -132.13 159.51 38.72 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -168.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 24.0 mt -143.85 156.86 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 126.739 2.016 . . . . 0.0 107.682 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -137.95 149.33 46.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.564 -0.71 . . . . 0.0 112.831 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -136.62 138.65 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.905 1.282 . . . . 0.0 109.027 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.6 -134.91 49.75 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.98 10.03 6.93 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.264 1.026 . . . . 0.0 111.675 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.1 -7.72 1.36 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.56 134.19 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.79 0.723 . . . . 0.0 110.492 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -126.88 143.77 51.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.47 1.108 . . . . 0.0 110.03 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.87 138.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.057 1.343 . . . . 0.0 108.083 173.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -132.03 126.39 33.79 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.38 0.672 . . . . 0.0 109.204 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.8 108.34 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -72.77 -41.73 64.74 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.301 -0.874 . . . . 0.0 110.895 -169.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.82 178.78 36.93 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 123.413 0.53 . . . . 0.0 113.076 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -106.77 158.89 6.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.364 0.666 . . . . 0.0 112.267 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.12 90.88 1.79 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.854 1.262 . . . . 0.0 109.361 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.07 -113.46 5.41 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -93.94 -20.37 20.06 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 117.252 0.526 . . . . 0.0 111.749 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.28 139.0 49.83 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.238 0.542 . . . . 0.0 109.677 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 114.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -83.43 125.79 32.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.6 130.95 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.418 0.687 . . . . 0.0 109.399 -169.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.9 139.74 14.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.061 0.838 . . . . 0.0 111.334 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.39 133.41 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.929 1.291 . . . . 0.0 109.08 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -134.29 99.0 4.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.612 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.09 155.58 78.93 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.657 1.183 . . . . 0.0 110.533 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.12 158.24 35.64 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.669 2.246 . . . . 0.0 111.811 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -68.31 -0.87 5.27 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.557 0.743 . . . . 0.0 112.637 169.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.03 -25.03 67.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.109 1.364 . . . . 0.0 111.944 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.61 157.6 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.1 0.96 . . . . 0.0 111.026 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.42 20.49 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.714 172.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.06 124.91 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.873 0.469 . . . . 0.0 110.261 168.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -149.7 166.18 30.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.271 1.028 . . . . 0.0 110.206 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -78.74 161.61 26.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.685 -0.635 . . . . 0.0 109.95 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.09 -22.81 61.41 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.28 -49.54 69.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.143 0.977 . . . . 0.0 111.654 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.98 -33.17 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.591 0.756 . . . . 0.0 109.929 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.406 0.683 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -69.17 -26.53 64.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.219 0.608 . . . . 0.0 112.571 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.36 -23.03 61.83 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.364 0.666 . . . . 0.0 110.716 176.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.31 -46.99 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.153 0.981 . . . . 0.0 109.635 -171.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 176.124 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.755 -0.091 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.17 148.81 23.71 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.025 0.53 . . . . 0.0 111.153 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.2 127.05 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 171.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.86 155.87 28.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.594 1.558 . . . . 0.0 109.305 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.13 103.39 8.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -116.49 126.24 53.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.538 -170.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -88.73 165.86 14.44 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 119.117 0.871 . . . . 0.0 112.787 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.4 m -58.06 135.7 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.287 -171.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.97 -9.31 72.99 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.348 0.975 . . . . 0.0 113.873 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -96.44 172.32 8.01 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.804 1.302 . . . . 0.0 112.27 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 64.4 m -131.24 160.43 34.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -169.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -138.65 156.26 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.154 2.182 . . . . 0.0 107.852 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -131.74 149.36 52.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.382 -0.824 . . . . 0.0 112.431 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.63 141.47 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.599 1.16 . . . . 0.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -139.14 47.94 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -122.24 10.03 9.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.087 0.955 . . . . 0.0 112.452 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -134.61 -20.71 1.78 Allowed 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -96.97 136.81 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 119.267 0.939 . . . . 0.0 110.755 -170.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m -125.35 142.05 51.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.009 0.924 . . . . 0.0 110.392 173.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.81 140.25 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.737 1.615 . . . . 0.0 108.169 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -136.26 128.1 29.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.054 0.542 . . . . 0.0 109.839 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -81.34 111.34 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.0 -28.08 26.0 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.416 0.686 . . . . 0.0 111.217 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.15 -172.35 35.84 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.076 0.369 . . . . 0.0 113.485 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.71 159.56 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.281 0.632 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -149.16 91.19 1.81 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.927 1.291 . . . . 0.0 109.229 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.49 -103.01 1.45 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -101.94 -16.74 16.42 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 117.417 0.609 . . . . 0.0 111.992 170.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.54 145.8 47.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.647 0.737 . . . . 0.0 109.485 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -140.57 106.88 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -84.63 127.47 34.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.632 0.773 . . . . 0.0 109.013 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.43 140.58 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.964 0.906 . . . . 0.0 110.352 -168.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 138.63 14.93 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.096 0.855 . . . . 0.0 111.014 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.29 138.83 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.178 0.991 . . . . 0.0 109.79 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -132.2 106.44 7.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.136 0.974 . . . . 0.0 109.346 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.35 157.97 76.61 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 111.324 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -65.61 162.71 33.05 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.051 2.501 . . . . 0.0 112.135 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -70.28 -7.73 44.72 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.467 0.707 . . . . 0.0 112.611 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.7 -18.13 64.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.853 1.261 . . . . 0.0 112.395 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -130.01 162.85 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 111.148 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.55 164.28 12.14 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.546 0.739 . . . . 0.0 111.34 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.35 129.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.522 0.729 . . . . 0.0 110.111 170.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -151.41 174.13 13.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.271 1.029 . . . . 0.0 110.217 175.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -74.33 159.57 32.22 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -62.43 -21.96 65.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.33 -50.74 72.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.776 0.83 . . . . 0.0 111.304 172.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -79.68 -31.82 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.091 0.556 . . . . 0.0 109.586 -171.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -53.2 -35.22 59.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.991 0.916 . . . . 0.0 112.896 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.59 -22.04 66.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.101 0.56 . . . . 0.0 112.351 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -82.46 -34.6 28.06 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.183 0.593 . . . . 0.0 110.706 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm . . . . . 0 N--CA 1.456 -0.14 0 C-N-CA 124.02 0.928 . . . . 0.0 110.118 172.185 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.81 115.75 31.06 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.456 0.702 . . . . 0.0 109.961 -175.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -101.24 137.76 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.925 0.89 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.54 161.34 34.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.386 1.075 . . . . 0.0 109.826 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.9 m -128.02 100.94 6.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -120.03 147.17 45.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.824 0.45 . . . . 0.0 110.776 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -104.35 160.66 14.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.834 0.853 . . . . 0.0 109.702 -170.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -47.66 128.9 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.726 0.41 . . . . 0.0 111.297 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.62 -6.49 70.7 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.599 1.095 . . . . 0.0 114.002 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -91.14 172.09 8.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.529 1.164 . . . . 0.0 112.165 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -140.11 158.07 44.62 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -170.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.49 159.58 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 126.466 1.906 . . . . 0.0 109.561 173.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -131.21 139.13 49.64 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.372 1.069 . . . . 0.0 110.847 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.5 mt -132.57 131.07 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.449 1.099 . . . . 0.0 109.599 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.9 -125.24 18.98 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.92 -4.9 4.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.358 1.063 . . . . 0.0 111.762 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -138.1 -8.93 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -168.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -111.33 138.01 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 119.09 0.859 . . . . 0.0 110.489 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -139.77 142.16 36.77 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.215 1.006 . . . . 0.0 109.383 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -126.07 148.1 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.286 1.034 . . . . 0.0 109.083 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -138.89 138.65 37.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.738 0.815 . . . . 0.0 110.264 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -93.32 100.52 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.56 -26.73 60.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 0.0 110.6 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.7 -170.88 43.74 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.294 0.473 . . . . 0.0 113.236 169.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.83 157.04 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.503 0.721 . . . . 0.0 111.34 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -141.88 61.18 1.46 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.911 1.284 . . . . 0.0 109.622 -174.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.23 -121.04 6.85 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.41 -4.09 49.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.45 0.7 . . . . 0.0 111.813 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.87 159.18 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.836 0.827 . . . . 0.0 111.928 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -140.79 129.7 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 126.487 1.915 . . . . 0.0 108.184 -169.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -101.88 101.87 12.37 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.8 mt -108.88 139.97 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.583 1.153 . . . . 0.0 109.984 -170.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.84 142.29 13.58 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 123.43 0.538 . . . . 0.0 112.072 173.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.91 136.46 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.788 1.235 . . . . 0.0 108.987 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.57 82.43 1.88 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.722 1.209 . . . . 0.0 109.247 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.91 153.4 51.0 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.107 0.963 . . . . 0.0 110.407 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.26 157.92 41.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.657 2.238 . . . . 0.0 110.683 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -67.97 -1.3 5.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -31.02 71.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.821 0.849 . . . . 0.0 111.426 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.97 144.07 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.773 0.797 . . . . 0.0 111.248 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.03 143.02 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.667 0.787 . . . . 0.0 110.611 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -132.91 128.32 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -149.82 150.63 32.27 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.156 0.582 . . . . 0.0 110.915 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.61 159.29 27.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.585 0.354 . . . . 0.0 111.189 169.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -73.32 -24.01 60.33 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.097 -0.377 . . . . 0.0 111.89 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.52 -20.37 59.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.629 1.172 . . . . 0.0 112.671 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.03 -29.19 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.038 0.935 . . . . 0.0 111.391 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -61.02 -31.39 71.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 119.14 0.882 . . . . 0.0 110.719 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -76.56 -14.66 59.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.388 0.675 . . . . 0.0 112.043 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -81.42 -34.29 31.65 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.038 0.935 . . . . 0.0 110.944 169.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.6 -52.37 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 171.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.704 0.802 . . . . 0.0 112.519 -176.185 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 tpp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 119.749 -0.167 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -123.98 112.17 16.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.329 1.452 . . . . 0.0 108.101 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.59 142.39 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.446 0.698 . . . . 0.0 111.486 -169.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.59 148.55 47.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.797 1.639 . . . . 0.0 110.311 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.3 m -107.44 117.6 34.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.56 154.79 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.559 1.544 . . . . 0.0 110.029 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -113.65 160.06 19.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.254 0.934 . . . . 0.0 110.617 166.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -59.18 129.57 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 121.455 0.645 . . . . 0.0 111.125 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.13 -5.64 63.38 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-O 118.902 -0.943 . . . . 0.0 115.139 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.18 169.28 14.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.381 1.591 . . . . 0.0 111.644 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -138.84 156.25 47.47 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.743 0.817 . . . . 0.0 112.17 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mm -131.59 152.97 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 126.41 1.884 . . . . 0.0 108.988 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -128.79 141.52 51.28 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.571 1.148 . . . . 0.0 110.481 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -130.68 130.74 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.241 1.016 . . . . 0.0 109.624 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.0 -133.55 52.66 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.58 4.57 8.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.682 0.793 . . . . 0.0 112.249 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.54 -17.79 7.99 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.603 0.761 . . . . 0.0 113.031 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.49 135.69 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.743 0.701 . . . . 0.0 110.611 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.0 m -131.71 147.7 52.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.425 1.09 . . . . 0.0 109.979 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -128.09 143.38 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.755 1.622 . . . . 0.0 108.103 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -135.68 130.69 34.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.115 0.566 . . . . 0.0 110.041 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.7 95.19 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.24 -34.28 78.0 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.936 -0.478 . . . . 0.0 110.983 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.1 179.37 37.57 Favored Glycine 0 C--N 1.335 0.526 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 173.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.27 148.1 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-O 121.062 0.458 . . . . 0.0 110.081 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -124.54 77.63 1.6 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.047 0.939 . . . . 0.0 108.474 170.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.02 -118.49 4.72 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -175.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.09 10.25 41.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.201 -0.588 . . . . 0.0 111.144 173.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.96 155.08 17.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.164 0.986 . . . . 0.0 109.959 169.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.98 113.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.065 0.546 . . . . 0.0 109.569 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.97 118.91 24.84 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.126 1.371 . . . . 0.0 109.612 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -129.29 131.28 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.258 1.023 . . . . 0.0 109.694 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.93 139.49 14.5 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 171.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -122.87 131.38 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.175 0.99 . . . . 0.0 109.036 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -132.56 75.17 1.61 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.332 -168.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.77 158.13 50.51 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.702 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.05 156.67 43.22 Favored 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 122.024 1.816 . . . . 0.0 111.38 169.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.09 -0.85 4.94 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.231 1.012 . . . . 0.0 112.114 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.84 -27.41 68.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.399 1.48 . . . . 0.0 111.184 171.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -111.83 144.08 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.695 1.198 . . . . 0.0 109.98 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.494 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -86.43 142.65 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.599 0.714 . . . . 0.0 111.014 169.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.69 96.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.032 -166.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.494 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.3 OUTLIER -144.93 167.19 23.23 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.073 0.949 . . . . 0.0 110.558 178.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -72.86 162.26 29.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 169.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.98 -41.67 83.47 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.65 0.78 . . . . 0.0 112.495 -171.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -72.22 -3.37 23.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 121.335 -0.853 . . . . 0.0 113.279 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 mm -101.98 -50.13 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 123.708 0.803 . . . . 0.0 109.712 169.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -49.3 -38.84 28.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.444 1.498 . . . . 0.0 112.264 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.23 -23.22 62.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -76.55 -43.57 38.53 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.9 0.773 . . . . 0.0 109.899 170.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.3 mt -63.78 -37.73 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.459 0.704 . . . . 0.0 109.43 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -81.09 1.14 32.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.25 -19.66 50.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.384 0.674 . . . . 0.0 111.764 169.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.2 50.24 0.09 OUTLIER Glycine 0 C--N 1.338 0.676 0 CA-C-O 119.589 -0.562 . . . . 0.0 114.049 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.95 -177.41 2.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.61 0.705 . . . . 0.0 112.387 -168.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 57.2 p -128.18 -172.2 2.63 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.339 1.456 . . . . 0.0 109.556 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.4 124.02 4.55 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.761 0.825 . . . . 0.0 111.312 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.69 171.43 5.77 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.844 2.362 . . . . 0.0 114.461 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.453 -0.281 0 C-N-CA 124.753 1.221 . . . . 0.0 113.078 -176.773 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.37 107.38 15.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 167.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.24 131.97 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.765 0.826 . . . . 0.0 109.069 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.75 138.97 53.45 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.04 0.936 . . . . 0.0 109.416 169.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -102.15 145.31 29.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.588 0.708 . . . . 0.0 111.196 169.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -138.89 145.27 39.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.532 1.133 . . . . 0.0 109.157 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -78.0 162.55 26.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 167.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.67 133.25 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 O-C-N 121.819 -0.551 . . . . 0.0 111.21 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.97 -2.19 87.0 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.782 1.182 . . . . 0.0 114.091 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.57 169.11 12.45 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.493 1.646 . . . . 0.0 111.853 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -129.23 158.2 39.7 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -168.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mt -136.77 159.01 37.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.745 2.418 . . . . 0.0 108.242 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -134.95 149.54 50.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.243 1.017 . . . . 0.0 112.051 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.27 140.24 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.643 1.177 . . . . 0.0 109.095 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -137.3 49.97 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -124.15 9.99 8.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.968 0.907 . . . . 0.0 111.442 169.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.41 -10.82 5.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.054 0.942 . . . . 0.0 112.824 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.65 133.34 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.678 0.672 . . . . 0.0 110.966 -173.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -120.01 148.0 44.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.596 1.158 . . . . 0.0 109.496 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.1 141.93 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.375 1.47 . . . . 0.0 107.986 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -134.52 127.82 32.13 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.95 -0.469 . . . . 0.0 110.144 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.89 110.1 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 168.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.79 -46.55 16.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.71 -0.619 . . . . 0.0 110.08 -171.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.6 178.75 48.16 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.221 -0.514 . . . . 0.0 113.539 169.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.76 152.85 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 121.395 0.617 . . . . 0.0 111.272 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.8 m -149.9 110.94 4.36 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 168.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.44 -142.01 29.58 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.463 -0.875 . . . . 0.0 110.983 -168.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -85.13 3.32 39.58 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.704 0.802 . . . . 0.0 111.331 167.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.65 139.24 30.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.174 1.39 . . . . 0.0 110.535 -175.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -125.19 118.29 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -81.81 118.45 22.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 mt -124.91 129.37 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.137 1.375 . . . . 0.0 109.823 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.59 15.13 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.483 1.992 . . . . 0.0 112.16 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' D' ' 1' ' ' MET . 73.4 mt -125.9 123.38 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.327 1.051 . . . . 0.0 109.552 175.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -116.24 99.5 7.26 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.751 0.82 . . . . 0.0 109.982 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.64 155.26 80.68 Favored Pre-proline 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 109.641 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.07 150.22 87.39 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.437 2.092 . . . . 0.0 110.715 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -66.33 -1.04 3.01 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.424 0.689 . . . . 0.0 112.439 173.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -25.29 67.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.627 1.171 . . . . 0.0 111.388 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.89 152.04 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.24 1.016 . . . . 0.0 110.672 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.11 153.11 21.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.48 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.78 131.43 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 168.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -153.16 154.18 34.24 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 122.694 0.398 . . . . 0.0 111.838 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -70.37 156.64 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 166.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -59.97 -34.53 73.41 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -168.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.55 -19.92 62.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.67 -31.41 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.777 0.831 . . . . 0.0 110.881 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -54.5 -41.68 69.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.648 -0.658 . . . . 0.0 111.815 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -58.35 -32.81 68.89 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.539 0.736 . . . . 0.0 112.346 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -71.84 -35.59 69.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.943 0.897 . . . . 0.0 111.548 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.455 -0.197 0 CA-C-N 118.349 0.522 . . . . 0.0 110.722 174.078 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 1' ' ' MET . . . . . 0.402 ' HA ' ' O ' ' C' ' 34' ' ' ILE 0.368 1.3 tpp . . . . . 0 N--CA 1.475 0.783 1 N-CA-C 98.625 -4.583 . . . . 0.0 98.625 . . . . . . . . . 3 2 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -105.96 100.26 9.82 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -167.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -91.32 135.9 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.445 1.098 . . . . 0.0 109.556 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -136.23 162.8 31.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.016 1.326 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -112.72 113.94 26.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 165.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.04 144.6 43.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.744 0.418 . . . . 0.0 110.102 168.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -83.26 162.99 20.99 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 109.89 173.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.7 m -55.81 136.49 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.09 83.61 Favored Glycine 0 CA--C 1.526 0.776 0 CA-C-O 119.154 -0.803 . . . . 0.0 114.339 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -98.93 170.69 8.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.641 1.22 . . . . 0.0 111.556 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -132.99 160.02 38.34 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mt -142.0 165.04 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 126.651 1.98 . . . . 0.0 108.27 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -141.81 149.23 40.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.897 0.879 . . . . 0.0 112.267 -172.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -136.11 136.82 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.953 1.301 . . . . 0.0 108.99 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.34 -135.7 51.64 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -125.28 9.81 7.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.926 0.89 . . . . 0.0 111.777 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -132.27 -11.54 3.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 136.59 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.843 0.747 . . . . 0.0 110.703 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -129.11 145.17 51.35 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.769 1.228 . . . . 0.0 109.786 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -121.56 141.35 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.188 1.395 . . . . 0.0 108.111 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 55.7 m -136.01 120.85 18.57 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.433 0.693 . . . . 0.0 109.364 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -74.22 105.37 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.66 -31.69 62.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.87 -179.7 39.37 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 112.801 -0.119 . . . . 0.0 112.801 170.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -109.48 158.78 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 122.866 0.466 . . . . 0.0 110.929 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -142.83 74.78 1.46 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.685 1.194 . . . . 0.0 108.722 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.51 -117.19 4.4 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -82.46 -19.24 39.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.024 0.929 . . . . 0.0 110.629 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -74.22 138.15 43.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.085 0.469 . . . . 0.0 110.498 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.75 118.41 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -95.78 109.29 21.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.574 1.15 . . . . 0.0 108.832 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.15 119.84 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.531 0.732 . . . . 0.0 110.11 -169.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.4 131.66 10.73 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -120.61 140.17 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.57 154.69 47.86 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 124.581 1.152 . . . . 0.0 108.705 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -55.85 143.31 81.93 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 121.585 1.524 . . . . 0.0 109.536 169.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -66.6 -7.99 24.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.377 0.608 . . . . 0.0 112.582 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.97 -20.74 66.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.025 1.73 . . . . 0.0 112.79 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -121.55 160.05 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.081 0.952 . . . . 0.0 110.464 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.51 157.01 16.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.24 128.44 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.594 0.758 . . . . 0.0 109.426 168.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.81 173.98 14.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.671 0.789 . . . . 0.0 111.689 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -72.68 161.25 31.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 167.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.53 -41.47 97.37 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.53 -0.731 . . . . 0.0 111.618 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.41 -43.24 44.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.435 1.094 . . . . 0.0 112.289 171.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.53 -42.04 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.618 1.167 . . . . 0.0 111.622 -168.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -47.76 -36.5 11.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.022 1.329 . . . . 0.0 112.195 -177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.62 -26.59 65.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.084 1.353 . . . . 0.0 112.998 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -80.1 -48.08 13.8 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.885 0.766 . . . . 0.0 110.998 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.419 ' CD1' ' H ' ' D' ' 51' ' ' ILE . 4.8 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 125.824 1.649 . . . . 0.0 111.42 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 119.736 -0.174 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -136.94 119.86 16.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.515 0.726 . . . . 0.0 109.498 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 mm -102.15 140.14 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.968 0.907 . . . . 0.0 110.397 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.3 161.38 36.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.206 1.403 . . . . 0.0 110.575 -177.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 127.74 35.92 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 168.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -135.69 126.86 28.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.155 0.982 . . . . 0.0 110.126 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -89.63 164.39 14.76 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.484 1.038 . . . . 0.0 112.207 173.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -56.6 140.19 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.903 -173.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.4 -6.3 83.73 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.015 0.817 . . . . 0.0 114.223 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.57 177.32 5.85 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.782 1.291 . . . . 0.0 111.643 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 22.7 m -139.14 157.52 45.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.19 150.36 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 126.742 2.017 . . . . 0.0 108.366 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -125.86 150.29 47.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.48 0.657 . . . . 0.0 112.394 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 51.1 mt -135.47 134.08 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.793 1.237 . . . . 0.0 109.259 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.06 -134.89 52.26 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -174.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.87 10.09 5.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.223 1.009 . . . . 0.0 112.146 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -126.28 -12.02 6.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.21 132.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 119.082 0.855 . . . . 0.0 110.909 -171.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 17.1 m -125.55 143.46 51.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.292 1.037 . . . . 0.0 110.188 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -122.51 136.88 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.219 1.408 . . . . 0.0 108.388 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 21.3 m -132.38 123.55 26.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.203 0.601 . . . . 0.0 109.828 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.0 99.78 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.86 -30.04 68.47 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.782 0.433 . . . . 0.0 110.724 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.4 -178.24 32.14 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.972 0.796 . . . . 0.0 112.929 169.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -103.59 152.77 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.134 0.574 . . . . 0.0 111.188 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -144.21 90.03 2.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.485 1.114 . . . . 0.0 108.978 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -128.25 32.48 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -169.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -81.65 -21.17 38.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.505 0.652 . . . . 0.0 112.005 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.11 149.15 49.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.302 0.641 . . . . 0.0 109.845 173.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.83 121.41 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -93.66 123.07 36.74 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.081 0.552 . . . . 0.0 110.0 -175.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.51 131.25 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.277 0.631 . . . . 0.0 110.644 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.35 143.22 16.4 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.35 0.976 . . . . 0.0 111.381 170.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -133.49 128.23 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.868 1.267 . . . . 0.0 108.606 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -130.42 98.98 4.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -170.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.11 155.51 74.35 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.614 1.166 . . . . 0.0 110.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.41 158.48 35.84 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.833 2.356 . . . . 0.0 111.933 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -68.58 -1.04 5.88 Favored 'General case' 0 N--CA 1.458 -0.043 0 C-N-CA 123.376 0.67 . . . . 0.0 112.646 169.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.85 -23.59 67.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.72 1.208 . . . . 0.0 111.432 169.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.11 153.67 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.424 1.089 . . . . 0.0 110.327 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.02 158.67 17.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.466 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.09 129.85 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 121.942 -0.474 . . . . 0.0 110.747 169.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -152.69 167.65 28.25 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.746 0.818 . . . . 0.0 111.547 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtm105 -71.69 159.74 33.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 167.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -18.98 65.67 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -43.63 91.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.854 0.862 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.8 -37.92 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.342 0.657 . . . . 0.0 109.813 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.42 -36.24 53.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.58 0.752 . . . . 0.0 112.446 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.44 -21.88 62.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.969 0.908 . . . . 0.0 112.71 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.73 -47.58 45.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.194 0.598 . . . . 0.0 109.478 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.31 -22.9 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 125.145 1.378 . . . . 0.0 110.586 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 169.623 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 110.827 -0.064 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.3 150.01 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.844 0.458 . . . . 0.0 111.345 173.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.19 132.37 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 169.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.66 157.63 41.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.696 1.198 . . . . 0.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -132.78 96.95 3.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.741 0.246 . . . . 0.0 110.378 169.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 160.86 24.46 Favored 'General case' 0 N--CA 1.46 0.05 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -102.51 174.52 5.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -169.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -59.74 137.96 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.053 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -3.84 85.31 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 119.27 -0.739 . . . . 0.0 114.471 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.21 179.42 6.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.776 1.288 . . . . 0.0 111.883 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -144.66 155.87 43.81 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.035 0.934 . . . . 0.0 112.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mt -135.31 155.76 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 125.939 1.696 . . . . 0.0 108.017 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -131.46 146.03 52.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.586 -0.696 . . . . 0.0 111.636 -172.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.68 140.81 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.592 1.157 . . . . 0.0 109.225 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.75 -135.5 51.9 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -127.18 10.08 6.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.154 0.982 . . . . 0.0 112.246 170.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -130.27 -19.73 3.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.61 137.27 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 119.118 0.872 . . . . 0.0 110.767 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -136.24 142.66 44.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.35 1.06 . . . . 0.0 110.541 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -116.3 142.21 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.715 1.606 . . . . 0.0 108.213 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 35.0 m -136.69 134.25 37.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.005 0.922 . . . . 0.0 109.737 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -95.29 113.03 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.6 -28.45 37.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.538 0.335 . . . . 0.0 110.535 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.56 -169.2 32.26 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.017 0.342 . . . . 0.0 113.315 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.91 159.96 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.32 0.648 . . . . 0.0 111.909 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -148.88 96.9 2.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.426 1.09 . . . . 0.0 109.187 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.64 -102.96 1.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -102.34 -18.7 15.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.071 0.548 . . . . 0.0 112.1 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.88 144.67 47.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.104 0.562 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.96 112.34 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -87.76 125.49 34.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.67 130.51 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.164 0.986 . . . . 0.0 109.996 -168.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.58 139.12 14.27 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 169.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -126.01 136.35 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.952 0.901 . . . . 0.0 108.814 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -129.49 107.9 9.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.866 0.866 . . . . 0.0 109.172 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.28 158.5 72.24 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.687 0.795 . . . . 0.0 111.301 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.84 161.75 34.96 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.935 2.423 . . . . 0.0 112.186 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.27 -11.57 57.85 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.713 0.805 . . . . 0.0 112.735 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.96 -20.19 66.35 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.125 1.37 . . . . 0.0 112.711 175.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.13 163.95 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.655 0.782 . . . . 0.0 111.407 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.75 162.86 13.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.551 0.74 . . . . 0.0 111.579 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.04 115.36 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.251 0.62 . . . . 0.0 110.642 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -154.11 173.84 15.52 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.063 0.945 . . . . 0.0 110.936 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 30.6 ptt-85 -76.06 164.11 26.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 168.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -21.36 63.73 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -174.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.45 -46.58 82.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.436 0.695 . . . . 0.0 111.19 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -81.98 -30.91 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.377 0.671 . . . . 0.0 109.906 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -55.19 -37.43 67.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.49 0.716 . . . . 0.0 112.269 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.9 -23.97 64.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -76.78 -23.77 52.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.642 0.777 . . . . 0.0 111.35 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 124.97 1.308 . . . . 0.0 110.287 -172.286 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.29 111.88 24.06 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.683 0.793 . . . . 0.0 109.505 -176.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.3 134.01 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.528 0.731 . . . . 0.0 109.126 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.3 mt -129.67 158.18 40.05 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.268 1.027 . . . . 0.0 109.771 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 100.88 7.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.01 128.05 55.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.326 0.651 . . . . 0.0 110.714 -168.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -91.65 153.19 19.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -62.94 136.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 119.692 -0.803 . . . . 0.0 112.097 -169.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -2.19 63.41 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.489 1.043 . . . . 0.0 114.174 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -102.7 171.8 7.21 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.735 1.267 . . . . 0.0 111.714 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -137.26 149.29 47.02 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -168.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.4 mm -107.23 158.39 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.648 1.579 . . . . 0.0 109.511 169.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -132.79 134.58 44.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.552 1.141 . . . . 0.0 109.728 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -131.76 125.8 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.245 1.018 . . . . 0.0 109.659 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.91 -129.24 32.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.92 0.02 7.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.883 0.873 . . . . 0.0 112.333 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -132.15 -23.66 2.17 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -169.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.51 134.58 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.97 0.805 . . . . 0.0 110.503 -172.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -128.7 138.42 52.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.962 0.905 . . . . 0.0 109.301 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -118.31 140.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.381 1.073 . . . . 0.0 108.348 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 m -134.47 126.49 29.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.16 101.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 169.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.26 -37.62 74.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.87 -169.51 33.57 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 114.887 0.715 . . . . 0.0 114.887 166.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -89.2 158.76 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.6 0.76 . . . . 0.0 112.493 -169.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 m -147.26 60.89 1.17 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.82 1.248 . . . . 0.0 108.385 168.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -130.88 19.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -168.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -81.58 -8.37 59.71 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.419 0.688 . . . . 0.0 112.658 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 13.3 pt20 -98.85 134.69 41.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.575 1.179 . . . . 0.0 110.168 168.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.08 124.0 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 126.226 1.81 . . . . 0.0 108.945 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -93.96 101.9 13.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.207 0.527 . . . . 0.0 110.089 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.4 mt -108.41 135.35 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 124.952 1.301 . . . . 0.0 109.471 -176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.02 142.67 16.19 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.892 0.758 . . . . 0.0 111.663 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.43 125.41 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.194 1.398 . . . . 0.0 108.596 177.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -106.77 82.75 1.75 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.357 1.063 . . . . 0.0 108.954 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.42 153.72 44.77 Favored Pre-proline 0 N--CA 1.453 -0.284 0 C-N-CA 124.224 1.01 . . . . 0.0 110.266 169.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.87 154.06 58.48 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.322 2.015 . . . . 0.0 110.46 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.17 -2.49 13.27 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.52 -24.62 62.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.905 0.882 . . . . 0.0 111.716 169.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.05 144.08 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 121.953 0.882 . . . . 0.0 111.593 172.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 143.03 28.18 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.735 0.814 . . . . 0.0 110.544 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 m -132.09 130.43 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.84 0.456 . . . . 0.0 109.928 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -151.58 159.6 44.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.671 0.788 . . . . 0.0 110.379 -173.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 162.16 19.01 Favored 'General case' 0 N--CA 1.456 -0.139 0 O-C-N 122.212 -0.305 . . . . 0.0 111.774 169.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.82 -31.58 72.88 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.535 0.734 . . . . 0.0 112.365 -173.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.31 -25.17 22.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.317 1.047 . . . . 0.0 112.652 171.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.3 -26.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.611 1.164 . . . . 0.0 110.986 -169.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.4 -31.71 72.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.553 -0.717 . . . . 0.0 110.697 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.91 -16.54 61.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -77.84 -33.21 52.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.855 0.862 . . . . 0.0 111.087 170.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.81 -52.47 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.659 0.784 . . . . 0.0 108.997 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 . . . . . 0 N--CA 1.452 -0.362 0 C-N-CA 123.705 0.802 . . . . 0.0 112.267 -173.284 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.743 -0.17 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -108.08 120.95 43.78 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 168.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.8 mt -117.52 136.6 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.751 0.42 . . . . 0.0 112.016 -166.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -138.8 139.39 38.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.677 1.191 . . . . 0.0 110.504 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.5 p -86.03 132.22 34.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 166.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.86 112.99 14.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 64.7 tttt -82.58 146.45 29.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.2 129.2 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 121.216 0.531 . . . . 0.0 111.667 -168.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.57 -12.47 61.35 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.149 0.88 . . . . 0.0 114.813 -176.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -82.01 165.49 20.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.11 1.455 . . . . 0.0 111.66 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -133.7 157.23 46.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.598 0.759 . . . . 0.0 112.434 -171.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mt -136.86 157.15 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.907 1.683 . . . . 0.0 109.302 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -138.78 142.0 38.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.481 0.712 . . . . 0.0 111.058 -171.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -133.48 127.39 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.421 1.089 . . . . 0.0 109.608 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.87 -135.07 52.26 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -120.57 -2.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.725 0.81 . . . . 0.0 112.424 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.81 -18.85 11.23 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.47 134.79 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.901 0.773 . . . . 0.0 110.958 -170.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.38 149.35 52.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.689 1.196 . . . . 0.0 109.949 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.7 mm -129.15 145.12 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.0 1.72 . . . . 0.0 108.28 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -137.16 131.55 32.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.889 0.476 . . . . 0.0 110.06 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -82.46 95.19 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.46 -33.11 75.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.945 -0.472 . . . . 0.0 110.891 -175.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 -179.23 35.98 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 123.369 0.509 . . . . 0.0 112.058 171.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.48 145.28 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.223 0.535 . . . . 0.0 110.323 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -121.21 71.83 0.97 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.798 1.239 . . . . 0.0 108.0 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.36 -119.76 5.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -171.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . 0.469 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -98.19 11.31 38.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 122.012 -0.699 . . . . 0.0 111.494 174.701 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -98.94 156.44 16.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.106 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.77 115.51 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.65 117.5 23.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.006 0.922 . . . . 0.0 109.724 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.38 129.81 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.393 1.077 . . . . 0.0 109.463 -171.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.83 136.12 13.01 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -120.08 130.57 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.86 0.838 . . . . 0.0 109.314 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -130.2 76.81 1.75 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.214 -168.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.73 157.13 63.73 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.85 176.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.11 158.01 36.67 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.026 1.818 . . . . 0.0 111.684 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -71.66 -0.9 11.95 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.909 0.884 . . . . 0.0 112.253 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.99 -25.32 67.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.255 1.422 . . . . 0.0 111.634 169.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -111.93 144.09 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.106 0.963 . . . . 0.0 109.986 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.9 143.08 27.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.491 0.662 . . . . 0.0 111.225 169.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.53 97.45 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.021 -166.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 163.77 34.35 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.92 0.488 . . . . 0.0 111.469 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -69.05 159.85 32.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.534 0.207 . . . . 0.0 111.209 169.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -55.01 -38.12 67.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.393 0.677 . . . . 0.0 112.568 -175.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -48.68 -50.63 32.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.346 0.521 . . . . 0.0 110.874 175.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -74.52 -47.94 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.084 1.354 . . . . 0.0 109.925 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.94 -37.5 44.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.263 1.025 . . . . 0.0 111.735 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -70.53 -22.89 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.82 -38.59 21.04 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.287 0.949 . . . . 0.0 110.735 170.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.67 -40.9 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -80.17 4.99 15.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.43 -19.86 48.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.913 0.485 . . . . 0.0 111.272 168.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.84 47.48 0.08 OUTLIER Glycine 0 C--N 1.338 0.639 0 CA-C-O 119.438 -0.645 . . . . 0.0 114.071 169.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -176.72 2.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.92 0.86 . . . . 0.0 112.866 -168.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.9 p -125.41 178.42 5.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.461 1.504 . . . . 0.0 109.345 167.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.65 119.02 1.08 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 124.778 1.231 . . . . 0.0 112.045 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -70.37 177.48 5.96 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.847 1.698 . . . . 0.0 114.959 -169.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 125.321 1.448 . . . . 0.0 113.002 -177.713 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.44 1.9 tpp . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.388 0.613 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.45 21.87 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 168.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 130.97 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -122.95 134.98 54.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.419 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -84.12 138.0 33.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 167.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -141.22 141.16 34.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.591 0.234 . . . . 0.0 110.676 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -108.65 143.66 37.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.883 0.873 . . . . 0.0 108.848 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -52.04 130.95 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.98 -12.19 62.31 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.462 1.506 . . . . 0.0 114.351 -175.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -87.79 -179.1 6.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.396 1.598 . . . . 0.0 112.581 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 60.1 m -145.37 159.73 42.61 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -167.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.9 mt -135.2 159.8 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 127.655 2.382 . . . . 0.0 108.3 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -129.28 146.53 51.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.434 1.094 . . . . 0.0 111.207 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.48 141.62 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.637 1.175 . . . . 0.0 109.098 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.54 -135.81 50.11 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -170.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -123.75 10.05 8.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.907 0.883 . . . . 0.0 111.151 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.17 -8.96 3.81 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.258 1.023 . . . . 0.0 113.51 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.96 138.02 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.726 0.694 . . . . 0.0 110.95 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 16.1 m -122.65 144.07 49.36 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.699 1.2 . . . . 0.0 109.303 169.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.27 145.33 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.094 1.358 . . . . 0.0 107.854 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m -136.71 139.55 42.02 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 118.572 0.624 . . . . 0.0 110.882 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.7 tp -91.83 110.02 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.84 -36.75 17.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.702 -0.623 . . . . 0.0 109.657 -172.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.92 175.06 39.24 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.344 -0.455 . . . . 0.0 114.019 168.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -112.75 148.41 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.383 0.673 . . . . 0.0 110.435 169.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 105.95 3.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.23 -142.04 28.78 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.814 -168.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.41 2.95 38.26 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.542 1.137 . . . . 0.0 110.668 168.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.97 143.31 26.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.774 1.63 . . . . 0.0 110.38 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.56 120.25 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -81.3 119.29 23.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 mt -117.3 130.33 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.921 1.288 . . . . 0.0 110.112 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.69 139.73 14.77 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 125.643 1.592 . . . . 0.0 111.501 171.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.34 137.69 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -137.98 94.22 2.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -173.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.32 153.76 69.08 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 110.803 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.18 151.58 81.24 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.936 2.424 . . . . 0.0 111.096 171.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -64.3 -1.04 1.46 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.554 0.741 . . . . 0.0 112.765 172.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.9 -22.94 66.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 111.502 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.05 146.09 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.337 1.055 . . . . 0.0 110.25 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.12 154.84 19.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.886 0.474 . . . . 0.0 111.207 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -140.19 130.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.84 0.456 . . . . 0.0 110.255 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -157.0 164.6 37.82 Favored 'General case' 0 C--N 1.337 0.035 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -69.82 150.78 46.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 165.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.5 -38.16 71.4 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.53 -19.32 60.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -92.74 -31.12 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 110.82 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -52.54 -43.55 65.23 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.621 -0.675 . . . . 0.0 111.454 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -62.23 -27.41 68.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.324 0.65 . . . . 0.0 112.703 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -69.07 -40.32 78.55 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.439 0.696 . . . . 0.0 111.446 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 122.433 0.293 . . . . 0.0 110.357 176.015 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.19 107.48 14.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 167.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.98 140.27 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.496 1.118 . . . . 0.0 109.623 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.91 162.0 39.65 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.519 0.728 . . . . 0.0 111.436 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -88.25 148.14 24.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 111.407 173.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -138.1 137.67 37.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.73 0.812 . . . . 0.0 109.983 169.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -85.91 155.55 20.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.254 0.479 . . . . 0.0 110.159 169.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -55.09 135.75 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.533 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.35 -2.59 81.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.315 0.96 . . . . 0.0 114.182 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -98.71 175.92 5.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.827 1.314 . . . . 0.0 111.931 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -133.93 161.79 33.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mt -141.83 157.25 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.171 2.189 . . . . 0.0 108.306 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.13 148.78 50.6 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.571 -0.705 . . . . 0.0 111.837 177.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -133.96 135.19 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.103 1.361 . . . . 0.0 109.545 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.86 44.0 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -124.67 1.66 8.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.883 0.873 . . . . 0.0 111.79 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -134.44 -10.77 2.47 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.41 132.15 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 118.941 0.792 . . . . 0.0 110.36 -175.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 12.2 m -120.13 147.48 44.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.759 0.824 . . . . 0.0 109.753 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -126.65 142.78 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 125.284 1.434 . . . . 0.0 108.173 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 13.3 m -138.42 128.44 25.5 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.36 102.93 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.12 -29.77 43.4 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.925 -0.484 . . . . 0.0 111.037 -169.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.17 -178.6 39.45 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 121.795 -0.241 . . . . 0.0 113.395 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -111.16 160.03 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.356 0.663 . . . . 0.0 111.394 170.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -143.73 73.25 1.38 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.11 1.364 . . . . 0.0 108.626 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.27 -116.55 4.58 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.32 -22.91 43.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.996 1.318 . . . . 0.0 110.468 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -82.99 155.69 23.83 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.552 1.141 . . . . 0.0 111.542 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -142.28 122.93 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.195 0.998 . . . . 0.0 108.412 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -83.47 124.3 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.261 0.482 . . . . 0.0 109.884 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -129.78 119.83 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.842 0.857 . . . . 0.0 109.491 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.49 141.18 19.53 Favored Glycine 0 CA--C 1.523 0.531 0 C-N-CA 124.884 1.231 . . . . 0.0 110.766 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.07 136.15 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -136.19 89.86 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.187 0.595 . . . . 0.0 109.755 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 156.51 71.2 Favored Pre-proline 0 N--CA 1.45 -0.437 0 C-N-CA 124.918 1.287 . . . . 0.0 109.422 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.29 151.6 84.08 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.916 1.744 . . . . 0.0 110.009 169.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.07 -0.86 2.66 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.031 0.532 . . . . 0.0 112.343 169.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.9 -23.9 66.73 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.92 1.288 . . . . 0.0 111.23 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -127.34 159.63 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.632 1.173 . . . . 0.0 110.63 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.42 157.07 16.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.952 0.501 . . . . 0.0 112.266 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.6 127.85 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.955 0.502 . . . . 0.0 109.677 167.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -149.55 163.67 37.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.227 0.611 . . . . 0.0 111.677 175.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -63.48 158.46 20.82 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -63.06 -33.56 75.69 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.399 0.545 . . . . 0.0 112.153 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.0 -52.63 64.95 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.532 0.605 . . . . 0.0 110.798 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.85 -44.84 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.943 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -48.96 -42.56 37.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.788 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -57.76 -26.48 61.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.822 0.849 . . . . 0.0 112.926 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.81 -33.36 60.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.713 1.205 . . . . 0.0 110.841 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.453 -0.301 0 C-N-CA 126.924 2.09 . . . . 0.0 109.851 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tt -104.99 140.03 38.79 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.511 1.524 . . . . 0.0 109.337 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.1 139.54 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.866 0.866 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.6 mt -134.09 165.03 26.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.579 1.552 . . . . 0.0 110.657 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 99.76 5.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 168.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -104.99 129.88 53.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.124 1.369 . . . . 0.0 111.871 -169.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -80.07 155.12 27.7 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.307 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.71 137.08 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 111.498 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.99 -4.11 83.01 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.157 -0.801 . . . . 0.0 114.319 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -94.44 178.42 5.62 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.901 1.35 . . . . 0.0 111.489 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -138.43 156.83 47.21 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -169.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.8 mt -136.12 157.6 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 126.534 1.934 . . . . 0.0 108.114 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.43 149.78 48.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.489 -0.757 . . . . 0.0 112.909 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -137.52 138.72 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.677 1.191 . . . . 0.0 109.075 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.66 -138.14 49.58 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.0 10.01 7.54 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.072 0.949 . . . . 0.0 112.446 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.26 -11.48 4.12 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.62 135.17 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 119.247 0.93 . . . . 0.0 111.194 -169.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -127.04 143.64 51.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.353 1.061 . . . . 0.0 110.229 174.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -121.23 136.38 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.358 1.463 . . . . 0.0 108.189 175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -132.5 123.56 26.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.246 0.618 . . . . 0.0 109.823 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -80.97 102.37 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 175.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.5 -31.75 68.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.552 0.341 . . . . 0.0 110.69 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.68 -169.69 32.36 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.386 0.517 . . . . 0.0 113.241 170.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.76 160.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -149.98 98.1 2.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.592 1.557 . . . . 0.0 108.95 169.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.89 -119.82 8.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -173.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.4 -12.09 35.81 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.548 0.674 . . . . 0.0 111.416 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -83.32 141.0 32.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.822 0.82 . . . . 0.0 110.697 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.09 109.65 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -168.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -89.16 122.04 32.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.07 126.39 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.158 0.983 . . . . 0.0 110.098 -169.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.57 139.97 17.71 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.075 0.845 . . . . 0.0 111.027 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.2 mt -130.88 124.79 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.781 1.232 . . . . 0.0 108.555 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -127.77 99.02 5.38 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.5 155.89 71.67 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.648 1.179 . . . . 0.0 110.6 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.72 159.23 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.972 2.448 . . . . 0.0 112.088 171.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -68.74 -0.9 5.9 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.429 0.691 . . . . 0.0 112.687 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.9 -24.01 67.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.839 1.255 . . . . 0.0 111.544 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.08 156.04 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.216 1.006 . . . . 0.0 110.766 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.58 154.4 20.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.648 173.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.12 126.01 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.873 0.469 . . . . 0.0 110.171 168.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -149.49 165.76 31.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.24 1.016 . . . . 0.0 109.838 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -77.47 161.65 27.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.678 -0.639 . . . . 0.0 109.835 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.91 -22.35 59.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.19 -51.39 61.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.004 0.922 . . . . 0.0 111.41 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.39 -32.74 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.668 0.787 . . . . 0.0 109.582 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -55.96 -36.17 67.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.193 0.597 . . . . 0.0 112.607 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.89 -28.69 67.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.845 -0.534 . . . . 0.0 112.325 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -71.66 -23.67 61.71 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.112 0.565 . . . . 0.0 110.361 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -99.16 -27.15 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.73 1.612 . . . . 0.0 112.288 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 175.049 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tpt . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -97.56 150.36 21.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.874 0.47 . . . . 0.0 111.452 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 169.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.46 150.2 35.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.642 1.577 . . . . 0.0 108.875 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -122.43 101.09 7.29 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.318 0.58 . . . . 0.0 110.344 169.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -104.97 144.56 31.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.399 1.479 . . . . 0.0 109.367 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -107.29 164.33 12.27 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.867 1.212 . . . . 0.0 113.485 169.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -53.89 134.85 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.925 -169.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.28 -11.0 69.41 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.356 0.979 . . . . 0.0 114.122 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -97.26 176.96 5.72 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.759 1.28 . . . . 0.0 112.33 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -136.09 161.25 36.22 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -136.49 156.7 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 127.114 2.166 . . . . 0.0 107.982 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -131.75 151.45 51.64 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.328 -0.858 . . . . 0.0 112.639 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.63 141.22 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.64 1.176 . . . . 0.0 109.053 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.62 -137.25 49.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -121.63 10.08 10.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.352 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.65 -17.46 1.11 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.12 137.77 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.119 0.872 . . . . 0.0 110.717 -171.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -126.29 141.03 52.07 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.212 1.005 . . . . 0.0 110.361 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -118.17 139.87 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.548 1.539 . . . . 0.0 107.931 171.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -136.35 127.92 28.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.147 0.579 . . . . 0.0 109.779 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.89 108.11 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.75 -29.98 45.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.83 0.452 . . . . 0.0 110.89 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.61 -170.44 34.64 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 123.262 0.458 . . . . 0.0 113.029 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.16 151.11 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 112.033 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.7 m -139.9 90.03 2.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.317 1.447 . . . . 0.0 108.768 170.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.83 -125.07 29.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.661 -0.575 . . . . 0.0 111.661 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -80.11 -15.57 56.83 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.05 142.09 31.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.458 0.647 . . . . 0.0 110.327 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -128.74 117.06 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -85.93 117.86 25.04 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.18 133.97 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.861 0.864 . . . . 0.0 109.791 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.82 141.47 15.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.153 0.883 . . . . 0.0 111.308 172.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.05 137.64 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.317 1.047 . . . . 0.0 109.597 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -131.65 106.44 8.16 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.129 0.972 . . . . 0.0 109.605 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.31 158.15 75.19 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.798 0.839 . . . . 0.0 111.472 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.19 162.63 29.07 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.953 2.435 . . . . 0.0 112.338 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.82 -4.9 14.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 169.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.48 -23.62 66.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.236 1.414 . . . . 0.0 112.153 173.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -129.17 164.8 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 111.007 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.74 161.51 14.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.308 0.643 . . . . 0.0 111.399 170.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.96 122.57 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.404 0.682 . . . . 0.0 110.37 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.6 173.53 15.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.168 0.987 . . . . 0.0 110.252 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -78.29 163.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.792 -0.568 . . . . 0.0 109.96 169.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -60.73 -29.96 69.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.854 0.461 . . . . 0.0 112.205 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.68 -44.61 77.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.021 0.928 . . . . 0.0 111.615 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -89.17 -30.67 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.602 0.761 . . . . 0.0 110.298 -170.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -49.85 -35.35 22.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 112.714 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -59.95 -22.0 61.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.05 0.94 . . . . 0.0 112.694 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -72.91 -47.77 42.86 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.455 -0.212 0 C-N-CA 125.456 1.502 . . . . 0.0 110.554 -178.209 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 ttp . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.18 108.76 20.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.696 0.798 . . . . 0.0 109.979 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.12 135.03 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.54 157.58 41.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 109.748 172.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -119.12 100.98 7.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.96 143.26 46.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.868 0.867 . . . . 0.0 110.622 -168.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -108.45 160.34 15.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.88 -0.512 . . . . 0.0 110.631 -170.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -47.73 126.02 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.324 0.649 . . . . 0.0 110.555 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 -5.91 78.3 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.511 1.053 . . . . 0.0 114.921 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -80.3 159.69 25.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.926 1.363 . . . . 0.0 111.249 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 m -134.3 133.15 40.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.485 0.714 . . . . 0.0 112.313 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.507 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.1 mm -102.18 155.75 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 124.676 1.19 . . . . 0.0 109.922 173.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.33 135.22 46.04 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.098 0.959 . . . . 0.0 110.846 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.72 124.57 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.15 0.98 . . . . 0.0 110.892 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.89 -121.47 23.51 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 166.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -80.53 0.9 31.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -165.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 147.0 7.28 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 128.419 2.688 . . . . 0.0 112.17 168.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.95 129.02 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 O-C-N 120.859 -1.151 . . . . 0.0 109.379 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -123.37 135.0 53.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.23 0.612 . . . . 0.0 109.913 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 mm -122.59 119.91 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.754 0.822 . . . . 0.0 109.229 -171.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.9 m -116.19 133.2 56.28 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.797 0.726 . . . . 0.0 110.574 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -83.92 105.62 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -27.42 60.85 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.0 -167.99 38.28 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 122.779 0.228 . . . . 0.0 113.249 168.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.35 154.18 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.892 0.877 . . . . 0.0 111.399 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -133.99 73.2 1.49 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.511 1.124 . . . . 0.0 109.466 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.25 -120.31 7.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -83.66 6.47 20.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.124 0.57 . . . . 0.0 111.989 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -98.82 158.43 15.63 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.909 0.861 . . . . 0.0 111.29 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -142.05 107.99 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.834 1.654 . . . . 0.0 108.319 -168.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -94.89 101.9 13.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.206 0.602 . . . . 0.0 110.096 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.8 mt -106.99 134.54 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.212 1.405 . . . . 0.0 110.209 -174.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.4 134.64 12.17 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -108.25 128.49 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.114 1.366 . . . . 0.0 108.448 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -117.59 74.91 0.96 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.23 1.012 . . . . 0.0 109.414 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 152.41 39.4 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 125.09 1.356 . . . . 0.0 110.693 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.32 153.07 61.62 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.503 2.135 . . . . 0.0 110.242 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.02 -2.31 12.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.69 -24.97 63.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.859 0.864 . . . . 0.0 111.903 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -114.9 144.07 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 121.964 0.887 . . . . 0.0 111.709 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.02 143.1 29.99 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.918 0.887 . . . . 0.0 110.622 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.93 128.69 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.767 0.427 . . . . 0.0 110.148 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -151.7 156.81 41.09 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.729 0.812 . . . . 0.0 110.524 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 162.48 18.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.923 170.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.67 -32.0 73.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.54 0.736 . . . . 0.0 112.429 -172.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.41 -25.94 17.82 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.612 1.165 . . . . 0.0 112.665 170.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -116.92 -24.74 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.573 1.149 . . . . 0.0 110.921 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -61.43 -31.53 71.47 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.792 0.723 . . . . 0.0 110.817 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.28 -15.74 61.4 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 111.815 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.8 -34.93 33.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.207 1.003 . . . . 0.0 110.879 169.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.5 mt -62.14 -52.44 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.813 0.845 . . . . 0.0 109.035 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 123.695 0.798 . . . . 0.0 112.67 -174.3 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.7 120.2 41.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 63.7 mt -115.62 140.03 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 121.017 0.437 . . . . 0.0 112.105 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -133.93 127.76 33.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 63.4 m -89.8 101.54 14.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 169.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.9 172.94 7.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.242 1.417 . . . . 0.0 109.77 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -145.41 158.05 43.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.293 1.037 . . . . 0.0 108.777 167.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.38 133.8 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -168.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.18 64.66 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 114.866 -1.061 . . . . 0.0 114.512 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.77 171.2 13.38 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.825 1.312 . . . . 0.0 111.846 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -135.51 157.6 46.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.81 0.844 . . . . 0.0 112.163 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -131.88 157.48 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 125.606 1.562 . . . . 0.0 109.2 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -136.58 138.87 41.69 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.88 0.872 . . . . 0.0 110.68 -173.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -133.71 129.61 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.257 1.023 . . . . 0.0 109.639 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.94 -135.69 51.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -120.51 0.52 10.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.64 0.776 . . . . 0.0 112.212 173.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -119.26 -17.01 8.97 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -170.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.85 135.28 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 118.774 0.716 . . . . 0.0 110.856 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -130.45 149.13 52.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.77 1.228 . . . . 0.0 109.731 170.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 mm -126.81 145.45 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.762 1.625 . . . . 0.0 108.256 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -134.89 129.56 34.56 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.07 0.548 . . . . 0.0 110.12 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -85.45 98.61 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -69.92 -31.27 68.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.088 -0.383 . . . . 0.0 111.156 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.4 177.34 31.4 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 123.567 0.603 . . . . 0.0 112.885 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -111.33 152.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.951 0.501 . . . . 0.0 110.842 176.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -130.65 78.52 1.85 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.656 1.183 . . . . 0.0 108.895 170.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.17 -119.43 5.03 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.67 8.83 43.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.387 0.675 . . . . 0.0 110.821 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -98.93 151.97 20.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.674 0.789 . . . . 0.0 110.198 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.94 109.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 123.702 0.801 . . . . 0.0 108.94 -169.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.75 116.75 22.84 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.317 1.047 . . . . 0.0 109.175 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -134.89 141.88 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.257 0.623 . . . . 0.0 111.403 -177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.18 141.76 15.58 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 124.123 0.868 . . . . 0.0 111.539 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.4 mt -119.53 131.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.036 0.935 . . . . 0.0 108.933 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -131.1 75.7 1.67 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.532 -167.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 157.48 56.93 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.673 175.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.18 154.88 43.09 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 121.904 1.736 . . . . 0.0 110.884 169.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -66.6 -0.75 3.04 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.43 0.692 . . . . 0.0 112.274 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.9 -27.4 68.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.163 1.385 . . . . 0.0 111.431 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -108.81 144.06 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.513 1.125 . . . . 0.0 110.303 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.41 142.06 28.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.452 0.644 . . . . 0.0 111.497 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.2 t -142.84 95.07 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.23 -166.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.67 163.76 34.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.905 0.882 . . . . 0.0 110.858 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.5 ptt180 -76.94 161.32 28.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.241 0.616 . . . . 0.0 112.608 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -54.82 -40.06 69.17 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.702 0.801 . . . . 0.0 112.229 -171.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.45 -24.27 67.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.511 -0.743 . . . . 0.0 112.692 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -88.08 -47.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.18 0.992 . . . . 0.0 110.464 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -50.91 -36.97 41.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.237 1.415 . . . . 0.0 112.169 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.65 -23.32 63.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -78.97 -39.01 35.53 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 118.932 0.787 . . . . 0.0 110.456 170.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.65 -41.15 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -79.17 4.98 13.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.04 -20.02 46.24 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.93 -0.481 . . . . 0.0 111.505 168.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.04 46.41 0.07 OUTLIER Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.38 -0.678 . . . . 0.0 114.531 168.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.04 -175.67 2.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.017 0.908 . . . . 0.0 113.074 -168.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -125.94 -179.92 4.91 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.465 1.506 . . . . 0.0 109.015 167.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.33 121.4 1.33 Allowed Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 124.355 1.062 . . . . 0.0 111.91 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -68.26 -175.17 0.77 Allowed 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.012 2.474 . . . . 0.0 112.951 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.717 169.186 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.82 107.43 16.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 167.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -83.22 132.16 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.583 0.753 . . . . 0.0 109.471 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 80.0 mt -125.46 134.92 51.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 169.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -93.53 150.05 20.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.32 169.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . 0.407 ' HD3' HG13 ' C' ' 12' ' ' ILE . 21.8 ttp180 -145.99 146.92 31.18 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.558 -174.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.51 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 8.1 tptm -103.7 149.86 24.57 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -56.52 135.17 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.075 0.852 . . . . 0.0 112.479 -172.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -5.85 76.83 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.288 1.423 . . . . 0.0 114.608 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -86.32 -172.33 3.99 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.456 1.628 . . . . 0.0 112.289 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.2 m -148.23 158.65 44.21 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.68 1.192 . . . . 0.0 112.903 -168.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . 0.407 HG13 ' HD3' ' C' ' 6' ' ' ARG . 44.1 mt -135.78 157.66 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 C-N-CA 127.327 2.251 . . . . 0.0 108.192 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -128.08 146.5 50.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.711 0.805 . . . . 0.0 111.612 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -132.06 137.33 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.619 1.168 . . . . 0.0 108.73 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -135.07 51.8 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.12 5.67 9.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.018 0.927 . . . . 0.0 111.785 172.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.19 -8.27 4.8 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.8 135.8 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 118.68 0.673 . . . . 0.0 110.596 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -121.94 137.9 54.62 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.604 1.161 . . . . 0.0 109.167 169.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -116.51 141.14 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -131.29 136.81 48.47 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.303 0.501 . . . . 0.0 110.449 -173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 tp -94.46 111.85 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mt -90.01 -33.91 16.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -174.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.42 -168.08 39.24 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-O 120.186 -0.23 . . . . 0.0 113.094 167.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.86 163.98 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 CA-C-O 121.541 0.686 . . . . 0.0 111.86 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 m -146.85 69.95 1.19 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 108.655 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.04 -109.14 2.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -168.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.44 -6.38 30.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -93.97 160.02 14.91 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 122.05 0.929 . . . . 0.0 111.969 171.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.01 117.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -75.83 107.28 7.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 170.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -110.65 133.49 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.161 1.384 . . . . 0.0 109.118 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.69 142.02 15.39 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.576 1.084 . . . . 0.0 111.867 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -132.27 114.65 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.89 1.276 . . . . 0.0 107.675 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -123.34 98.56 5.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 110.234 -168.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.44 62.79 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 124.474 1.11 . . . . 0.0 109.805 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.27 151.28 80.18 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.625 2.216 . . . . 0.0 111.222 171.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -64.36 -0.94 1.44 Allowed 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.693 0.797 . . . . 0.0 112.745 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.89 -23.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.345 1.058 . . . . 0.0 111.569 169.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -120.44 146.21 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.082 0.953 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 152.1 23.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.784 0.434 . . . . 0.0 111.054 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -136.52 133.49 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.068 0.547 . . . . 0.0 109.711 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -153.71 158.43 41.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.994 0.518 . . . . 0.0 111.606 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -72.04 155.09 40.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 166.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.75 -30.86 69.15 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.66 -45.45 81.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.877 0.871 . . . . 0.0 111.69 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -88.95 -30.89 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.252 0.621 . . . . 0.0 110.609 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -50.91 -38.82 52.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.469 0.708 . . . . 0.0 112.164 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.15 -32.35 68.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.634 0.774 . . . . 0.0 112.267 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -70.15 -39.13 75.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.191 0.596 . . . . 0.0 111.804 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.454 -0.244 0 CA-C-N 118.039 0.381 . . . . 0.0 110.047 177.883 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -116.83 119.41 35.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.645 1.178 . . . . 0.0 109.553 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.24 136.13 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.296 1.038 . . . . 0.0 110.013 -169.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.5 164.68 28.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.004 1.322 . . . . 0.0 111.607 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -106.59 115.02 29.47 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 164.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.13 127.31 53.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.692 0.797 . . . . 0.0 110.147 172.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 66.6 mttt -83.81 156.17 22.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.928 0.785 . . . . 0.0 111.356 170.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.05 134.04 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.326 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.94 -5.63 72.6 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.58 1.086 . . . . 0.0 114.226 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -95.23 179.08 5.31 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.854 1.327 . . . . 0.0 112.013 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -137.82 158.18 44.9 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -169.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.8 mt -137.08 159.95 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 127.262 2.225 . . . . 0.0 108.386 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -134.92 149.72 50.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.662 0.785 . . . . 0.0 112.284 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -134.56 136.26 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.951 1.301 . . . . 0.0 108.963 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.77 -135.92 51.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.45 5.51 9.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.774 0.83 . . . . 0.0 112.151 174.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -128.81 -10.89 4.91 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -172.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.61 135.96 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.833 0.742 . . . . 0.0 110.865 -170.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.1 m -122.3 145.45 48.23 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.764 1.226 . . . . 0.0 109.574 172.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.36 139.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.242 1.417 . . . . 0.0 107.98 176.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -132.33 125.81 31.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.131 0.572 . . . . 0.0 109.466 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.32 100.42 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 mt -75.29 -31.96 60.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.124 0.57 . . . . 0.0 110.689 -169.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.16 -172.33 42.17 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 122.16 -0.067 . . . . 0.0 113.259 172.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -117.55 160.17 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.806 0.842 . . . . 0.0 110.446 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -144.24 78.4 1.58 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.661 0.784 . . . . 0.0 109.075 169.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.96 -114.76 3.89 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -174.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . 0.51 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -94.08 -5.85 46.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.33 0.652 . . . . 0.0 110.266 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -73.26 153.04 40.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.8 0.81 . . . . 0.0 111.726 169.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.1 118.67 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 126.33 1.852 . . . . 0.0 106.514 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -93.1 114.42 26.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -122.17 123.93 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.222 0.609 . . . . 0.0 110.241 -168.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.74 133.35 11.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.91 139.31 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -135.28 89.92 2.57 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.92 154.52 49.64 Favored Pre-proline 0 N--CA 1.45 -0.44 0 C-N-CA 124.725 1.21 . . . . 0.0 108.4 171.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -55.53 143.1 79.71 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 121.318 1.345 . . . . 0.0 109.535 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -65.93 -7.59 17.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.381 0.672 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.98 -22.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.135 1.774 . . . . 0.0 112.773 169.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.77 160.05 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 124.091 0.956 . . . . 0.0 110.57 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.11 157.04 16.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.09 124.4 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.92 0.888 . . . . 0.0 109.66 168.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -150.02 163.56 37.82 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.956 0.902 . . . . 0.0 111.13 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -65.87 158.14 28.69 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.852 -0.53 . . . . 0.0 110.042 168.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.52 -24.56 67.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.567 0.747 . . . . 0.0 112.186 -177.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.78 -51.14 61.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.523 -0.736 . . . . 0.0 111.022 169.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -69.1 -35.07 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.274 1.03 . . . . 0.0 109.855 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.13 -45.67 86.92 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.785 -0.572 . . . . 0.0 111.022 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.59 -24.75 65.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.123 0.569 . . . . 0.0 112.458 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -45.21 83.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.191 0.996 . . . . 0.0 109.659 172.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 N--CA 1.451 -0.41 0 C-N-CA 124.461 1.104 . . . . 0.0 110.91 -173.09 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 tt -107.63 134.24 50.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 110.1 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.97 139.01 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.504 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 mt -136.24 165.02 26.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.805 1.642 . . . . 0.0 110.499 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -129.41 101.34 5.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 167.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.95 132.7 50.86 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.315 1.046 . . . . 0.0 111.396 -172.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -79.64 155.38 28.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.478 0.711 . . . . 0.0 111.15 171.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -60.03 139.28 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.6 -3.78 86.15 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-O 119.004 -0.887 . . . . 0.0 113.967 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.86 176.69 6.03 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.967 1.384 . . . . 0.0 111.758 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -135.28 157.94 45.64 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -168.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -136.84 157.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 126.648 1.979 . . . . 0.0 107.956 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -137.07 150.01 47.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.281 -0.887 . . . . 0.0 112.939 -173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.6 138.98 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.802 1.241 . . . . 0.0 109.173 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 -134.96 49.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -127.21 10.07 6.81 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.114 0.965 . . . . 0.0 111.706 170.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.12 -5.84 2.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -119.48 134.26 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.737 0.699 . . . . 0.0 110.557 -174.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -123.49 141.89 51.55 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.216 1.006 . . . . 0.0 109.923 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.98 137.58 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.204 1.402 . . . . 0.0 107.992 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -130.91 128.03 39.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -83.78 101.35 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 170.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.13 -33.1 69.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.855 0.462 . . . . 0.0 110.457 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.74 -167.31 38.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -145.92 136.1 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.302 1.041 . . . . 0.0 112.082 -166.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -150.14 127.57 11.47 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.93 0.892 . . . . 0.0 110.62 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.6 42.7 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -90.25 -13.42 35.43 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.025 0.53 . . . . 0.0 111.45 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -80.7 144.62 32.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.762 1.225 . . . . 0.0 111.575 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -138.44 116.73 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -170.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -80.48 113.62 18.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.21 130.64 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 110.2 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.76 15.71 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 124.472 1.034 . . . . 0.0 111.488 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.69 126.99 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.632 1.173 . . . . 0.0 108.919 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -128.44 98.99 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.43 72.56 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.553 1.141 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.99 158.94 36.19 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.838 2.358 . . . . 0.0 112.084 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -68.57 -0.87 5.63 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 123.569 0.748 . . . . 0.0 112.584 169.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.98 -24.5 67.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.845 1.258 . . . . 0.0 111.59 169.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.74 153.93 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.267 1.027 . . . . 0.0 110.451 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.9 154.6 20.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.325 172.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.1 127.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.705 0.402 . . . . 0.0 110.503 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -150.59 165.46 33.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.284 1.034 . . . . 0.0 110.131 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ptt85 -77.95 161.99 27.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.806 -0.559 . . . . 0.0 109.617 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.44 -26.84 61.8 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.53 -47.29 82.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.121 0.968 . . . . 0.0 111.54 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.49 -34.31 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 123.184 0.594 . . . . 0.0 109.909 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -50.34 -35.87 29.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.921 0.888 . . . . 0.0 112.795 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -60.47 -21.93 62.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.172 0.989 . . . . 0.0 112.759 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -73.14 -49.37 28.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.3 -23.03 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.07 1.348 . . . . 0.0 110.823 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 169.887 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.753 -0.091 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.04 148.44 25.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.075 0.55 . . . . 0.0 111.51 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.31 138.22 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.596 0.758 . . . . 0.0 109.831 172.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -133.2 161.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.967 1.307 . . . . 0.0 110.428 177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 101.01 7.42 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.7 131.45 53.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.16 1.384 . . . . 0.0 110.134 -174.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -99.15 166.01 11.44 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.683 1.128 . . . . 0.0 112.969 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 m -52.41 139.31 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -7.68 79.55 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.21 0.91 . . . . 0.0 113.882 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -91.79 165.75 13.11 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.578 1.189 . . . . 0.0 111.688 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -128.35 155.26 44.95 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -136.43 159.44 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.951 2.1 . . . . 0.0 107.661 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.38 148.98 46.62 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.495 -0.753 . . . . 0.0 112.558 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 mt -136.19 140.82 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.621 1.168 . . . . 0.0 109.093 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.68 -139.04 48.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.69 10.14 11.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.998 0.919 . . . . 0.0 111.851 170.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.94 -16.91 1.43 Allowed 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.55 137.1 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 119.072 0.851 . . . . 0.0 110.643 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -124.15 141.3 52.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.072 0.949 . . . . 0.0 110.202 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.32 137.72 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.321 1.448 . . . . 0.0 108.025 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -136.16 130.07 32.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.862 0.465 . . . . 0.0 109.932 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.64 112.73 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -84.43 -27.65 27.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.032 0.533 . . . . 0.0 111.305 -172.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.66 -177.01 36.35 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 122.909 0.29 . . . . 0.0 113.626 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -135.05 136.07 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 124.299 1.04 . . . . 0.0 111.854 -169.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -140.91 89.98 2.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.038 1.335 . . . . 0.0 109.623 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.39 -130.45 40.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.85 -20.19 60.5 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.106 0.562 . . . . 0.0 111.838 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -87.73 129.08 35.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.762 0.825 . . . . 0.0 110.322 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.0 123.05 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -87.89 127.18 35.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.87 142.0 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.586 0.755 . . . . 0.0 110.408 -168.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.85 142.17 14.44 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 123.968 0.794 . . . . 0.0 111.646 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.01 138.87 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.605 1.162 . . . . 0.0 109.614 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -131.84 106.82 8.33 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.013 0.925 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.82 157.86 76.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 124.186 0.994 . . . . 0.0 111.306 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.72 162.07 33.19 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 122.982 2.455 . . . . 0.0 112.172 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -71.71 -4.25 26.42 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.428 0.691 . . . . 0.0 112.529 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.76 -20.64 64.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.677 1.191 . . . . 0.0 112.361 171.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -127.07 163.93 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.949 0.9 . . . . 0.0 111.025 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.82 161.02 13.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.36 0.664 . . . . 0.0 111.23 171.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.03 126.19 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.413 0.685 . . . . 0.0 110.258 170.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -152.67 175.2 13.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.313 1.045 . . . . 0.0 110.028 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.97 162.91 26.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.776 -0.578 . . . . 0.0 109.843 168.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.5 -29.87 69.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.888 0.475 . . . . 0.0 112.176 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.72 -45.27 77.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.107 0.963 . . . . 0.0 111.709 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.04 -31.56 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.664 0.786 . . . . 0.0 110.249 -170.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -49.81 -35.67 23.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.392 1.077 . . . . 0.0 112.747 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -59.64 -22.0 61.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.132 0.973 . . . . 0.0 112.617 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.48 -49.03 28.84 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.133 0.573 . . . . 0.0 109.476 174.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 125.242 1.417 . . . . 0.0 110.732 -177.449 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 ttp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.7 113.02 24.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.544 0.737 . . . . 0.0 109.783 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.06 134.97 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.572 0.749 . . . . 0.0 109.269 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -131.86 166.75 20.9 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.212 1.005 . . . . 0.0 109.724 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -126.98 132.95 50.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.774 0.83 . . . . 0.0 108.804 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -125.9 170.46 11.64 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.744 0.817 . . . . 0.0 109.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -132.18 158.11 42.56 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.3 t -46.45 123.96 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 120.623 0.249 . . . . 0.0 111.037 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.26 -4.82 58.76 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.567 1.08 . . . . 0.0 114.388 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -96.0 172.39 8.03 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.764 1.282 . . . . 0.0 112.284 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -141.2 160.49 39.99 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -168.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.9 mm -132.96 155.34 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 126.839 2.055 . . . . 0.0 108.12 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -129.24 144.21 51.14 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.407 1.083 . . . . 0.0 111.015 -177.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -135.84 127.82 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.769 0.828 . . . . 0.0 109.548 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.96 -131.24 48.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -173.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.42 4.99 5.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.888 0.875 . . . . 0.0 112.723 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -121.37 -17.67 7.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.35 135.83 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 119.071 0.85 . . . . 0.0 110.856 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -131.28 143.17 50.35 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.437 1.095 . . . . 0.0 109.945 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -122.08 143.92 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.166 1.386 . . . . 0.0 108.729 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -139.21 132.95 30.68 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.504 0.722 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -84.56 98.88 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.45 -28.89 63.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.075 -0.39 . . . . 0.0 110.167 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.61 -178.06 46.52 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 123.476 0.56 . . . . 0.0 113.259 169.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.22 146.94 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.801 0.84 . . . . 0.0 110.912 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.9 m -138.02 63.45 1.54 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.776 1.23 . . . . 0.0 110.294 -169.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -121.49 8.09 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.27 -5.67 54.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.097 0.559 . . . . 0.0 111.787 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.99 157.67 16.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.665 0.745 . . . . 0.0 111.995 170.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.22 128.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.903 1.681 . . . . 0.0 108.959 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -109.44 101.95 10.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.362 0.665 . . . . 0.0 110.705 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -116.02 136.34 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.445 1.098 . . . . 0.0 110.474 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.25 143.3 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.306 0.955 . . . . 0.0 111.831 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.31 138.43 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.637 1.575 . . . . 0.0 108.308 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -127.22 75.03 1.55 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.593 1.157 . . . . 0.0 109.161 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.27 154.39 42.91 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.417 1.487 . . . . 0.0 110.582 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.46 155.49 55.18 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.529 2.153 . . . . 0.0 110.677 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -68.54 -2.56 9.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.92 -30.65 71.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.914 0.886 . . . . 0.0 111.26 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -119.99 144.01 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 122.025 0.916 . . . . 0.0 111.74 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.09 143.02 37.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.327 1.051 . . . . 0.0 111.51 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.38 116.33 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 C-N-CA 123.344 0.657 . . . . 0.0 109.381 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -150.91 156.87 42.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -78.32 152.8 32.2 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.659 0.784 . . . . 0.0 112.074 173.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.85 -27.3 67.42 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.981 0.513 . . . . 0.0 112.124 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -68.12 -13.08 61.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.85 0.86 . . . . 0.0 112.574 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.46 -23.3 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.969 1.308 . . . . 0.0 111.048 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.39 -31.0 71.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.4 -0.812 . . . . 0.0 110.252 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -73.55 -12.05 60.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.811 0.844 . . . . 0.0 111.832 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.57 -33.74 31.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.483 1.113 . . . . 0.0 110.793 169.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.4 mt -65.46 -51.96 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.355 1.062 . . . . 0.0 109.007 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 C-N-CA 123.562 0.745 . . . . 0.0 112.053 -174.761 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 119.397 -0.335 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -110.92 120.2 41.59 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.983 1.313 . . . . 0.0 107.801 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -117.45 140.08 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -165.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -132.74 135.4 45.72 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.576 1.15 . . . . 0.0 110.898 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -105.22 104.39 14.11 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 27.9 mtm-85 -112.63 173.14 6.52 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.829 1.252 . . . . 0.0 110.065 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -114.7 166.96 11.18 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 118.182 0.446 . . . . 0.0 111.866 169.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.57 132.65 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.456 0.646 . . . . 0.0 111.178 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -1.35 71.35 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 114.609 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -76.68 159.74 29.96 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.251 1.525 . . . . 0.0 112.305 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -134.91 141.21 46.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.656 1.183 . . . . 0.0 110.548 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.2 mm -132.56 151.31 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 125.951 1.7 . . . . 0.0 109.153 -172.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -126.95 143.06 51.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.283 1.033 . . . . 0.0 111.015 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -132.51 131.28 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.001 0.921 . . . . 0.0 109.631 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -133.78 52.6 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.08 5.03 5.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.801 . . . . 0.0 112.784 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -113.04 -19.29 11.94 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.98 136.95 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.015 0.825 . . . . 0.0 111.755 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -131.66 149.84 52.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.87 1.268 . . . . 0.0 109.766 169.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -132.0 144.64 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 126.124 1.77 . . . . 0.0 108.345 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -137.92 130.45 29.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.064 0.546 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.78 103.39 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -73.68 -32.41 63.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.126 -0.359 . . . . 0.0 110.649 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.25 176.66 35.48 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 172.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.03 146.23 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 75.8 m -120.18 75.28 1.09 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 169.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.62 -118.41 4.74 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.64 -174.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.17 8.29 43.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.323 0.649 . . . . 0.0 111.045 173.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.99 160.16 14.46 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.147 0.979 . . . . 0.0 110.334 170.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -142.92 115.0 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.34 1.056 . . . . 0.0 109.421 -168.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.15 120.72 32.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.267 1.427 . . . . 0.0 109.635 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.4 130.01 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.215 1.006 . . . . 0.0 110.258 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.44 141.56 15.63 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -126.59 132.15 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.756 0.823 . . . . 0.0 109.201 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.85 74.9 1.6 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.327 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.8 48.93 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.22 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -57.0 153.49 37.96 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 121.744 1.629 . . . . 0.0 110.882 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -68.19 -0.81 5.04 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.271 0.628 . . . . 0.0 112.14 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.86 -27.31 68.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.929 1.691 . . . . 0.0 112.428 170.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.32 144.11 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.315 1.046 . . . . 0.0 110.567 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.547 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -84.92 141.55 30.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.589 0.709 . . . . 0.0 112.055 170.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -145.81 101.77 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.294 -166.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.547 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.1 OUTLIER -147.98 166.86 26.43 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.605 0.762 . . . . 0.0 111.155 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 13.8 ptt180 -70.52 159.92 33.41 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.555 0.742 . . . . 0.0 112.015 169.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -53.39 -45.22 69.21 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 123.667 0.787 . . . . 0.0 112.433 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -69.15 -3.33 13.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mm -107.29 -49.07 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.417 1.087 . . . . 0.0 110.434 170.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -46.04 -43.6 14.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.609 1.164 . . . . 0.0 111.037 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.14 -15.46 59.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.071 1.349 . . . . 0.0 113.967 -169.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -91.15 -31.65 16.13 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.877 0.762 . . . . 0.0 111.755 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.78 -62.09 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.467 1.107 . . . . 0.0 112.911 -166.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.81 0.48 2.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.774 -0.579 . . . . 0.0 112.543 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.72 -18.83 62.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.384 0.674 . . . . 0.0 111.855 169.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.39 31.9 0.09 OUTLIER Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.132 -0.815 . . . . 0.0 114.931 168.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -168.45 -173.02 1.84 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.494 1.147 . . . . 0.0 112.705 -167.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p -134.67 -168.41 2.15 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.923 1.289 . . . . 0.0 109.965 169.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.27 120.91 1.98 Allowed Pre-proline 0 N--CA 1.454 -0.269 0 C-N-CA 124.234 1.014 . . . . 0.0 111.082 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -62.96 161.53 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 121.786 1.657 . . . . 0.0 114.498 -168.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 125.788 1.635 . . . . 0.0 113.352 -175.571 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.794 -0.622 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.76 109.88 20.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.157 0.983 . . . . 0.0 108.394 169.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.49 136.2 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.733 0.813 . . . . 0.0 109.797 176.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.72 134.95 47.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.161 0.984 . . . . 0.0 109.912 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.3 p -85.9 144.13 27.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -145.68 140.17 27.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.544 0.338 . . . . 0.0 110.381 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -109.52 148.88 30.46 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -53.09 135.54 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.52 -8.2 77.16 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.563 1.554 . . . . 0.0 114.351 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -85.52 -177.77 6.51 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.304 1.552 . . . . 0.0 112.457 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -148.39 160.49 42.97 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -167.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.4 156.18 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 127.413 2.285 . . . . 0.0 108.922 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -126.52 146.66 50.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.047 1.339 . . . . 0.0 111.215 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -133.17 133.81 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.288 1.035 . . . . 0.0 108.908 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -135.02 50.3 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -169.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.65 10.06 6.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.886 0.874 . . . . 0.0 112.255 169.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -117.6 -14.87 10.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.022 0.929 . . . . 0.0 113.179 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.44 135.29 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.904 0.774 . . . . 0.0 110.698 -172.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -132.71 146.3 51.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.227 1.411 . . . . 0.0 108.776 174.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.14 140.59 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.356 0.663 . . . . 0.0 109.474 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -124.91 135.65 53.05 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.145 0.978 . . . . 0.0 110.638 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.86 109.16 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 168.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -85.46 -35.45 21.22 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.868 -0.52 . . . . 0.0 109.733 -172.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.32 -173.12 44.78 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.979 -0.153 . . . . 0.0 112.906 168.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.85 158.39 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.061 0.544 . . . . 0.0 110.765 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -138.79 67.8 1.39 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.053 1.341 . . . . 0.0 108.529 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.03 -110.36 3.02 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.2 -9.64 32.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.191 0.996 . . . . 0.0 112.103 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.3 158.08 34.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.868 0.842 . . . . 0.0 111.882 169.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.97 114.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -79.4 112.38 16.58 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 mt -115.83 133.38 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.917 1.287 . . . . 0.0 109.255 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 126.64 7.97 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 123.611 0.624 . . . . 0.0 111.759 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -107.87 123.82 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.36 1.064 . . . . 0.0 108.73 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -115.37 97.15 6.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.982 0.913 . . . . 0.0 109.972 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.8 154.79 80.66 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.009 0.924 . . . . 0.0 110.029 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.31 155.13 48.08 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.882 2.388 . . . . 0.0 111.298 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.59 -0.94 9.62 Favored 'General case' 0 CA--C 1.527 0.063 0 O-C-N 121.986 -0.446 . . . . 0.0 111.553 175.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.86 -23.72 66.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.867 1.267 . . . . 0.0 111.689 171.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.56 147.46 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.913 0.885 . . . . 0.0 110.559 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.96 153.9 21.86 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.607 0.363 . . . . 0.0 111.281 175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -135.48 138.75 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.996 0.518 . . . . 0.0 109.793 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -155.49 156.37 35.11 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.758 0.823 . . . . 0.0 110.594 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -67.02 156.0 37.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 166.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.68 -29.99 71.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.94 0.791 . . . . 0.0 111.285 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.79 -24.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.518 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.25 -36.68 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.544 0.738 . . . . 0.0 110.617 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -53.88 -35.45 61.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.555 1.142 . . . . 0.0 112.073 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.14 -24.41 67.15 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.322 0.649 . . . . 0.0 112.612 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -71.3 -39.77 71.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.251 0.62 . . . . 0.0 111.793 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.357 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -109.97 107.08 16.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.102 0.961 . . . . 0.0 109.769 174.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.21 142.36 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.922 1.289 . . . . 0.0 110.161 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.81 164.94 28.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.312 1.445 . . . . 0.0 111.612 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -117.78 116.84 27.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -119.38 142.56 48.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 169.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -92.7 163.99 13.55 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.919 0.137 . . . . 0.0 110.934 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -49.67 139.18 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.44 -3.03 85.3 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.208 0.909 . . . . 0.0 114.125 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -91.77 173.41 7.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.676 1.238 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -139.08 164.49 29.64 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.748 0.819 . . . . 0.0 112.768 -173.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mt -153.24 163.2 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.554 2.341 . . . . 0.0 108.215 -169.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -141.09 150.3 42.72 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.516 1.126 . . . . 0.0 112.237 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -136.81 136.83 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.07 1.348 . . . . 0.0 108.958 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.85 -135.79 51.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -123.46 3.79 9.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.81 0.844 . . . . 0.0 112.243 174.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.06 -4.95 3.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.77 136.33 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.762 0.71 . . . . 0.0 110.639 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -131.27 145.99 52.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.77 1.228 . . . . 0.0 109.719 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -128.46 144.79 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 125.021 1.328 . . . . 0.0 108.438 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -137.13 130.97 31.97 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.861 0.864 . . . . 0.0 109.166 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -86.56 108.87 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.7 mt -81.95 -31.55 31.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.283 0.633 . . . . 0.0 110.774 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.79 -178.86 44.62 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 121.03 0.239 . . . . 0.0 113.116 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.31 137.15 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.536 1.135 . . . . 0.0 109.764 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -138.31 75.73 1.54 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.014 1.326 . . . . 0.0 109.991 -169.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.95 -119.83 5.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.83 -16.47 53.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.373 1.069 . . . . 0.0 110.489 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.9 158.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 122.298 1.047 . . . . 0.0 112.561 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -137.65 120.96 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.207 1.803 . . . . 0.0 106.878 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -94.95 113.04 24.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.857 0.863 . . . . 0.0 108.787 -176.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.63 126.43 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.539 0.736 . . . . 0.0 110.711 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.12 140.6 15.15 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.039 0.828 . . . . 0.0 111.16 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -129.28 142.21 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.927 0.891 . . . . 0.0 108.703 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -138.06 105.93 5.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.295 0.638 . . . . 0.0 109.296 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.06 155.23 74.56 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 124.187 0.995 . . . . 0.0 109.344 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -60.64 151.51 75.47 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.133 1.888 . . . . 0.0 110.514 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.42 -0.92 2.11 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 169.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.86 -19.94 66.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.971 1.308 . . . . 0.0 111.3 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -131.12 157.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.582 1.153 . . . . 0.0 110.508 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.38 156.99 16.46 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.964 0.506 . . . . 0.0 111.942 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.41 128.88 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 122.876 0.47 . . . . 0.0 110.499 169.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -153.47 167.26 30.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.445 0.698 . . . . 0.0 112.087 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -66.37 161.28 22.88 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.896 0.479 . . . . 0.0 109.967 168.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.63 -39.04 92.56 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.784 -0.573 . . . . 0.0 112.183 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -54.09 -45.57 71.84 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.556 0.743 . . . . 0.0 111.266 171.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -79.92 -40.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 124.276 1.03 . . . . 0.0 110.86 -169.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -49.24 -36.19 19.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.023 1.329 . . . . 0.0 111.988 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -63.86 -22.24 66.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.268 1.027 . . . . 0.0 113.015 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -83.3 -31.94 26.6 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.709 1.14 . . . . 0.0 110.752 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 2.8 mp . . . . . 0 N--CA 1.455 -0.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.273 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 tt -127.49 122.87 34.57 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.053 0.941 . . . . 0.0 109.54 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mm -106.68 138.36 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.304 1.042 . . . . 0.0 109.841 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt -137.46 165.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.91 1.284 . . . . 0.0 111.567 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.1 105.99 7.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 166.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.38 126.72 55.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.562 1.545 . . . . 0.0 109.722 -171.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -91.47 165.77 13.2 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 119.741 1.155 . . . . 0.0 112.387 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.95 138.99 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -3.21 87.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.889 0.757 . . . . 0.0 114.097 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -92.39 172.65 8.25 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.6 1.2 . . . . 0.0 111.334 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.3 m -139.94 165.67 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -169.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -149.99 156.94 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.369 2.268 . . . . 0.0 107.964 -169.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -137.9 152.33 48.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.465 -0.772 . . . . 0.0 113.076 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.23 142.26 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.775 1.23 . . . . 0.0 108.878 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.36 -137.83 49.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 -176.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -125.58 10.01 7.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.75 0.82 . . . . 0.0 111.657 172.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.57 -4.97 2.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.53 137.12 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 118.981 0.81 . . . . 0.0 110.848 -173.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -129.11 144.38 51.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.678 1.191 . . . . 0.0 109.945 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -127.91 138.54 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.122 1.369 . . . . 0.0 108.327 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m -134.15 130.55 37.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.185 0.594 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.32 103.26 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.35 -30.01 64.32 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.024 -0.423 . . . . 0.0 111.22 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -172.6 34.89 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.181 0.419 . . . . 0.0 113.639 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.83 156.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.801 0.84 . . . . 0.0 112.0 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -143.27 89.92 2.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.126 1.37 . . . . 0.0 108.88 169.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.43 -111.95 4.59 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.587 -0.695 . . . . 0.0 111.531 -173.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -91.28 -21.06 21.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.611 0.705 . . . . 0.0 111.806 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.35 146.94 48.49 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -136.76 117.39 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -87.63 126.59 35.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.64 133.36 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.379 0.672 . . . . 0.0 110.549 -168.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.57 139.26 14.35 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.436 1.017 . . . . 0.0 111.111 171.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.1 mt -133.23 127.85 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.853 1.261 . . . . 0.0 108.736 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -131.23 98.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.96 154.16 81.94 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.895 1.278 . . . . 0.0 109.515 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -57.05 151.59 49.3 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 121.943 1.762 . . . . 0.0 111.528 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -66.98 -5.26 12.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.078 0.951 . . . . 0.0 111.922 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.81 -28.25 68.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.573 1.949 . . . . 0.0 112.769 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -113.57 163.58 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.894 0.878 . . . . 0.0 110.627 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.36 153.91 17.45 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.99 126.47 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.305 0.642 . . . . 0.0 110.486 169.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -151.77 169.19 22.83 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.494 1.118 . . . . 0.0 109.684 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -80.03 165.66 22.33 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.604 -0.685 . . . . 0.0 110.342 169.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.46 -28.39 68.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.927 0.491 . . . . 0.0 112.153 -170.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.2 -44.32 95.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.241 1.016 . . . . 0.0 112.355 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -88.12 -28.38 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.66 0.784 . . . . 0.0 110.02 -170.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -53.43 -35.61 60.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.888 0.875 . . . . 0.0 112.154 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.66 -21.8 63.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.81 -26.13 65.02 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.797 0.726 . . . . 0.0 110.599 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -90.6 -39.68 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.48 1.112 . . . . 0.0 109.925 -173.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 177.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.08 146.89 25.09 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.149 0.58 . . . . 0.0 110.953 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.8 135.67 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.467 0.707 . . . . 0.0 109.25 171.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.48 164.84 23.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.979 1.312 . . . . 0.0 110.619 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 101.88 5.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 168.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.04 140.92 48.66 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.409 1.084 . . . . 0.0 111.033 -177.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -92.55 172.84 8.11 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -60.66 139.49 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.315 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.93 -2.14 87.78 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 123.97 0.795 . . . . 0.0 113.868 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -88.29 173.19 8.91 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.585 1.193 . . . . 0.0 112.112 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -137.41 153.99 50.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.782 0.833 . . . . 0.0 112.144 -173.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mt -140.87 151.18 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 125.687 1.595 . . . . 0.0 108.609 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -125.86 147.1 49.55 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.781 0.832 . . . . 0.0 111.576 -173.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -134.75 137.46 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.414 1.086 . . . . 0.0 109.187 173.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.57 -135.0 52.14 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -173.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -128.71 10.07 6.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.063 0.945 . . . . 0.0 112.34 171.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.12 -15.78 4.66 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.78 133.73 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.07 0.85 . . . . 0.0 110.525 -172.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -128.76 142.63 50.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.017 0.927 . . . . 0.0 110.5 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.1 mm -121.46 140.34 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.32 1.448 . . . . 0.0 108.615 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.61 131.83 40.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.591 0.756 . . . . 0.0 109.844 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -89.95 114.77 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.07 -27.75 24.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.032 0.533 . . . . 0.0 111.111 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 -171.95 34.42 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 113.898 0.319 . . . . 0.0 113.898 170.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -124.52 159.65 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.623 0.769 . . . . 0.0 112.221 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.51 90.06 1.69 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.916 1.286 . . . . 0.0 109.074 169.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.27 -111.72 3.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -174.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -91.14 -21.82 20.99 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.454 0.627 . . . . 0.0 111.722 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -73.36 142.36 47.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.164 0.586 . . . . 0.0 110.099 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.33 114.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -85.71 126.16 33.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.31 143.42 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.066 0.947 . . . . 0.0 110.183 -168.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.41 140.6 15.88 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 124.149 0.881 . . . . 0.0 111.527 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.48 135.7 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.603 1.161 . . . . 0.0 109.351 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -132.91 106.35 7.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.642 0.777 . . . . 0.0 109.744 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 158.68 75.07 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 123.993 0.917 . . . . 0.0 111.364 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -64.4 162.03 32.24 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.04 2.493 . . . . 0.0 112.329 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.74 -4.54 12.64 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 169.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -65.8 -23.01 66.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.356 1.463 . . . . 0.0 112.328 173.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -127.68 163.62 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.226 1.01 . . . . 0.0 111.305 -174.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.58 163.42 13.39 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.311 0.644 . . . . 0.0 111.262 169.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.08 130.11 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.45 0.7 . . . . 0.0 110.216 171.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -153.13 170.77 19.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.15 0.98 . . . . 0.0 110.083 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -76.14 158.56 31.61 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 167.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.94 -22.48 67.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.843 -0.536 . . . . 0.0 112.213 -169.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -55.82 -41.57 74.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.799 0.839 . . . . 0.0 111.853 171.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.95 -34.03 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.811 0.845 . . . . 0.0 110.233 -171.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.97 -35.86 47.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.022 0.929 . . . . 0.0 112.56 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -59.34 -21.91 60.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.136 0.975 . . . . 0.0 112.877 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.77 -39.96 66.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.586 0.63 . . . . 0.0 109.787 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp . . . . . 0 N--CA 1.453 -0.295 0 C-N-CA 124.32 1.048 . . . . 0.0 110.207 -177.343 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.167 -0.444 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.74 116.09 31.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.722 0.809 . . . . 0.0 109.587 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.43 133.91 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.838 0.855 . . . . 0.0 109.779 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -135.07 155.56 50.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.738 1.215 . . . . 0.0 110.427 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 m -128.03 114.98 17.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.337 1.055 . . . . 0.0 110.366 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -138.41 149.12 45.2 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-N 119.116 0.871 . . . . 0.0 111.667 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.09 161.05 15.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.768 0.427 . . . . 0.0 111.363 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -40.11 128.5 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.241 1.016 . . . . 0.0 111.276 170.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.5 -9.25 71.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.348 0.975 . . . . 0.0 114.136 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -89.86 173.93 7.97 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.576 1.188 . . . . 0.0 111.858 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 156.0 41.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -170.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.432 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.2 mm -121.43 155.59 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 126.643 1.977 . . . . 0.0 109.7 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -125.45 140.35 52.86 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.488 1.115 . . . . 0.0 110.845 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -134.0 132.77 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.89 -128.64 26.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -128.14 -1.37 5.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.917 0.887 . . . . 0.0 112.281 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.21 -17.51 1.82 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.5 mt -106.1 137.51 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.415 0.686 . . . . 0.0 110.363 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -136.16 145.22 45.54 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.579 0.752 . . . . 0.0 109.566 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.4 mm -127.29 139.3 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.483 1.113 . . . . 0.0 108.509 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -134.61 133.43 40.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.247 0.619 . . . . 0.0 110.052 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -84.55 95.91 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -25.09 62.61 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.774 -0.579 . . . . 0.0 110.43 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.65 -167.95 40.92 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 118.145 0.429 . . . . 0.0 113.847 169.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -130.51 164.88 32.27 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 124.147 0.979 . . . . 0.0 111.505 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -147.36 74.41 1.33 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.225 1.01 . . . . 0.0 110.02 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.48 -126.1 12.47 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -84.68 9.07 14.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.319 0.559 . . . . 0.0 112.099 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -100.84 157.58 16.62 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.817 0.817 . . . . 0.0 111.279 167.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -137.8 126.78 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 125.76 1.624 . . . . 0.0 108.396 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -103.21 101.87 11.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.692 0.797 . . . . 0.0 110.231 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -108.42 129.07 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.932 1.293 . . . . 0.0 109.267 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.15 141.31 15.3 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 123.955 0.788 . . . . 0.0 111.346 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -117.11 132.23 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 125.128 1.371 . . . . 0.0 108.317 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -122.04 74.94 1.18 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.527 1.131 . . . . 0.0 109.409 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.84 153.71 42.93 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.049 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -72.73 155.76 53.75 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.649 2.233 . . . . 0.0 110.339 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -69.36 -1.09 7.4 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.91 -31.07 71.79 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.813 0.845 . . . . 0.0 111.247 168.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.72 144.03 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 123.824 0.85 . . . . 0.0 111.561 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.02 143.04 31.84 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.837 0.855 . . . . 0.0 110.97 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.31 123.79 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.227 0.611 . . . . 0.0 110.268 171.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -153.42 158.91 42.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.775 0.43 . . . . 0.0 111.761 -171.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -74.62 164.62 26.37 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.991 0.516 . . . . 0.0 110.373 167.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.79 -32.21 63.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.761 -0.587 . . . . 0.0 112.213 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -72.85 -1.34 16.37 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.355 -0.841 . . . . 0.0 113.09 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -121.83 -28.9 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.14 0.976 . . . . 0.0 111.069 175.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.26 -32.42 71.14 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.5 1.045 . . . . 0.0 110.667 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -76.77 -18.3 58.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.528 0.731 . . . . 0.0 112.094 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -78.84 -35.91 43.29 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.574 0.75 . . . . 0.0 110.99 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.28 -49.76 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 109.358 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 . . . . . 0 N--CA 1.452 -0.369 0 C-N-CA 123.752 0.821 . . . . 0.0 112.955 -176.575 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.9 tpp . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 119.629 -0.224 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.18 120.88 41.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 168.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 56.3 mt -118.68 140.88 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.591 . . . . 0.0 111.987 -165.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.14 145.11 47.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.044 1.337 . . . . 0.0 110.748 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -121.08 100.97 7.37 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -125.57 162.7 24.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.014 0.926 . . . . 0.0 110.748 -170.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -94.08 168.59 10.85 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -61.12 136.73 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.27 0.557 . . . . 0.0 111.164 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.54 -2.01 79.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 119.192 -0.782 . . . . 0.0 114.174 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.36 154.78 22.67 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.752 1.276 . . . . 0.0 111.8 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -124.54 153.31 42.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.573 0.749 . . . . 0.0 111.841 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -136.53 155.54 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 127.687 2.395 . . . . 0.0 107.687 -169.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -132.92 146.14 51.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.022 0.929 . . . . 0.0 111.167 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.94 154.23 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.463 1.105 . . . . 0.0 108.613 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.33 48.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 172.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.42 5.14 8.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.781 1.233 . . . . 0.0 109.809 166.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -125.91 3.05 7.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.184 1.794 . . . . 0.0 112.666 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.44 140.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -165.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 62.8 m -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.903 1.281 . . . . 0.0 108.016 167.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt -135.93 138.35 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.835 0.854 . . . . 0.0 109.006 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -129.55 131.36 46.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.898 0.479 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -76.47 101.38 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.69 -32.15 69.28 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.037 -0.415 . . . . 0.0 110.657 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.18 -178.24 37.2 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 116.829 -0.169 . . . . 0.0 112.832 172.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.67 154.13 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.263 0.554 . . . . 0.0 110.667 176.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -127.91 77.67 1.77 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.034 1.334 . . . . 0.0 108.405 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.96 -116.4 4.58 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.19 10.03 39.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.219 -0.577 . . . . 0.0 111.584 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -99.01 152.3 19.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.697 1.199 . . . . 0.0 109.398 170.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.02 119.29 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.006 0.523 . . . . 0.0 110.108 -167.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.49 119.21 30.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.649 1.58 . . . . 0.0 109.683 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.05 132.76 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.151 0.981 . . . . 0.0 109.683 -170.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.95 129.03 9.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 35.3 mt -117.08 128.74 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.199 1.0 . . . . 0.0 108.898 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -133.03 74.85 1.59 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.797 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.63 158.57 33.65 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 126.293 1.837 . . . . 0.0 107.243 168.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' B' ' 39' ' ' ASP . 14.5 Cg_endo -59.23 155.96 37.52 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 121.413 1.408 . . . . 0.0 109.429 168.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -0.84 6.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.868 0.867 . . . . 0.0 111.243 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' B' ' 37' ' ' PRO . 3.3 t70 -65.83 -23.57 66.71 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.448 1.899 . . . . 0.0 111.579 172.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.73 144.08 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.851 1.26 . . . . 0.0 110.116 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.429 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -83.32 141.95 31.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.404 0.621 . . . . 0.0 111.912 171.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 t -144.99 99.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.407 1.083 . . . . 0.0 109.108 -166.784 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.429 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.4 OUTLIER -145.68 163.04 36.14 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 123.917 0.887 . . . . 0.0 111.314 178.276 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 30.5 ptt-85 -65.65 154.72 38.04 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.467 0.307 . . . . 0.0 111.001 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -55.08 -35.41 64.53 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 123.373 0.669 . . . . 0.0 112.339 -176.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.56 -52.44 38.91 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.529 0.604 . . . . 0.0 111.14 173.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mm -70.23 -44.6 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.477 1.111 . . . . 0.0 110.734 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -50.91 -38.72 51.68 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.984 0.914 . . . . 0.0 112.043 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.5 -25.94 66.11 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -77.88 -41.77 35.59 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 119.031 0.832 . . . . 0.0 110.089 172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 99.1 mt -63.39 -39.56 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.169 0.587 . . . . 0.0 109.472 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -80.34 3.38 21.31 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.34 -17.41 52.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.274 0.63 . . . . 0.0 111.685 169.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.53 48.18 0.1 Allowed Glycine 0 C--N 1.339 0.73 0 CA-C-O 119.529 -0.595 . . . . 0.0 114.118 169.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.04 -177.27 2.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.82 0.81 . . . . 0.0 112.717 -168.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 45.3 p -127.6 -174.95 3.32 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.471 1.509 . . . . 0.0 109.332 168.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.36 122.52 4.29 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 123.733 0.813 . . . . 0.0 111.356 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -63.32 168.47 11.08 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.357 2.038 . . . . 0.0 114.689 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 125.219 1.408 . . . . 0.0 113.108 179.444 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.422 -0.323 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 111.29 18.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.655 1.182 . . . . 0.0 108.548 169.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.21 134.63 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.454 1.102 . . . . 0.0 109.669 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.3 142.39 50.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.485 1.114 . . . . 0.0 110.432 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.0 p -99.71 140.07 34.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.28 0.632 . . . . 0.0 110.73 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -138.02 140.32 40.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.314 0.646 . . . . 0.0 110.915 173.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -76.2 155.66 34.31 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 168.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.62 132.77 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 O-C-N 121.516 -0.74 . . . . 0.0 111.243 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.55 -2.76 83.13 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.42 1.009 . . . . 0.0 113.988 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -87.81 174.32 8.43 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.12 1.46 . . . . 0.0 111.85 174.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -136.5 157.35 46.99 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -167.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.26 157.13 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 127.582 2.353 . . . . 0.0 108.464 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -132.68 146.55 51.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.081 0.953 . . . . 0.0 111.753 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -135.72 135.03 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.717 1.207 . . . . 0.0 109.614 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -133.61 52.66 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -130.03 9.44 5.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.767 0.827 . . . . 0.0 112.06 168.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -122.64 -12.5 8.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.164 0.985 . . . . 0.0 113.238 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.37 132.07 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 118.821 0.737 . . . . 0.0 110.536 -172.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -129.78 142.43 50.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.019 0.928 . . . . 0.0 109.509 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -120.96 136.9 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.597 1.159 . . . . 0.0 108.611 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -128.44 121.25 28.55 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.84 114.44 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 170.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.29 -43.34 11.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.886 -0.509 . . . . 0.0 110.502 -169.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.85 178.45 48.57 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.676 -0.297 . . . . 0.0 113.397 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.52 154.42 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-O 121.311 0.577 . . . . 0.0 110.701 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.7 m -152.98 109.13 3.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.41 -141.93 28.43 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.697 -169.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.43 5.43 31.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.186 0.994 . . . . 0.0 110.842 168.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.89 143.24 26.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.066 1.746 . . . . 0.0 110.402 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.1 t -129.49 118.45 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -77.11 112.45 13.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.1 mt -118.86 129.37 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.925 1.29 . . . . 0.0 109.515 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' HE3' ' D' ' 1' ' ' MET . . . -99.82 141.77 15.63 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 125.341 1.448 . . . . 0.0 112.301 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -128.38 119.5 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.918 1.287 . . . . 0.0 108.482 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -118.31 101.13 7.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.211 0.605 . . . . 0.0 109.848 -174.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.57 156.58 52.81 Favored Pre-proline 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 110.106 -175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.48 153.97 74.28 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.948 2.432 . . . . 0.0 111.588 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -66.5 -1.04 3.15 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 171.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.88 -23.11 66.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.225 1.01 . . . . 0.0 111.3 169.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.74 146.9 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.156 0.982 . . . . 0.0 110.588 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.94 153.28 22.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.811 0.444 . . . . 0.0 111.055 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 m -136.49 131.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.791 0.437 . . . . 0.0 110.12 169.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -155.42 164.52 38.6 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.497 0.719 . . . . 0.0 111.453 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -79.58 162.16 25.5 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -60.92 -33.1 72.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.206 0.603 . . . . 0.0 111.965 -171.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.29 -44.15 79.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.967 0.907 . . . . 0.0 111.829 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 36.5 mm -91.6 -30.53 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 123.47 0.708 . . . . 0.0 110.822 -171.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -51.26 -34.85 34.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.827 0.851 . . . . 0.0 112.242 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.37 -29.2 70.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.604 0.761 . . . . 0.0 112.601 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -69.63 -34.81 74.59 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.164 0.585 . . . . 0.0 111.607 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.454 -0.247 0 O-C-N 121.978 -0.451 . . . . 0.0 109.794 177.776 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 1' ' ' MET . . . . . 0.416 ' HE3' ' HA3' ' C' ' 33' ' ' GLY . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.608 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.52 111.76 17.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.936 0.894 . . . . 0.0 109.147 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.97 133.29 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.488 1.115 . . . . 0.0 108.871 -170.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.15 160.51 34.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.818 1.247 . . . . 0.0 111.096 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -104.94 110.22 22.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 165.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.97 131.1 51.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.411 0.284 . . . . 0.0 110.758 174.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -79.59 153.44 29.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.103 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.0 m -56.02 134.84 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.2 -3.2 79.81 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.266 0.936 . . . . 0.0 114.329 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -96.44 174.08 7.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.046 1.423 . . . . 0.0 112.063 177.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -133.53 159.02 41.66 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.584 0.753 . . . . 0.0 112.804 -171.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.59 157.75 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 127.157 2.183 . . . . 0.0 108.725 -175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -132.46 144.8 50.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.381 1.072 . . . . 0.0 111.043 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -133.8 132.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.74 1.216 . . . . 0.0 109.07 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -132.99 52.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -172.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -129.97 8.56 5.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.194 0.598 . . . . 0.0 112.354 170.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -125.96 -9.6 6.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.634 0.774 . . . . 0.0 112.896 -176.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.57 136.18 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.356 0.662 . . . . 0.0 110.395 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -129.83 146.44 51.56 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.527 1.131 . . . . 0.0 109.662 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.36 143.2 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.585 1.554 . . . . 0.0 107.971 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 79.7 m -138.25 127.27 24.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.134 0.574 . . . . 0.0 109.469 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.1 106.21 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -79.51 -30.66 42.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 110.91 -169.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -174.58 41.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.71 -0.156 . . . . 0.0 112.71 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.33 158.31 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 122.965 0.506 . . . . 0.0 110.745 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -141.33 79.93 1.71 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.688 1.195 . . . . 0.0 108.524 169.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.72 -113.91 4.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.526 -0.629 . . . . 0.0 111.526 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -92.55 -10.25 38.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.317 1.047 . . . . 0.0 110.576 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.37 154.72 20.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.148 0.975 . . . . 0.0 112.184 170.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.86 124.45 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.64 1.576 . . . . 0.0 106.967 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -98.72 113.64 25.81 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.063 0.945 . . . . 0.0 108.661 -173.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -123.71 124.53 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.325 0.65 . . . . 0.0 110.396 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.04 141.59 15.68 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.397 0.998 . . . . 0.0 111.177 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -132.02 140.65 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.036 0.934 . . . . 0.0 108.699 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -138.05 102.85 4.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.218 0.607 . . . . 0.0 109.624 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.53 154.7 79.83 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.276 1.031 . . . . 0.0 109.613 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.11 149.85 82.44 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.254 1.97 . . . . 0.0 110.65 170.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -68.08 -1.64 6.31 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.97 -22.39 66.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.728 1.211 . . . . 0.0 111.458 168.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.81 157.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.236 1.014 . . . . 0.0 110.6 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.53 157.06 16.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.319 0.648 . . . . 0.0 111.962 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.6 131.93 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 O-C-N 121.748 -0.595 . . . . 0.0 110.571 169.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -153.98 169.73 22.78 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.4 0.68 . . . . 0.0 112.288 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 mpp_? -65.5 156.22 33.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 165.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -62.25 -36.32 81.67 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 121.095 -1.003 . . . . 0.0 111.523 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.8 -22.44 66.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.979 0.912 . . . . 0.0 112.974 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -94.36 -41.3 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.261 1.024 . . . . 0.0 111.166 178.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.86 -35.96 11.22 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.853 1.261 . . . . 0.0 112.516 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -61.61 -25.52 67.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.609 1.164 . . . . 0.0 113.277 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -44.83 63.52 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 119.703 1.138 . . . . 0.0 110.149 -177.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 51' ' ' ILE . . . . . 0.462 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.455 -0.201 0 C-N-CA 127.073 2.149 . . . . 0.0 109.951 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ttt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt -124.0 110.28 14.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.13 0.972 . . . . 0.0 109.418 -176.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -100.49 135.94 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.853 0.861 . . . . 0.0 109.397 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.43 163.18 28.5 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.122 1.369 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -132.75 100.94 5.09 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -105.01 162.15 13.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.536 1.934 . . . . 0.0 109.127 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -105.91 175.26 5.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.799 0.727 . . . . 0.0 112.507 168.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -55.54 138.99 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.979 0.419 . . . . 0.0 111.975 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.17 -5.78 84.52 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.968 -0.907 . . . . 0.0 115.116 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -72.91 166.75 22.41 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.593 1.697 . . . . 0.0 111.882 173.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 41.0 m -131.36 149.12 52.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.909 . . . . 0.0 111.786 169.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -129.15 155.35 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.518 1.927 . . . . 0.0 108.054 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -130.43 149.85 51.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.641 -0.662 . . . . 0.0 112.479 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.92 139.28 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.48 1.112 . . . . 0.0 109.074 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -135.67 50.32 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -124.77 9.91 8.3 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.285 1.034 . . . . 0.0 111.372 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.13 -7.17 1.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -169.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.38 136.9 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 119.275 0.943 . . . . 0.0 111.091 -171.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -129.92 142.53 50.64 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.73 1.212 . . . . 0.0 110.577 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -129.58 117.56 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 124.786 1.234 . . . . 0.0 109.628 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -115.23 131.62 56.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.76 0.824 . . . . 0.0 110.271 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.66 113.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.06 -32.67 50.94 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.749 0.42 . . . . 0.0 110.457 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.39 -173.22 35.48 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.611 0.624 . . . . 0.0 113.029 168.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 m -119.03 159.7 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.417 0.687 . . . . 0.0 111.699 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -149.98 91.28 1.76 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.2 1.0 . . . . 0.0 109.709 169.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.4 -119.32 7.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -170.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -90.06 -14.77 33.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 117.436 0.618 . . . . 0.0 111.954 174.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 144.36 51.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.694 0.759 . . . . 0.0 110.021 175.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.16 110.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 126.562 1.945 . . . . 0.0 106.116 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -88.57 123.82 33.43 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.284 1.034 . . . . 0.0 108.779 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -129.4 138.51 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.172 0.589 . . . . 0.0 110.882 -167.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 139.13 14.88 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.704 1.145 . . . . 0.0 111.383 170.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 77.6 mt -131.29 129.89 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.64 1.176 . . . . 0.0 109.351 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.88 99.06 5.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -173.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.93 78.21 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.81 157.53 47.46 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.11 2.54 . . . . 0.0 112.086 171.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.83 -0.99 12.57 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 172.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.82 -22.88 66.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.434 1.093 . . . . 0.0 111.712 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -121.08 157.82 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.069 0.947 . . . . 0.0 110.552 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.73 157.32 16.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.973 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.97 126.54 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 122.979 0.511 . . . . 0.0 109.833 168.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -148.64 170.41 18.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.02 0.928 . . . . 0.0 109.859 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -71.19 156.4 39.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 168.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -61.82 -23.89 66.53 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.057 0.456 . . . . 0.0 111.069 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.49 -35.52 80.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.757 1.623 . . . . 0.0 111.994 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.69 -32.49 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.286 1.034 . . . . 0.0 109.683 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -54.99 -34.91 63.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.43 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -68.68 -27.14 65.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.425 0.69 . . . . 0.0 112.824 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -68.5 -25.73 65.1 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.009 0.524 . . . . 0.0 109.814 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -99.02 -29.67 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 124.497 1.119 . . . . 0.0 110.581 -172.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 176.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.734 -0.098 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -95.86 147.97 23.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.969 0.508 . . . . 0.0 111.503 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.54 137.08 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.455 0.702 . . . . 0.0 109.792 171.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.49 161.21 36.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.882 1.273 . . . . 0.0 110.367 -174.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.85 99.37 4.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 168.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.98 162.06 13.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.59 1.156 . . . . 0.0 109.507 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -121.11 171.98 8.29 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 m -54.52 134.77 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.725 -170.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.21 -2.82 81.8 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.104 0.859 . . . . 0.0 114.326 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -98.9 169.34 9.52 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.702 1.251 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -135.77 160.84 37.3 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -169.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 15.7 mt -139.37 154.92 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 126.379 1.872 . . . . 0.0 108.592 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -130.69 148.72 52.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.771 0.828 . . . . 0.0 112.348 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -136.02 144.79 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.635 1.174 . . . . 0.0 108.928 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.88 -132.49 52.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -170.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -128.37 9.99 6.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.487 0.715 . . . . 0.0 111.727 169.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.36 -11.47 1.89 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 113.097 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -105.16 137.52 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.597 0.635 . . . . 0.0 110.272 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -131.59 141.66 49.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.125 0.97 . . . . 0.0 110.387 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -120.55 139.86 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.585 1.554 . . . . 0.0 108.087 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 50.7 m -137.42 124.38 21.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.15 0.58 . . . . 0.0 109.762 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -76.07 116.48 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 170.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 mt -85.19 -29.5 24.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.076 0.55 . . . . 0.0 110.908 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.58 -176.02 34.03 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.295 0.474 . . . . 0.0 113.51 170.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.96 157.78 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.03 0 CA-C-N 117.621 0.711 . . . . 0.0 112.586 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -150.07 104.86 3.32 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.534 1.133 . . . . 0.0 109.351 168.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.72 -114.25 5.24 Favored Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.587 -0.696 . . . . 0.0 111.776 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -95.4 -13.16 24.9 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.626 0.713 . . . . 0.0 111.53 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.25 141.3 45.38 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.327 0.584 . . . . 0.0 109.8 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.35 105.71 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 -174.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.94 123.26 31.87 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.359 0.664 . . . . 0.0 109.401 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.91 134.99 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.461 0.704 . . . . 0.0 110.443 -168.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.63 141.71 15.62 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.086 0.85 . . . . 0.0 111.619 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mt -127.08 139.77 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 0.0 109.079 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -134.16 114.67 13.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.613 0.765 . . . . 0.0 109.236 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.71 157.22 75.42 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 123.637 0.775 . . . . 0.0 111.54 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.04 162.04 37.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.09 2.527 . . . . 0.0 112.211 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.93 -4.03 25.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.398 0.679 . . . . 0.0 112.575 172.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.92 -19.65 63.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.687 1.195 . . . . 0.0 112.376 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -126.9 165.42 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.718 0.807 . . . . 0.0 111.214 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.37 161.83 13.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.548 0.739 . . . . 0.0 111.432 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.02 119.84 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.315 0.646 . . . . 0.0 110.528 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.62 173.14 15.01 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.335 1.054 . . . . 0.0 110.063 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -76.9 160.72 28.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.796 -0.565 . . . . 0.0 110.521 169.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.34 -26.23 66.42 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.504 0.722 . . . . 0.0 112.0 -171.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.66 -45.87 88.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.852 1.261 . . . . 0.0 111.78 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -85.26 -29.23 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.798 0.839 . . . . 0.0 110.21 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -54.83 -35.05 63.54 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.952 0.901 . . . . 0.0 112.737 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.06 -26.19 66.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.497 0.719 . . . . 0.0 112.425 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.82 -22.8 61.5 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.704 0.802 . . . . 0.0 110.714 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.449 -0.496 0 C-N-CA 123.971 0.908 . . . . 0.0 109.837 -170.229 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.021 -0.514 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.21 115.33 30.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.469 0.708 . . . . 0.0 109.602 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.14 136.07 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.134 0.974 . . . . 0.0 109.456 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -131.91 159.82 37.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.13 0.972 . . . . 0.0 109.89 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -121.61 100.96 7.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.8 132.63 54.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.216 0.606 . . . . 0.0 110.687 -168.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -96.54 156.16 16.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.987 -0.446 . . . . 0.0 110.389 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.4 t -46.51 127.94 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.53 0.732 . . . . 0.0 111.181 -179.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.57 -4.11 69.09 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.212 0.91 . . . . 0.0 114.356 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -100.12 175.02 5.88 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.492 1.146 . . . . 0.0 111.448 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 m -139.86 150.55 44.77 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -168.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.3 mm -109.75 155.31 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 125.658 1.583 . . . . 0.0 109.502 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -128.1 137.55 52.17 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.318 1.047 . . . . 0.0 110.461 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -131.3 130.98 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.451 1.1 . . . . 0.0 109.372 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.73 -129.06 30.04 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -130.04 3.49 4.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.905 0.882 . . . . 0.0 112.4 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -133.4 -13.7 2.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -168.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.5 mt -110.57 139.37 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.812 0.845 . . . . 0.0 110.39 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -136.07 148.27 48.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.825 0.85 . . . . 0.0 109.155 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -128.56 138.69 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 108.575 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -129.7 129.69 44.54 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.317 0.647 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.66 97.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.91 -31.47 69.28 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -174.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.73 -173.94 44.56 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 123.131 0.396 . . . . 0.0 113.106 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 147.55 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.624 0.77 . . . . 0.0 111.099 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -138.48 64.79 1.48 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.637 1.175 . . . . 0.0 109.696 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.93 -117.82 7.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.87 -1.89 55.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.586 0.754 . . . . 0.0 112.48 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -117.67 160.03 21.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.936 0.874 . . . . 0.0 112.414 169.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.04 134.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.981 1.713 . . . . 0.0 109.506 -166.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -104.38 101.96 11.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.976 0.51 . . . . 0.0 110.188 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -111.85 133.75 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.576 1.15 . . . . 0.0 109.843 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.87 139.68 14.99 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.952 0.787 . . . . 0.0 111.57 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -109.47 132.95 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.115 1.366 . . . . 0.0 108.395 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -119.94 74.97 1.05 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.552 1.141 . . . . 0.0 109.388 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.5 153.57 44.87 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.742 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.13 154.94 47.27 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.747 2.298 . . . . 0.0 110.599 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -68.33 -4.24 13.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.27 -25.41 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.92 0.888 . . . . 0.0 112.136 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.96 143.98 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.805 0.812 . . . . 0.0 111.628 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 143.02 29.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.586 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.75 130.69 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 122.832 0.453 . . . . 0.0 110.172 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -150.83 158.07 43.7 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.891 0.476 . . . . 0.0 111.537 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -62.75 159.12 17.01 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.977 0.911 . . . . 0.0 109.232 168.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.13 -42.42 99.51 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.925 1.239 . . . . 0.0 111.991 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -72.99 -0.22 13.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.522 -0.736 . . . . 0.0 112.975 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.38 -10.29 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 124.423 1.089 . . . . 0.0 111.073 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -80.06 -42.28 24.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.427 -1.421 . . . . 0.0 110.453 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -73.11 -20.66 60.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.874 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -76.47 -33.11 58.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.09 0.556 . . . . 0.0 111.631 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.17 -50.09 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.944 0.898 . . . . 0.0 109.677 171.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -83.77 5.04 26.39 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.85 -23.05 67.1 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.327 0.251 . . . . 0.0 111.468 169.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.05 -6.91 2.07 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.091 0.853 . . . . 0.0 113.245 171.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -89.83 90.71 8.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 122.621 1.2 . . . . 0.0 111.54 -169.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -153.32 -27.14 0.14 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.045 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.2 152.7 40.21 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 124.383 1.073 . . . . 0.0 111.634 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.27 160.02 50.73 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.974 2.45 . . . . 0.0 111.685 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.517 169.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.8 tpp . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.16 118.27 36.27 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 169.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -113.59 138.27 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -136.55 137.6 40.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.085 1.354 . . . . 0.0 110.241 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m -102.53 102.04 12.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -108.13 129.68 55.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.055 1.742 . . . . 0.0 110.64 -168.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -77.97 155.7 30.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.202 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -61.31 133.96 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.489 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.35 -4.47 73.64 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 119.273 -0.737 . . . . 0.0 114.443 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -90.3 170.93 9.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.611 1.206 . . . . 0.0 111.003 172.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.5 m -136.68 164.49 28.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.429 0.691 . . . . 0.0 112.406 -170.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mt -145.63 157.79 12.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 126.482 1.913 . . . . 0.0 108.826 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -135.67 146.65 48.02 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.966 0.906 . . . . 0.0 111.801 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.65 128.77 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.575 1.15 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.46 -134.35 51.72 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.74 5.06 6.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.79 0.836 . . . . 0.0 112.799 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -115.37 -20.0 10.48 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.05 135.07 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.163 0.892 . . . . 0.0 111.403 -169.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -129.3 148.02 51.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.792 1.237 . . . . 0.0 109.603 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -129.68 141.62 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 125.111 1.364 . . . . 0.0 108.509 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -133.87 130.23 37.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.091 0.556 . . . . 0.0 109.933 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -85.37 93.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.44 -33.38 75.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.839 -0.538 . . . . 0.0 110.974 -171.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.18 -178.0 40.95 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.66 150.33 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 169.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -124.86 79.37 1.77 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 -119.23 4.92 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.66 10.26 41.49 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.112 -0.64 . . . . 0.0 111.206 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -98.94 152.52 19.69 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.977 0.911 . . . . 0.0 109.919 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.53 111.86 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -84.05 116.37 22.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.497 1.119 . . . . 0.0 109.526 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.7 129.43 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.125 0.97 . . . . 0.0 109.526 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.42 133.01 11.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 171.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.57 128.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.806 0.812 . . . . 0.0 109.216 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -130.83 74.86 1.62 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.286 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.35 157.39 49.37 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.972 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.431 ' C ' ' H ' ' B' ' 39' ' ' ASP . 29.3 Cg_endo -59.21 152.15 62.04 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.393 1.396 . . . . 0.0 109.61 168.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.418 ' HE2' " O2'" ' G' ' 28' ' ' ' G' . 12.2 mttt -67.56 -0.69 4.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.68 1.192 . . . . 0.0 112.827 172.267 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.431 ' H ' ' C ' ' B' ' 37' ' ' PRO . 0.9 OUTLIER -65.89 -28.17 68.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.026 1.73 . . . . 0.0 111.58 170.188 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -106.89 144.14 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.494 1.117 . . . . 0.0 110.174 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.479 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -84.8 141.25 30.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.388 0.613 . . . . 0.0 111.807 172.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.432 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 7.8 t -144.96 100.5 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.388 -166.657 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.482 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.6 OUTLIER -146.2 166.48 26.09 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.208 1.003 . . . . 0.0 110.959 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -69.22 158.4 35.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 122.117 -0.364 . . . . 0.0 110.348 168.371 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -54.19 -38.18 65.32 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.167 0.587 . . . . 0.0 112.34 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.52 -46.61 38.77 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.995 0.518 . . . . 0.0 111.208 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.65 -47.6 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 125.374 1.47 . . . . 0.0 110.029 -172.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -50.3 -36.47 31.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.122 0.969 . . . . 0.0 111.671 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.74 -23.39 63.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -82.94 -39.48 21.37 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.567 169.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.06 -40.83 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -176.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -80.2 4.96 15.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 173.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.42 -19.13 50.73 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.025 0.53 . . . . 0.0 111.164 168.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.69 47.61 0.09 OUTLIER Glycine 0 C--N 1.338 0.653 0 C-N-CA 123.651 0.643 . . . . 0.0 114.102 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.74 -176.97 2.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.885 0.843 . . . . 0.0 112.805 -168.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.9 p -125.37 -177.64 3.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.468 1.507 . . . . 0.0 109.47 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.0 119.22 1.69 Allowed Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.084 0.954 . . . . 0.0 111.31 177.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -68.26 177.19 4.74 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.196 1.931 . . . . 0.0 113.929 -169.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.454 -0.26 0 C-N-CA 124.546 1.138 . . . . 0.0 112.858 177.119 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.84 110.46 22.63 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.79 133.68 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.718 0.807 . . . . 0.0 109.657 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.8 140.78 50.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.59 1.156 . . . . 0.0 109.666 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p -100.25 143.96 29.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.83 0.348 . . . . 0.0 110.79 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -134.78 141.32 46.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.393 0.677 . . . . 0.0 110.563 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.489 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.8 tptm -77.29 155.77 31.83 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.75 132.72 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 119.139 0.881 . . . . 0.0 111.295 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.23 -4.25 84.36 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.61 1.1 . . . . 0.0 113.991 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -86.91 173.32 9.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.203 1.501 . . . . 0.0 111.803 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -136.49 159.3 42.19 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -167.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 61.5 mt -136.49 159.04 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 127.887 2.475 . . . . 0.0 107.834 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -132.45 150.3 52.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.836 0.854 . . . . 0.0 111.62 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -133.28 136.68 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.478 1.111 . . . . 0.0 109.138 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -140.81 47.17 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.54 0.59 . . . . 0.0 111.779 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.17 7.35 12.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.686 1.194 . . . . 0.0 111.054 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.51 -13.83 5.36 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -169.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.53 135.51 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.947 0.794 . . . . 0.0 110.901 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -122.67 142.68 50.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.647 1.179 . . . . 0.0 109.612 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -124.23 139.75 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.076 1.351 . . . . 0.0 108.273 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -132.13 130.29 40.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.44 112.82 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 168.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -83.56 -45.11 13.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 121.722 -0.611 . . . . 0.0 110.01 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.08 -177.91 48.6 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 121.6 -0.333 . . . . 0.0 112.951 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.21 151.45 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 123.205 0.602 . . . . 0.0 110.779 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -140.07 100.23 3.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.415 1.086 . . . . 0.0 108.105 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.97 -124.14 22.89 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -169.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.55 -0.8 51.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.324 1.05 . . . . 0.0 111.939 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -85.06 153.31 22.8 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.289 0.566 . . . . 0.0 110.815 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -130.32 122.18 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 125.211 1.404 . . . . 0.0 108.186 176.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -82.23 118.03 22.8 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.23 130.84 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 125.218 1.407 . . . . 0.0 108.885 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.75 137.04 13.17 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.22 0.914 . . . . 0.0 111.996 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -122.92 121.62 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.622 1.169 . . . . 0.0 108.823 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -118.49 98.66 6.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.266 0.627 . . . . 0.0 110.128 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.26 155.06 80.23 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.254 1.021 . . . . 0.0 110.02 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.42 151.39 83.11 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.664 2.242 . . . . 0.0 111.0 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.24 -0.94 2.84 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.344 0.657 . . . . 0.0 112.615 172.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.9 -23.24 66.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 169.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.02 148.67 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.307 1.043 . . . . 0.0 110.478 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.12 154.3 22.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.298 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.22 132.29 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -153.66 153.83 33.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.334 0.654 . . . . 0.0 110.746 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -74.25 159.03 33.02 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -61.32 -32.76 72.64 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -168.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.56 -21.58 62.68 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -95.12 -35.75 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.472 0.709 . . . . 0.0 110.696 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.7 -37.04 49.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.219 1.008 . . . . 0.0 112.182 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.94 -28.86 66.66 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.834 0.854 . . . . 0.0 112.723 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -69.36 -38.32 78.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.213 0.605 . . . . 0.0 111.707 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.1 mp -68.25 -20.4 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -92.04 -10.88 37.55 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.727 0.811 . . . . 0.0 112.571 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.04 -22.83 44.82 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.144 0.978 . . . . 0.0 112.036 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.06 137.9 9.53 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 123.913 0.768 . . . . 0.0 111.343 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.86 160.6 43.45 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.084 0.953 . . . . 0.0 111.476 -172.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -140.32 159.42 42.23 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.493 1.117 . . . . 0.0 110.906 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 48.74 76.98 0.49 Allowed Pre-proline 0 N--CA 1.455 -0.216 0 C-N-CA 125.553 1.541 . . . . 0.0 113.405 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -64.28 176.01 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.343 2.695 . . . . 0.0 113.915 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 124.27 1.028 . . . . 0.0 112.629 -179.762 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tpp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -112.04 113.64 26.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.263 1.425 . . . . 0.0 107.962 168.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -99.28 133.85 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.768 1.227 . . . . 0.0 109.462 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 mt -123.09 172.14 8.78 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.373 1.469 . . . . 0.0 109.807 172.533 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -134.81 109.92 8.85 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.996 169.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -123.26 149.77 44.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.857 0.863 . . . . 0.0 111.122 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -80.76 161.07 24.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.301 0.572 . . . . 0.0 111.693 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -54.88 138.84 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.561 0.744 . . . . 0.0 111.45 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.54 83.15 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.465 1.031 . . . . 0.0 113.918 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -90.61 174.9 7.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.905 1.353 . . . . 0.0 112.961 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.66 152.32 51.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.028 0.931 . . . . 0.0 112.276 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -142.12 161.43 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.17 1.788 . . . . 0.0 108.553 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -137.59 146.47 44.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 112.035 -171.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 136.26 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.9 1.28 . . . . 0.0 109.176 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.19 -136.63 50.36 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.97 9.94 6.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.958 0.903 . . . . 0.0 112.425 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -125.65 -14.2 6.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.01 135.28 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.991 0.814 . . . . 0.0 110.864 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 58.7 m -125.9 146.85 49.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.298 1.039 . . . . 0.0 110.019 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -124.87 143.47 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.776 1.63 . . . . 0.0 108.127 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -136.96 124.14 21.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.77 105.69 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.51 -32.13 47.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.027 0.531 . . . . 0.0 110.604 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.87 -173.76 41.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 122.152 -0.071 . . . . 0.0 113.174 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -112.75 163.86 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.255 0.622 . . . . 0.0 111.116 169.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -147.21 80.94 1.53 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.427 1.091 . . . . 0.0 108.146 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.18 -115.64 4.71 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -171.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.489 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.7 mp0 -92.48 -13.53 29.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.011 0.924 . . . . 0.0 110.668 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -73.62 147.35 43.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.466 0.651 . . . . 0.0 110.599 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -132.5 116.24 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 -91.98 111.97 23.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.527 1.131 . . . . 0.0 108.804 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.72 125.18 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.507 0.723 . . . . 0.0 109.883 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.86 137.95 14.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 171.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.62 143.94 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.168 0.987 . . . . 0.0 108.492 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.09 105.59 5.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.371 0.669 . . . . 0.0 109.267 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.45 155.71 64.0 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.228 1.011 . . . . 0.0 110.031 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.74 151.95 82.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.701 2.267 . . . . 0.0 111.045 170.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.09 -1.35 7.45 Favored 'General case' 0 C--N 1.337 0.061 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.1 -21.94 66.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.375 1.07 . . . . 0.0 111.251 168.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.19 158.36 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.357 1.063 . . . . 0.0 110.641 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 157.11 16.14 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.304 0.642 . . . . 0.0 112.089 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.5 125.8 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 122.033 -0.417 . . . . 0.0 110.095 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -151.86 166.69 30.66 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.496 0.718 . . . . 0.0 111.841 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -62.67 155.76 25.42 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 167.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.29 -38.74 84.56 Favored 'General case' 0 CA--C 1.528 0.108 0 O-C-N 121.508 -0.745 . . . . 0.0 111.626 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.5 -23.98 67.62 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.943 0.897 . . . . 0.0 112.996 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm -94.77 -41.51 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.781 1.232 . . . . 0.0 110.911 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.42 -35.92 13.75 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.295 1.438 . . . . 0.0 112.097 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.42 -21.83 65.7 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.6 1.16 . . . . 0.0 113.276 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -84.53 -39.04 19.3 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.534 1.134 . . . . 0.0 110.221 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.419 ' HA ' ' HA ' ' D' ' 55' ' ' LEU . 3.5 mp -73.54 -19.01 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.517 1.527 . . . . 0.0 110.51 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -104.62 -17.65 14.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.786 1.234 . . . . 0.0 113.388 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.07 -50.49 5.66 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 119.183 0.901 . . . . 0.0 112.563 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.93 0.82 3.39 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 123.786 0.708 . . . . 0.0 112.882 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 64.95 56.88 1.03 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.626 1.57 . . . . 0.0 109.835 166.329 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 8.1 p -68.93 -29.78 68.1 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.123 -1.399 . . . . 0.0 114.186 -166.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -129.2 92.17 39.86 Favored Pre-proline 0 N--CA 1.452 -0.326 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 167.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.13 -35.98 75.07 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 124.018 3.146 . . . . 0.0 112.178 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 125.141 1.376 . . . . 0.0 109.871 -170.372 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 119.894 -0.098 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -139.62 121.73 15.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.817 0.847 . . . . 0.0 109.521 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -105.06 129.8 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.818 0.847 . . . . 0.0 108.863 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.2 165.07 29.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.017 0.927 . . . . 0.0 111.602 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -128.21 123.62 34.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.288 0.635 . . . . 0.0 109.653 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -133.49 138.38 46.11 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.658 1.183 . . . . 0.0 109.98 -173.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -95.6 168.47 10.66 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.82 137.03 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.154 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.83 -4.1 83.28 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.05 0.834 . . . . 0.0 114.314 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -93.97 169.89 9.94 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.831 1.315 . . . . 0.0 111.596 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -133.54 154.88 50.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -168.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.8 mt -141.38 157.84 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 126.313 1.845 . . . . 0.0 108.347 -175.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -140.35 150.14 43.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -137.55 140.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.888 1.275 . . . . 0.0 109.151 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 -138.65 48.1 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -121.81 8.58 9.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.026 0.931 . . . . 0.0 111.797 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -138.38 -7.92 1.51 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.3 135.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 110.904 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.7 m -127.14 143.44 51.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.464 1.106 . . . . 0.0 110.213 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mm -123.18 136.81 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.215 1.406 . . . . 0.0 108.29 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -134.52 125.84 28.16 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.129 0.572 . . . . 0.0 109.828 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -78.65 109.17 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.8 -31.88 59.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.483 0.313 . . . . 0.0 110.479 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -172.53 33.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.111 0.386 . . . . 0.0 113.346 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.64 159.1 24.47 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.776 0.83 . . . . 0.0 112.261 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -146.24 89.96 1.91 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.198 1.399 . . . . 0.0 108.619 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.48 -113.59 5.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -93.7 -17.67 22.96 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.269 0.534 . . . . 0.0 111.786 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -74.63 140.57 44.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.469 0.708 . . . . 0.0 109.761 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.6 112.73 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -88.24 119.51 28.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.94 129.92 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.906 0.882 . . . . 0.0 110.092 -169.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.69 140.68 15.45 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.151 0.881 . . . . 0.0 111.177 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.31 126.03 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.766 1.226 . . . . 0.0 108.742 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.17 98.93 5.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.77 155.03 79.73 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 124.724 1.209 . . . . 0.0 110.445 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.0 158.02 40.93 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 122.821 2.347 . . . . 0.0 112.094 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -72.03 -0.99 13.05 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.495 0.718 . . . . 0.0 112.614 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.96 -23.13 65.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.689 1.196 . . . . 0.0 111.718 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -122.02 157.61 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.77 159.3 15.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.1 128.03 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.886 0.474 . . . . 0.0 110.583 171.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -150.97 174.11 13.51 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.856 1.263 . . . . 0.0 109.365 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . 0.413 HH21 HD23 ' F' ' 4' ' ' LEU . 6.3 ptp85 -81.34 166.03 20.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.589 -0.694 . . . . 0.0 110.219 169.556 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.13 -31.15 68.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.992 0.517 . . . . 0.0 112.341 -170.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.34 -48.65 79.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.338 1.055 . . . . 0.0 111.674 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -81.87 -33.03 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.564 0.745 . . . . 0.0 109.813 -171.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -50.94 -35.4 33.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.482 1.113 . . . . 0.0 112.619 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.52 -22.06 63.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.919 0.887 . . . . 0.0 112.65 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -71.81 -46.88 56.7 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.176 0.59 . . . . 0.0 109.634 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.48 -22.96 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 125.415 1.486 . . . . 0.0 110.626 -178.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -85.22 -41.02 15.99 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 169.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.24 -33.28 7.86 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 -166.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -125.77 -23.64 1.63 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 123.965 0.793 . . . . 0.0 112.988 -169.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 63.9 174.22 0.18 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 128.05 2.54 . . . . 0.0 113.255 169.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -94.89 -9.47 34.14 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.889 -175.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.2 132.87 17.02 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 124.171 0.988 . . . . 0.0 109.935 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -66.67 -177.25 0.88 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.974 2.449 . . . . 0.0 113.014 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 N--CA 1.455 -0.189 0 C-N-CA 124.448 1.099 . . . . 0.0 112.788 177.135 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 111.093 0.034 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.53 150.13 20.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.779 0.432 . . . . 0.0 111.391 173.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.73 133.09 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 169.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . 0.413 HD23 HH21 ' E' ' 44' ' ' ARG . 55.9 mt -128.93 161.07 30.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.003 1.321 . . . . 0.0 110.151 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.06 100.94 6.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.24 0.543 . . . . 0.0 109.807 169.089 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -105.0 138.94 40.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 126.26 1.824 . . . . 0.0 109.347 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -101.99 167.99 9.69 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 120.495 1.498 . . . . 0.0 112.986 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -56.93 137.49 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.844 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.22 -6.85 78.6 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.364 0.983 . . . . 0.0 113.853 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -98.29 173.51 6.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.643 1.222 . . . . 0.0 111.715 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 158.51 43.22 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 33.5 mt -137.54 158.17 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.732 2.013 . . . . 0.0 108.329 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.63 149.0 50.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.47 -0.769 . . . . 0.0 112.555 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.0 mt -136.91 140.4 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.59 1.156 . . . . 0.0 109.19 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -134.92 49.77 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.46 10.01 6.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.244 1.017 . . . . 0.0 112.328 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -131.23 -22.24 2.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.74 136.42 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 119.116 0.871 . . . . 0.0 110.84 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -127.34 142.58 51.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.316 1.046 . . . . 0.0 110.228 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mm -121.47 142.18 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.443 1.497 . . . . 0.0 108.201 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -135.41 127.63 30.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.149 0.58 . . . . 0.0 109.652 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.01 111.84 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.12 -27.7 26.06 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.207 0.603 . . . . 0.0 111.283 -171.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.73 -173.59 34.44 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.242 0.449 . . . . 0.0 113.511 171.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -127.5 153.3 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.651 0.781 . . . . 0.0 111.873 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 72.4 m -139.42 89.92 2.37 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.066 1.346 . . . . 0.0 109.173 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.46 -107.61 2.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.86 -20.35 19.51 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.298 0.549 . . . . 0.0 111.941 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -73.59 142.63 46.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 110.171 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -133.14 114.46 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.15 129.18 35.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.972 0.909 . . . . 0.0 109.476 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.67 143.0 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.057 0.943 . . . . 0.0 110.038 -168.116 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.22 137.88 14.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 173.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -126.63 133.74 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.999 0.92 . . . . 0.0 109.464 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -127.49 105.94 8.85 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.192 0.997 . . . . 0.0 109.29 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 157.87 76.99 Favored Pre-proline 0 N--CA 1.453 -0.283 0 C-N-CA 123.917 0.887 . . . . 0.0 111.203 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.94 160.42 41.4 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.918 2.412 . . . . 0.0 112.211 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.6 -13.94 37.23 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -13.94 61.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.15 1.38 . . . . 0.0 112.496 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 m -127.3 163.76 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.105 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.42 163.2 12.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 111.468 172.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.99 126.31 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.5 0.72 . . . . 0.0 110.094 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -153.42 176.57 11.86 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.042 0.937 . . . . 0.0 110.505 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.46 163.57 25.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.859 -0.526 . . . . 0.0 109.77 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.59 -29.72 69.37 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.15 -47.7 77.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.705 0.802 . . . . 0.0 111.43 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -87.61 -30.04 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.615 0.766 . . . . 0.0 110.309 -170.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -50.28 -36.83 33.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.474 1.11 . . . . 0.0 112.864 175.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -60.46 -22.01 62.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.893 0.877 . . . . 0.0 112.405 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.96 -22.83 52.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.546 0.739 . . . . 0.0 110.783 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.62 -24.52 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.815 1.246 . . . . 0.0 109.956 -177.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -85.31 -49.77 7.89 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 170.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.12 -27.98 13.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -165.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.0 -27.62 1.0 Allowed Glycine 0 CA--C 1.525 0.68 0 CA-C-N 118.71 0.686 . . . . 0.0 112.282 -169.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.62 159.69 0.14 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 128.714 2.805 . . . . 0.0 113.263 173.326 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 40.5 p -95.01 -0.93 53.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.882 -174.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.89 135.06 19.54 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.339 1.055 . . . . 0.0 109.677 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -65.07 179.22 1.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.025 2.483 . . . . 0.0 113.401 172.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.454 -0.271 0 C-N-CA 124.328 1.051 . . . . 0.0 112.56 176.334 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.282 0 O4'-C1'-N19 111.691 3.491 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.563 3.363 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 O4'-C1'-N19 112.804 4.604 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 1 O4'-C1'-N19 112.403 4.203 . 0.123 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C3'-C2'-C1' 104.835 3.706 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 2 C5'-C4'-C3' 107.957 -5.029 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 C5'-C4'-C3' 108.469 -4.687 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 C3'-C2'-C1' 103.9 2.667 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 O5'-C5'-C4' 113.268 2.192 . 0.013 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C3'-C2'-C1' 104.492 3.324 . 0.115 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 O4'-C1'-N19 111.447 3.247 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C4'-C3' 108.589 2.206 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C5'-C4'-C3' 110.841 -3.106 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 100.449 -2.251 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.662 3.462 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.767 3.567 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 110.117 -3.589 . 0.903 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 113.376 5.176 . 0.189 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 O4'-C1'-N19 110.939 2.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.855 3.655 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 O4'-C1'-N19 112.459 4.259 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.033 0 O4'-C1'-N19 110.996 2.796 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.777 4.577 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 112.139 3.939 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 C5'-C4'-C3' 110.397 -3.402 . 0.318 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 O4'-C1'-N19 111.221 3.021 . 0.287 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.482 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 C5'-C4'-C3' 111.515 -2.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.432 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-C3' 111.591 -2.606 . 0.065 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C5'-C4'-C3' 111.57 -2.62 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.563 3.363 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C4'-C3'-C2' 100.16 -2.54 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.249 3.049 . 0.571 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.315 4.115 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 C4'-C3'-C2' 99.047 -3.653 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C4'-C3'-C2' 99.765 -2.935 . 0.12 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.57 3.37 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 P-O3'-C3' 122.702 2.502 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C5'-C4'-C3' 110.676 -3.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.413 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C3'-C2'-C1' 104.074 2.859 . 0.351 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.413 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.2 1 O4'-C1'-N19 113.324 5.124 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.405 1 C5'-C4'-C3' 108.544 -4.637 . 0.028 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 O4'-C1'-N19 112.208 4.008 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 2 O4'-C1'-N19 114.467 6.267 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 1 O4'-C1'-N19 112.416 4.216 . 0.103 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 1 O4'-C1'-N19 112.258 4.058 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 C4'-C3'-C2' 99.789 -2.911 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 111.685 3.485 . 0.499 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.439 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.332 1 C3'-C2'-C1' 105.458 4.398 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.439 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.073 2.873 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 112.04 3.84 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . 0.447 ' C2 ' " H1'" ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.403 2 O5'-C5'-C4' 116.637 4.598 . 0.012 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.477 1 O5'-C5'-C4' 117.868 5.477 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . 0.447 " H1'" ' C2 ' ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C5'-C4'-C3' 112.046 -2.302 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 1 O4'-C1'-N19 112.3 4.1 . 0.922 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 100.502 -2.198 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 110.838 2.638 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C5'-C4'-C3' 112.022 -2.318 . 0.026 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 O4'-C1'-N19 112.031 3.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 112.163 3.963 . 0.205 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 O4'-C1'-N19 111.683 3.483 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 111.816 3.616 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O4'-C1'-N19 112.519 4.319 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 0 C5'-C4'-C3' 111.307 -2.795 . 0.448 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 C4'-C3'-C2' 99.174 -3.526 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.022 2.822 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.385 0 C5'-C4'-C3' 110.866 -3.089 . 0.158 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 2 C5'-C4'-C3' 105.018 -6.988 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 P-O3'-C3' 125.851 5.126 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 N19-C1'-C2' 109.155 -2.653 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 1 O4'-C1'-N19 112.61 4.41 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 111.017 2.817 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.148 2.948 . 0.447 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 116.11 28.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.536 0.734 . . . . 0.0 109.78 -177.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -100.15 138.87 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.692 0.797 . . . . 0.0 110.45 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt -136.4 163.23 30.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.58 1.152 . . . . 0.0 109.287 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -126.8 100.92 6.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -106.14 135.5 47.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.064 0.546 . . . . 0.0 110.661 -174.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -92.57 156.56 17.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.428 ' CG1' ' HA2' ' A' ' 24' ' ' GLY . 33.1 m -62.47 135.08 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.567 -170.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.03 -1.18 67.48 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.326 0.965 . . . . 0.0 114.363 -172.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -96.79 171.35 8.57 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.971 1.386 . . . . 0.0 111.833 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 159.69 41.64 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.44 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.3 mm -131.52 156.17 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 126.878 2.071 . . . . 0.0 108.153 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -128.95 143.97 51.04 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.826 1.251 . . . . 0.0 109.807 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.0 132.81 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.787 0.835 . . . . 0.0 109.313 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 -129.79 40.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.94 4.94 4.94 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 172.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -135.4 -7.56 2.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -118.24 139.82 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.165 0.986 . . . . 0.0 110.398 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.1 m -138.88 145.62 40.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.957 0.903 . . . . 0.0 109.595 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -126.61 143.6 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.09 1.356 . . . . 0.0 108.352 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -138.92 133.12 31.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.392 0.677 . . . . 0.0 109.95 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.04 109.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 171.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.96 -31.76 45.12 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.051 -0.405 . . . . 0.0 110.114 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.6 -176.97 34.61 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 165.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 23.8 m -87.56 155.94 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.953 0.901 . . . . 0.0 112.037 -171.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -143.31 60.89 1.4 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.82 1.248 . . . . 0.0 110.0 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.59 -121.94 18.8 Favored Glycine 0 CA--C 1.526 0.78 0 O-C-N 121.606 -0.683 . . . . 0.0 111.417 -173.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -77.56 -4.57 46.44 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.535 0.734 . . . . 0.0 111.98 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -98.86 160.97 13.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.986 0.898 . . . . 0.0 111.354 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.94 129.61 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 125.553 1.541 . . . . 0.0 108.024 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 42.6 mtm-85 -104.33 101.95 11.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.98 0.512 . . . . 0.0 110.031 -175.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.1 mt -106.75 135.71 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.402 1.481 . . . . 0.0 109.455 -173.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.52 141.19 16.01 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.108 0.861 . . . . 0.0 111.444 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.37 137.33 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.521 1.528 . . . . 0.0 108.15 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -128.52 74.88 1.59 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.597 1.159 . . . . 0.0 109.144 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.42 154.78 47.66 Favored Pre-proline 0 N--CA 1.453 -0.282 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.993 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 157.46 45.22 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.701 2.268 . . . . 0.0 110.461 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -69.46 -1.06 7.51 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.88 -30.02 70.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.071 0.948 . . . . 0.0 111.22 168.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -120.43 144.08 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.819 0.848 . . . . 0.0 111.206 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.57 142.95 27.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.513 0.725 . . . . 0.0 110.745 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.61 124.37 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 122.972 0.509 . . . . 0.0 110.246 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -153.8 161.09 42.36 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 109.785 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -86.05 166.51 15.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.006 -0.434 . . . . 0.0 111.983 171.684 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -68.72 -26.44 65.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.024 0.53 . . . . 0.0 112.191 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.96 -22.27 62.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.632 1.173 . . . . 0.0 112.548 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.7 -25.69 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.421 1.088 . . . . 0.0 111.235 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.78 -31.12 72.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.425 -0.797 . . . . 0.0 110.538 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.94 -11.43 60.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.894 0.878 . . . . 0.0 112.142 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.08 -30.63 25.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.688 1.195 . . . . 0.0 110.972 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 60.2 mt -69.54 -49.81 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.876 0.871 . . . . 0.0 109.197 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -84.05 5.28 26.51 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.862 1.265 . . . . 0.0 112.129 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.2 -11.04 17.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.893 0.877 . . . . 0.0 112.681 172.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.19 14.52 1.23 Allowed Glycine 0 CA--C 1.523 0.568 0 CA-C-O 118.699 -1.056 . . . . 0.0 112.606 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.5 mt -91.75 86.54 5.98 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 119.193 1.497 . . . . 0.0 107.127 174.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 15.3 p 165.34 133.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 O-C-N 120.512 -1.368 . . . . 0.0 108.346 -175.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.17 164.99 15.93 Favored Pre-proline 0 C--O 1.232 0.171 0 C-N-CA 124.111 0.964 . . . . 0.0 112.51 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.84 168.39 23.11 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.18 2.586 . . . . 0.0 111.712 168.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 123.987 0.915 . . . . 0.0 112.542 -175.489 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.412 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 33.4 tpp . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 119.727 -0.178 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.61 123.48 49.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.01 1.324 . . . . 0.0 107.508 168.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.03 142.2 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -165.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -138.22 142.07 39.97 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.212 1.405 . . . . 0.0 110.946 -176.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 90.5 m -122.14 101.97 7.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -128.21 162.3 27.3 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.196 0.998 . . . . 0.0 110.572 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -94.87 168.72 10.62 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.225 0.536 . . . . 0.0 112.443 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -62.41 137.98 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.289 0.566 . . . . 0.0 110.997 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.27 -2.02 83.0 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.098 -0.835 . . . . 0.0 114.294 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.56 159.85 22.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.01 1.405 . . . . 0.0 112.096 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -127.87 148.63 50.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 111.132 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 25.8 mt -138.98 158.63 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.144 1.377 . . . . 0.0 109.422 -173.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -137.83 145.95 42.89 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.138 -170.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -136.2 131.23 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.41 1.084 . . . . 0.0 109.583 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.94 -134.99 52.2 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -126.71 5.04 6.71 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.571 0.749 . . . . 0.0 112.278 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -118.57 -11.97 9.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.897 0.879 . . . . 0.0 112.874 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.55 135.7 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 119.0 0.818 . . . . 0.0 111.236 -172.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -130.47 148.69 52.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.912 1.285 . . . . 0.0 109.556 171.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -127.56 147.22 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 126.203 1.801 . . . . 0.0 108.225 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -141.23 131.01 24.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.815 0.446 . . . . 0.0 109.841 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -85.09 104.85 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 170.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -73.29 -32.49 64.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.983 -0.448 . . . . 0.0 111.009 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.78 176.12 31.5 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 146.13 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.9 t -123.05 65.85 0.98 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.599 1.56 . . . . 0.0 107.531 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.61 -119.71 5.18 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.78 -171.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.62 6.79 47.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.214 0.605 . . . . 0.0 111.095 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.92 159.13 15.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.228 1.011 . . . . 0.0 109.269 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.1 t -140.05 116.56 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.825 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.91 116.89 23.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.532 1.133 . . . . 0.0 109.724 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.97 133.46 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.463 1.105 . . . . 0.0 109.694 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.99 141.54 15.49 Favored Glycine 0 C--N 1.334 0.466 0 C-N-CA 123.651 0.644 . . . . 0.0 111.895 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.5 mt -126.28 133.24 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.163 0.985 . . . . 0.0 108.965 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -132.84 80.94 1.92 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.544 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.12 74.67 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.78 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -59.39 158.88 25.13 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.054 1.836 . . . . 0.0 111.704 169.704 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -72.81 -0.73 14.18 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.697 0.799 . . . . 0.0 112.332 169.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.0 -17.7 64.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.362 1.465 . . . . 0.0 111.9 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -122.34 144.21 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.638 1.175 . . . . 0.0 110.481 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.536 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -87.36 142.98 27.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.381 0.61 . . . . 0.0 111.927 171.177 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -144.92 98.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.852 -166.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.591 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.2 OUTLIER -147.65 165.37 30.65 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.879 0.872 . . . . 0.0 111.705 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.44 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 28.5 ptt-85 -68.48 157.02 36.79 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.085 0.554 . . . . 0.0 111.821 170.052 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.35 -44.01 68.19 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.607 0.763 . . . . 0.0 112.644 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.92 -6.31 26.64 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -102.38 -49.48 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.662 1.185 . . . . 0.0 110.173 171.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -51.02 -36.98 42.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 112.007 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.86 -20.86 63.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -81.33 -37.84 27.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 119.056 0.844 . . . . 0.0 110.681 169.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.8 -39.48 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 36.1 mm-40 -79.2 5.01 13.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.99 -8.87 59.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.421 0.688 . . . . 0.0 112.798 170.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.93 41.07 0.25 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.464 -0.631 . . . . 0.0 114.448 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -167.02 -172.99 2.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.968 0.884 . . . . 0.0 113.167 -167.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.8 m -130.34 170.95 13.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.574 1.55 . . . . 0.0 108.47 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.98 119.7 0.69 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 125.215 1.406 . . . . 0.0 111.709 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -65.67 178.78 2.02 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.479 2.119 . . . . 0.0 113.965 -169.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 123.751 0.82 . . . . 0.0 112.544 175.208 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.485 ' H1 ' H5'' ' G' ' 10' ' ' ' A' . 14.7 tpp . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.36 104.23 13.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 120.253 1.388 . . . . 0.0 108.586 174.613 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.5 136.77 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.011 0.924 . . . . 0.0 110.023 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -134.37 134.99 42.35 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.848 1.259 . . . . 0.0 109.912 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -88.69 136.31 33.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.171 -0.331 . . . . 0.0 110.342 169.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 2.7 mmp_? -133.09 137.59 46.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.329 0.652 . . . . 0.0 110.535 169.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -95.31 151.84 18.9 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.063 0.945 . . . . 0.0 108.582 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -54.91 135.1 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 119.136 0.88 . . . . 0.0 113.31 -168.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.76 -5.37 83.56 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.275 1.416 . . . . 0.0 114.082 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -85.09 169.61 13.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.312 1.556 . . . . 0.0 112.17 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -136.07 161.27 36.17 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -169.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mt -138.14 153.12 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 C-N-CA 126.422 1.889 . . . . 0.0 109.43 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -119.39 144.56 46.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.619 1.167 . . . . 0.0 111.881 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.3 mm -132.37 135.79 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.886 1.274 . . . . 0.0 108.859 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.23 -133.23 45.83 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -169.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -128.44 10.03 6.14 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.723 0.809 . . . . 0.0 111.417 169.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.39 -5.64 4.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.502 1.121 . . . . 0.0 112.602 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.61 144.56 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.772 0.829 . . . . 0.0 110.653 -173.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -136.71 149.69 48.03 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.459 1.103 . . . . 0.0 110.037 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -129.4 145.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.775 1.63 . . . . 0.0 108.503 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.5 m -137.66 132.47 33.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.165 0.439 . . . . 0.0 111.236 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.73 109.47 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 167.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.57 -34.64 23.17 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.925 -0.484 . . . . 0.0 109.742 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.02 -173.02 43.5 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 116.908 -0.133 . . . . 0.0 113.006 169.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.59 153.98 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.279 0.632 . . . . 0.0 110.665 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -142.11 93.26 2.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.472 1.109 . . . . 0.0 108.507 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -123.79 14.19 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -168.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.76 -3.41 52.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.998 0.919 . . . . 0.0 112.006 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -82.58 156.29 24.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.497 0.719 . . . . 0.0 110.851 174.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -134.41 117.18 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -78.04 114.35 16.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt -116.13 126.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.735 1.214 . . . . 0.0 109.496 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.73 142.76 18.0 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 125.189 1.376 . . . . 0.0 111.517 170.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.493 ' O ' ' HA ' ' D' ' 1' ' ' MET . 62.5 mt -130.07 133.84 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -135.9 91.64 2.72 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.949 0.5 . . . . 0.0 109.898 -173.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 154.3 81.76 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 109.995 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.98 151.6 83.77 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.609 2.206 . . . . 0.0 110.903 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -67.26 -0.99 3.92 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.453 0.701 . . . . 0.0 112.359 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -21.65 66.46 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.751 1.221 . . . . 0.0 111.314 168.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 m -127.35 154.82 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.505 1.122 . . . . 0.0 110.817 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.27 153.4 20.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.65 0.38 . . . . 0.0 111.881 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.34 131.32 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.379 0.672 . . . . 0.0 109.649 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -152.4 167.4 28.85 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.586 0.754 . . . . 0.0 110.925 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 30.3 ptt-85 -87.5 162.86 17.0 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 167.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.53 -35.53 76.23 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.074 0.55 . . . . 0.0 111.73 -169.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.26 -14.99 61.0 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.02 -35.01 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.876 0.871 . . . . 0.0 110.868 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.23 -33.78 54.32 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.797 1.239 . . . . 0.0 112.235 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -60.96 -26.14 67.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.674 0.789 . . . . 0.0 112.571 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.86 -37.03 75.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.76 . . . . 0.0 111.799 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.3 mp -69.35 -19.5 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -96.72 1.95 51.51 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.087 0.955 . . . . 0.0 112.571 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -0.14 56.16 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.897 0.879 . . . . 0.0 112.898 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.95 6.44 67.09 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 119.535 -0.591 . . . . 0.0 112.67 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 mm? 58.8 -167.94 0.15 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.684 1.593 . . . . 0.0 111.728 174.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.3 t -79.02 -17.87 54.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.988 0.515 . . . . 0.0 112.309 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.44 131.73 12.04 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.113 0.965 . . . . 0.0 110.065 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -64.15 173.67 4.82 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.915 2.41 . . . . 0.0 113.159 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 N--CA 1.454 -0.264 0 C-N-CA 123.861 0.865 . . . . 0.0 112.64 178.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.493 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 52.9 mmm . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.07 110.62 9.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 107.103 166.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.0 141.38 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.946 1.298 . . . . 0.0 109.91 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -139.64 167.16 22.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.833 1.253 . . . . 0.0 111.804 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.34 117.21 29.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.127 0.971 . . . . 0.0 109.302 165.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -114.92 140.44 49.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.325 0.65 . . . . 0.0 110.279 167.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -80.48 164.09 23.27 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 168.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 19.2 m -49.96 137.59 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.31 168.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.7 0.76 85.86 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 119.132 -0.816 . . . . 0.0 114.342 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.77 173.13 6.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.65 1.225 . . . . 0.0 112.024 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -137.01 156.03 48.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 41.4 mm -137.08 156.3 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 127.681 2.392 . . . . 0.0 108.676 -176.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -134.33 147.31 50.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.302 1.041 . . . . 0.0 111.839 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -135.06 138.59 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.515 1.126 . . . . 0.0 109.061 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.31 -134.49 52.3 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -130.05 9.98 5.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.029 0.932 . . . . 0.0 112.612 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -131.19 -6.64 3.85 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.29 136.74 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 119.036 0.835 . . . . 0.0 110.631 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -134.89 148.04 50.0 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.809 1.243 . . . . 0.0 109.668 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -130.43 141.02 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.528 1.531 . . . . 0.0 107.876 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -137.15 124.84 22.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.166 0.586 . . . . 0.0 109.608 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.4 111.32 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 57.1 mt -82.18 -29.88 31.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.474 0.709 . . . . 0.0 110.771 -171.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -178.77 41.67 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-O 120.986 0.215 . . . . 0.0 112.867 168.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.4 p -124.04 135.12 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.509 1.124 . . . . 0.0 109.827 -179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 54.6 m -132.6 71.07 1.46 Allowed 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.955 1.302 . . . . 0.0 109.956 -169.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.57 -117.51 4.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.35 -19.41 31.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.457 1.103 . . . . 0.0 110.551 172.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -77.38 150.3 35.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.665 0.786 . . . . 0.0 111.168 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -133.22 121.11 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -95.98 109.83 22.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.653 0.781 . . . . 0.0 109.01 -175.046 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -116.07 128.53 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.626 0.771 . . . . 0.0 110.057 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.32 138.5 14.14 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.22 0.914 . . . . 0.0 111.012 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 141.7 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -138.03 103.46 4.97 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.433 0.693 . . . . 0.0 109.615 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.72 156.91 75.87 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.111 0.964 . . . . 0.0 109.617 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.72 152.87 78.54 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.268 1.979 . . . . 0.0 110.726 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.56 -0.95 9.58 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.14 -19.05 64.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.785 1.234 . . . . 0.0 111.485 168.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.1 160.02 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.664 1.185 . . . . 0.0 110.218 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.26 157.04 17.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.85 125.87 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.107 0.563 . . . . 0.0 110.126 170.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -147.01 159.92 43.0 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.592 0.757 . . . . 0.0 110.482 171.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -69.32 160.53 31.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.974 -0.454 . . . . 0.0 110.592 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.14 -32.7 71.27 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.749 0.704 . . . . 0.0 112.736 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -77.76 -26.32 49.76 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.434 -0.791 . . . . 0.0 112.917 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 mm -82.52 -39.17 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.474 0.709 . . . . 0.0 110.205 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.33 -37.96 68.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.36 1.464 . . . . 0.0 111.767 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.24 -20.9 60.88 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.054 0.942 . . . . 0.0 112.879 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.24 -36.16 35.06 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.058 0.845 . . . . 0.0 111.349 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.429 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.2 mp -77.97 -18.77 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 118.81 0.732 . . . . 0.0 110.304 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -96.92 -5.44 38.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.01 -35.11 5.77 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.44 88.58 0.07 OUTLIER Glycine 0 CA--C 1.522 0.528 0 C-N-CA 125.965 1.745 . . . . 0.0 109.26 -170.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.709 ' CD1' ' H ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER -75.68 151.85 37.62 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.738 2.015 . . . . 0.0 110.02 -168.5 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.49 177.01 8.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 173.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 47.12 63.32 10.33 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 124.389 1.076 . . . . 0.0 111.745 -169.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -46.72 -42.57 24.19 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.604 2.869 . . . . 0.0 112.134 172.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 125.406 1.482 . . . . 0.0 108.289 -175.671 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -128.74 127.0 41.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.458 1.026 . . . . 0.0 110.757 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.83 142.17 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.619 1.168 . . . . 0.0 109.921 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.43 164.3 28.48 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.702 1.601 . . . . 0.0 110.735 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -138.0 97.23 3.36 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.012 0.525 . . . . 0.0 109.706 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.39 142.59 44.74 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.805 1.242 . . . . 0.0 111.635 -171.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -80.92 166.8 20.54 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.583 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.14 141.72 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 O-C-N 122.052 -0.405 . . . . 0.0 111.574 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 0.01 88.86 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 123.673 0.654 . . . . 0.0 113.764 -175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.89 173.87 8.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.561 1.18 . . . . 0.0 111.92 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -139.99 159.75 41.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.485 0.714 . . . . 0.0 112.014 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -151.25 154.39 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 126.756 2.022 . . . . 0.0 108.469 -168.27 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.97 149.77 49.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.6 mt -137.17 139.29 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.78 1.232 . . . . 0.0 109.179 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.53 -137.13 50.11 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -129.48 10.08 5.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.104 0.962 . . . . 0.0 112.144 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -131.14 -5.05 3.88 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.03 135.89 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 119.375 0.989 . . . . 0.0 110.823 -174.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 44.3 m -129.48 144.41 51.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.439 1.095 . . . . 0.0 110.078 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -126.89 138.18 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.025 1.33 . . . . 0.0 108.678 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -132.5 134.11 44.61 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.453 0.701 . . . . 0.0 110.037 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -89.11 108.83 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.02 -29.26 58.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 110.96 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -170.33 33.34 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.736 0.684 . . . . 0.0 112.902 170.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.06 158.84 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.491 0.646 . . . . 0.0 112.212 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.5 p -149.13 97.03 2.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.802 1.241 . . . . 0.0 109.22 169.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.41 -122.32 17.66 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -89.07 -17.2 29.79 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.18 0.49 . . . . 0.0 112.02 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.88 141.76 51.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.61 0.764 . . . . 0.0 109.177 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -134.16 115.46 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -85.44 122.57 29.77 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.69 135.49 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.733 0.813 . . . . 0.0 110.288 -168.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.53 143.28 15.65 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.449 1.023 . . . . 0.0 111.607 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.96 136.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.064 1.346 . . . . 0.0 109.077 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -136.9 99.01 3.91 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.779 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.31 155.28 78.84 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.657 1.183 . . . . 0.0 110.52 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.6 158.47 36.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.86 2.373 . . . . 0.0 112.057 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -73.21 -0.96 15.84 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.378 0.671 . . . . 0.0 112.744 173.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.62 -17.94 64.21 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.097 1.359 . . . . 0.0 112.34 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.55 162.45 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.066 0.947 . . . . 0.0 110.862 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.87 156.39 16.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -155.05 125.58 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.308 0.643 . . . . 0.0 110.466 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -150.35 168.16 24.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.227 1.011 . . . . 0.0 110.048 174.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 26.9 ptt85 -78.81 165.25 23.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.732 -0.605 . . . . 0.0 110.364 170.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.16 -25.47 65.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.933 0.493 . . . . 0.0 112.056 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -65.89 -45.1 83.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.038 0.935 . . . . 0.0 112.343 175.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -85.29 -30.34 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.3 0.64 . . . . 0.0 110.336 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.36 -32.52 57.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.128 0.971 . . . . 0.0 112.374 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.88 -23.86 61.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.422 0.689 . . . . 0.0 112.699 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -72.2 -22.97 61.19 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 123.272 0.629 . . . . 0.0 110.84 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -96.09 -46.49 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 124.006 0.922 . . . . 0.0 109.66 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -69.05 3.05 2.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 174.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.64 65.92 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.239 1.015 . . . . 0.0 112.548 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.61 26.05 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 115.134 0.813 . . . . 0.0 115.134 169.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -157.15 168.06 28.56 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.673 1.237 . . . . 0.0 112.238 -169.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -144.44 4.63 1.2 Allowed 'General case' 0 C--O 1.23 0.069 0 C-N-CA 123.841 0.856 . . . . 0.0 112.731 169.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.01 132.66 13.82 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 123.717 0.807 . . . . 0.0 110.395 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -65.71 -178.79 1.05 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.189 2.593 . . . . 0.0 113.964 172.15 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t0 . . . . . 0 N--CA 1.452 -0.371 0 C-N-CA 124.113 0.965 . . . . 0.0 112.692 -178.465 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.74 149.09 24.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.885 0.474 . . . . 0.0 111.67 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.27 139.61 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.919 0.888 . . . . 0.0 109.048 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.4 164.78 27.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.786 1.235 . . . . 0.0 110.115 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.76 97.44 4.83 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 169.027 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.02 137.93 42.02 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.788 1.635 . . . . 0.0 109.677 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -102.55 167.38 9.96 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 120.176 1.353 . . . . 0.0 113.645 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -55.98 135.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.526 -171.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -0.58 78.35 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.135 0.874 . . . . 0.0 114.141 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -98.91 170.52 8.68 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.524 1.162 . . . . 0.0 111.246 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -136.06 158.22 44.93 Favored 'General case' 0 C--N 1.338 0.077 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -169.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 66.0 mt -138.03 158.06 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 126.421 1.888 . . . . 0.0 108.587 -179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -131.54 147.48 52.54 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.109 0.964 . . . . 0.0 111.967 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -135.81 140.61 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.358 1.063 . . . . 0.0 109.059 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 -135.74 51.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.74 10.0 5.51 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.965 0.906 . . . . 0.0 112.341 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -130.85 -12.6 3.72 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.02 136.22 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.064 0.847 . . . . 0.0 110.743 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 56.7 m -129.72 144.37 51.26 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.58 1.152 . . . . 0.0 110.145 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -124.74 141.97 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.688 1.595 . . . . 0.0 108.394 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -139.08 132.63 30.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.034 0.534 . . . . 0.0 110.192 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -87.27 109.42 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 171.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -81.13 -28.5 35.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.432 0.693 . . . . 0.0 111.429 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.43 -172.69 35.43 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.594 0.616 . . . . 0.0 112.727 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.85 153.06 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.118 0.567 . . . . 0.0 111.41 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -140.46 89.89 2.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.66 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.53 -126.46 30.28 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -171.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.02 -17.94 54.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 173.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.74 146.42 44.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.518 0.675 . . . . 0.0 110.758 173.659 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.09 120.58 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -90.44 125.44 35.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.99 0.916 . . . . 0.0 108.87 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.48 144.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.609 0.764 . . . . 0.0 110.522 -167.276 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.55 141.17 14.39 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.357 0.979 . . . . 0.0 111.352 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.7 137.71 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.695 1.198 . . . . 0.0 109.65 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.4 108.35 10.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.745 1.218 . . . . 0.0 109.118 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.33 158.84 74.72 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.878 0.871 . . . . 0.0 111.303 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 160.87 32.74 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 122.68 2.253 . . . . 0.0 112.13 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.4 -12.7 45.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -72.44 -12.74 61.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.175 1.39 . . . . 0.0 112.529 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m -130.4 167.33 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 124.117 0.967 . . . . 0.0 111.033 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.78 162.91 13.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.892 0.877 . . . . 0.0 111.262 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.13 126.32 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.337 0.655 . . . . 0.0 110.623 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -153.15 173.26 15.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.269 1.028 . . . . 0.0 109.993 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -71.65 157.3 38.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 167.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.45 -16.38 62.33 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.16 -47.29 85.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.698 0.799 . . . . 0.0 111.457 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -82.48 -28.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.898 0.479 . . . . 0.0 110.222 -173.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.46 -33.26 65.74 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.61 0.764 . . . . 0.0 112.441 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.33 -23.17 61.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.262 0.625 . . . . 0.0 112.514 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.81 -22.93 58.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.307 0.643 . . . . 0.0 110.974 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -95.38 -46.75 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.909 0.884 . . . . 0.0 110.334 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -69.54 2.98 2.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.86 -16.61 64.42 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.142 0.977 . . . . 0.0 112.812 169.16 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.88 26.64 0.08 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 169.237 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.43 178.03 10.6 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.61 1.205 . . . . 0.0 112.153 -168.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 6.9 p -138.17 13.04 2.84 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.979 0.912 . . . . 0.0 112.752 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.63 130.15 12.16 Favored Pre-proline 0 N--CA 1.452 -0.363 0 C-N-CA 123.845 0.858 . . . . 0.0 110.246 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -60.45 147.29 94.7 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.111 2.541 . . . . 0.0 113.044 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t0 . . . . . 0 CA--C 1.532 0.25 0 C-N-CA 125.313 1.445 . . . . 0.0 113.248 171.168 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 112.156 3.956 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 112.089 3.889 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 1 O4'-C1'-N19 112.925 4.725 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.513 3.313 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . 0.457 HO2' " H5'" ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C5'-C4'-C3' 109.829 -3.781 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . 0.457 " H5'" HO2' ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 C4'-C3'-C2' 98.982 -3.718 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.909 2 O4'-C1'-N19 113.465 5.265 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . 0.408 HO2' " C5'" ' G' ' 9' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.298 1 P-O3'-C3' 127.374 6.395 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . 0.408 " C5'" HO2' ' G' ' 8' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 O5'-C5'-C4' 112.96 1.971 . 0.043 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . 0.485 H5'' ' H1 ' ' C' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 C3'-C2'-C1' 105.135 4.039 . 0.131 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 112.061 3.861 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C4'-C3' 109.038 2.527 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 C5'-C4'-C3' 110.777 -3.149 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C5'-C4'-C3' 112.032 -2.312 . 0.891 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 111.59 3.39 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 O4'-C1'-N19 111.55 3.35 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 111.513 3.313 . 0.889 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 1 O4'-C1'-N19 112.453 4.253 . 0.866 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 110.886 2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.747 3.547 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.645 4.445 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.381 3.181 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 112.997 4.797 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 112.027 3.827 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 1 C5'-C4'-C3' 109.492 -4.005 . 0.471 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 99.794 -2.906 . 0.433 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.591 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 C4'-C3'-C2' 99.04 -3.66 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 0 C5'-C4'-C3' 112.257 -2.162 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C5'-C4'-C3' 110.602 -3.265 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.443 HO2' ' P ' ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 C5'-C4'-C3' 109.399 -4.067 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.443 ' P ' HO2' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.163 1 P-O3'-C3' 125.284 4.654 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.298 3.098 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.259 4.059 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C4'-C3'-C2' 99.035 -3.665 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.386 -3.314 . 0.376 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 O4'-C1'-N19 111.462 3.262 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 C4'-C3'-C2' 100.446 -2.254 . 0.057 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C5'-C4'-C3' 110.069 -3.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.416 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.403 0 C3'-C2'-C1' 104.063 2.848 . 0.221 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.416 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.179 1 O4'-C1'-N19 113.212 5.012 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 1 C5'-C4'-C3' 109.368 -4.088 . 0.037 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 O4'-C1'-N19 111.671 3.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 2 C5'-C4'-C3' 109.0 -4.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 1 O4'-C1'-N19 112.874 4.674 . 0.03 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 O4'-C1'-N19 112.408 4.208 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C4'-C3'-C2' 99.837 -2.863 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C1'-N19 112.12 3.92 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.502 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.449 3.277 . 0.475 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.502 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 99.264 -3.436 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.159 2.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 C5'-C4'-C3' 111.173 -2.885 . 0.409 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . 0.412 ' C8 ' ' CE ' ' B' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.415 -3.201 4 C3'-C2'-C1' 108.019 7.244 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 1 P-O3'-C3' 127.231 6.276 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.302 4.102 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C4'-C3'-C2' 100.088 -2.612 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 O4'-C1'-N19 111.063 2.863 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 1 O4'-C1'-N19 114.351 6.151 . 0.441 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.261 3.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 112.009 3.809 . 0.221 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 111.672 3.472 . 0.228 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 112.033 3.833 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 112.06 3.86 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.487 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 110.644 2.444 . 0.313 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.487 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 C4'-C3'-C2' 98.976 -3.724 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C5'-C4'-C3' 112.107 -2.262 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.489 0 C5'-C4'-O4' 112.67 2.478 . 0.146 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 2 C5'-C4'-C3' 104.952 -7.032 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 1 P-O3'-C3' 126.228 5.44 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 110.958 2.758 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 O4'-C1'-N19 112.43 4.23 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 111.01 2.81 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.383 3.183 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.63 114.15 25.78 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.442 0.697 . . . . 0.0 109.813 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.14 136.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.527 0.731 . . . . 0.0 109.261 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.4 mt -132.04 159.35 39.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.137 0.975 . . . . 0.0 109.57 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.4 m -120.1 100.89 7.47 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.83 133.78 54.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.387 0.675 . . . . 0.0 110.736 -168.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -98.01 155.69 16.99 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -48.4 126.64 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.53 0.732 . . . . 0.0 110.815 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.96 -1.86 74.98 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.563 1.078 . . . . 0.0 114.232 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -98.33 168.97 9.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.75 1.275 . . . . 0.0 111.328 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -134.12 151.44 51.37 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -168.318 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.7 mm -112.74 156.7 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 126.092 1.757 . . . . 0.0 109.772 170.508 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -129.86 141.28 50.84 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.501 1.121 . . . . 0.0 110.579 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -135.27 131.11 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.384 1.074 . . . . 0.0 109.582 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.08 -128.28 25.4 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -128.75 1.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.986 0.914 . . . . 0.0 111.852 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -147.14 -3.56 0.57 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.61 135.31 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 119.351 0.978 . . . . 0.0 110.589 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -130.76 145.31 51.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.903 0.881 . . . . 0.0 109.629 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -126.89 144.25 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.896 1.278 . . . . 0.0 108.448 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.3 m -137.26 134.57 36.31 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.568 0.622 . . . . 0.0 110.638 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.97 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.06 -28.96 67.0 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.95 -0.469 . . . . 0.0 110.145 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.39 -167.93 40.2 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 117.753 0.251 . . . . 0.0 113.094 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 155.0 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.764 0.826 . . . . 0.0 111.235 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -130.45 60.97 1.61 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 110.29 -179.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 -124.0 6.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -171.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -76.4 4.11 9.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.731 0.812 . . . . 0.0 111.659 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -98.91 163.38 12.62 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.214 1.006 . . . . 0.0 112.391 171.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.76 129.45 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.91 1.684 . . . . 0.0 108.556 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 47.6 mtm-85 -111.14 101.93 10.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.112 0.965 . . . . 0.0 110.188 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.96 128.38 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.402 1.481 . . . . 0.0 109.459 -172.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.62 140.72 15.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 169.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -115.09 134.14 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.343 1.457 . . . . 0.0 108.32 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -124.85 74.89 1.38 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.384 1.074 . . . . 0.0 108.953 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.15 154.67 41.93 Favored Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 125.235 1.414 . . . . 0.0 110.625 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.08 157.01 47.04 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.716 2.277 . . . . 0.0 110.535 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -70.2 -1.8 11.28 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.35 -22.62 61.88 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.967 0.907 . . . . 0.0 111.881 169.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.5 144.09 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.885 0.85 . . . . 0.0 111.67 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 142.89 27.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.837 0.855 . . . . 0.0 110.762 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -133.78 127.59 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.974 0.509 . . . . 0.0 110.521 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -153.47 166.45 32.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.022 0.929 . . . . 0.0 110.061 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -97.47 163.55 12.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 170.422 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.16 -32.46 71.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.083 0.953 . . . . 0.0 112.287 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.71 -13.91 60.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.161 0.984 . . . . 0.0 112.734 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.77 -26.99 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.977 1.311 . . . . 0.0 111.215 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.0 -30.95 71.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.282 -0.886 . . . . 0.0 110.582 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.06 -16.71 61.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.915 0.886 . . . . 0.0 111.898 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -78.55 -30.17 46.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.198 0.999 . . . . 0.0 111.255 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -71.92 -53.05 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.976 0.911 . . . . 0.0 109.404 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 86.9 mm-40 -77.18 5.15 8.88 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.917 0.887 . . . . 0.0 111.652 -175.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -10.92 51.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.506 0.723 . . . . 0.0 112.826 169.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.7 18.37 4.41 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.164 0.887 . . . . 0.0 113.287 174.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -123.07 172.17 8.74 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.579 1.152 . . . . 0.0 111.656 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.6 p -143.15 165.95 26.0 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.248 1.019 . . . . 0.0 110.605 173.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.43 152.43 94.66 Favored Pre-proline 0 N--CA 1.454 -0.268 0 C-N-CA 123.076 0.55 . . . . 0.0 111.534 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.26 164.47 35.64 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.291 2.661 . . . . 0.0 112.117 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.1 t70 . . . . . 0 N--CA 1.453 -0.297 0 C-N-CA 124.847 1.259 . . . . 0.0 112.579 -178.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 119.498 -0.287 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.34 121.65 43.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 168.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.4 mt -117.11 141.11 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -165.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -135.16 137.86 43.13 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.866 1.266 . . . . 0.0 110.941 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 95.8 m -119.62 106.53 12.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 108.963 176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -123.8 173.05 8.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.626 1.57 . . . . 0.0 109.421 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -110.35 171.64 7.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.526 0.603 . . . . 0.0 112.59 175.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -63.01 136.5 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 121.248 0.547 . . . . 0.0 110.959 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.45 78.47 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.252 -0.749 . . . . 0.0 114.173 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.39 162.64 14.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.648 1.224 . . . . 0.0 111.912 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -130.43 152.76 49.48 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.455 0.702 . . . . 0.0 112.789 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.0 mt -141.02 157.21 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.866 1.666 . . . . 0.0 109.919 -173.522 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.92 145.24 41.84 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.61 0.764 . . . . 0.0 112.307 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 128.63 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.47 1.108 . . . . 0.0 109.618 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.07 52.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -126.53 4.35 6.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.495 0.718 . . . . 0.0 112.311 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -115.68 -14.08 11.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.866 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.09 135.58 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.141 0.882 . . . . 0.0 111.272 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.1 m -130.81 147.15 52.43 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.914 1.286 . . . . 0.0 109.739 171.235 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -127.2 143.23 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.731 1.612 . . . . 0.0 108.4 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -138.47 130.75 28.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.752 0.421 . . . . 0.0 109.905 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.65 106.12 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.11 -31.63 58.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.169 -0.332 . . . . 0.0 110.811 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.62 178.88 35.92 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.6 155.12 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -132.14 74.68 1.6 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.651 1.18 . . . . 0.0 108.52 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.74 -120.48 6.03 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.96 6.33 48.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.349 0.66 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -98.84 154.33 18.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.938 0.895 . . . . 0.0 109.759 170.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 t -139.23 115.12 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -170.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.36 115.2 21.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.492 1.117 . . . . 0.0 109.912 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.03 130.22 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.508 1.123 . . . . 0.0 109.581 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.9 139.28 14.48 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.6 mt -124.84 131.41 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.864 0.866 . . . . 0.0 108.908 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -131.05 82.5 2.05 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.454 -168.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.35 157.3 76.64 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.841 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_endo -60.47 157.14 37.74 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.682 1.588 . . . . 0.0 110.168 168.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.54 -0.78 18.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 122.164 0.983 . . . . 0.0 111.895 173.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.83 -16.84 64.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.928 1.691 . . . . 0.0 111.414 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.3 m -120.28 144.12 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.807 1.243 . . . . 0.0 109.644 174.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.515 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -87.31 142.64 27.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.406 0.622 . . . . 0.0 111.53 172.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 t -143.75 97.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.557 -166.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.564 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -145.82 165.5 28.69 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.213 1.005 . . . . 0.0 111.164 179.585 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 34.3 ptt-85 -70.39 160.62 31.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.387 0.275 . . . . 0.0 111.529 169.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -58.5 -40.13 81.99 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.851 -0.531 . . . . 0.0 112.331 -173.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.1 0.66 5.74 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -109.03 -50.69 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.426 1.09 . . . . 0.0 109.74 170.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -50.69 -37.25 40.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.009 1.324 . . . . 0.0 112.278 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.55 -19.61 63.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -175.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -82.68 -38.59 23.19 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.704 0.684 . . . . 0.0 110.842 169.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.8 mt -66.07 -38.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.302 0.641 . . . . 0.0 109.371 -174.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 34.3 mm-40 -79.07 5.11 12.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -88.8 -9.37 52.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.59 41.29 0.17 Allowed Glycine 0 C--N 1.339 0.712 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.823 169.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.74 -175.09 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.078 0.939 . . . . 0.0 112.993 -168.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 10.5 m -126.53 173.38 9.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.418 1.487 . . . . 0.0 108.318 167.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.86 124.39 0.67 Allowed Pre-proline 0 N--CA 1.454 -0.247 0 C-N-CA 124.761 1.224 . . . . 0.0 111.835 177.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -61.08 -178.76 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.693 2.929 . . . . 0.0 113.565 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 123.861 0.864 . . . . 0.0 112.909 -179.048 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.62 106.28 13.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 167.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.39 137.13 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 124.283 1.033 . . . . 0.0 109.743 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -133.11 140.06 47.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.613 1.165 . . . . 0.0 110.226 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -101.02 143.31 31.31 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -139.14 140.8 38.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.439 0.696 . . . . 0.0 110.271 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -76.13 157.24 33.03 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 168.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.2 134.68 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 O-C-N 121.375 -0.828 . . . . 0.0 111.538 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.5 -1.47 87.27 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.639 1.114 . . . . 0.0 113.854 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -86.26 173.17 9.93 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.211 1.506 . . . . 0.0 111.774 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -135.15 157.24 47.43 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -166.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -138.38 157.17 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 127.391 2.277 . . . . 0.0 109.074 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -130.92 146.65 52.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 125.209 1.404 . . . . 0.0 111.41 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -135.17 132.7 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.111 0.964 . . . . 0.0 109.814 174.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -134.44 51.32 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -130.07 10.12 5.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.006 0.922 . . . . 0.0 111.843 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -123.9 -9.9 7.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.432 1.093 . . . . 0.0 113.064 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.39 138.0 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.909 0.777 . . . . 0.0 110.909 -172.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 14.7 m -132.84 147.0 52.3 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.269 1.027 . . . . 0.0 109.656 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -129.22 140.74 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.094 1.358 . . . . 0.0 108.857 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -133.69 132.43 40.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.939 0.496 . . . . 0.0 110.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -92.69 112.51 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 169.321 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mt -84.67 -43.8 14.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.683 -0.636 . . . . 0.0 110.321 -170.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.05 -177.63 47.72 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.443 -0.408 . . . . 0.0 113.242 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.96 150.58 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 123.159 0.583 . . . . 0.0 111.079 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -140.53 106.64 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.83 1.252 . . . . 0.0 108.078 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -119.89 15.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -169.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -97.87 -7.29 30.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.789 0.835 . . . . 0.0 113.004 171.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -74.57 151.76 39.38 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.695 0.759 . . . . 0.0 110.926 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.6 t -133.64 114.36 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -77.82 112.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -117.14 132.44 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 125.141 1.376 . . . . 0.0 109.097 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.21 142.25 15.54 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 124.353 0.978 . . . . 0.0 112.253 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' D' ' 1' ' ' MET . 72.7 mt -126.2 126.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 108.862 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -120.29 101.58 7.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.402 0.681 . . . . 0.0 110.039 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.86 156.98 72.47 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.979 0.911 . . . . 0.0 110.665 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.83 153.97 72.47 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.105 2.537 . . . . 0.0 111.51 172.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -67.47 -0.69 3.95 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.71 -21.64 66.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.19 0.996 . . . . 0.0 111.258 168.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -126.25 147.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.449 1.099 . . . . 0.0 110.496 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.28 19.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.036 -0.415 . . . . 0.0 111.243 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -135.69 131.82 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.006 0.523 . . . . 0.0 109.79 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -153.34 157.13 39.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.532 0.733 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -66.26 152.9 43.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.22 -27.71 69.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.23 0.923 . . . . 0.0 111.629 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.76 -26.22 66.01 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.849 0.86 . . . . 0.0 113.217 173.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.55 -29.69 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.116 0.966 . . . . 0.0 110.638 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.14 -41.94 80.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.187 -0.946 . . . . 0.0 111.124 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.07 -25.54 67.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.319 0.648 . . . . 0.0 112.473 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.64 -38.68 62.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.567 0.747 . . . . 0.0 111.565 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp -65.14 -23.33 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 118.565 0.621 . . . . 0.0 110.395 172.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -87.76 -5.01 58.85 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.36 -13.05 30.77 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.858 0.863 . . . . 0.0 112.52 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.03 139.71 7.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.025 0.821 . . . . 0.0 111.779 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.87 14.84 0.64 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.908 0.883 . . . . 0.0 112.48 -169.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 10.8 m -61.9 -25.79 67.78 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.493 0.717 . . . . 0.0 111.396 -176.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.32 93.58 47.31 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 124.62 1.168 . . . . 0.0 108.396 167.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.99 -37.0 99.52 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.23 2.62 . . . . 0.0 113.11 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 123.93 0.892 . . . . 0.0 110.781 -174.756 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.456 ' HA ' ' O ' ' C' ' 34' ' ' ILE 0.292 4.0 tpp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -125.47 104.69 8.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.587 2.355 . . . . 0.0 107.905 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.402 HD12 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -94.51 143.82 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.532 1.533 . . . . 0.0 110.268 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.72 164.44 29.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.707 1.603 . . . . 0.0 111.593 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.16 114.77 24.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.884 0.873 . . . . 0.0 108.857 165.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -118.67 144.08 46.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.599 0.36 . . . . 0.0 110.218 169.434 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -91.22 164.88 13.73 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 123.032 0.207 . . . . 0.0 111.125 173.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -55.51 140.86 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.067 0.46 . . . . 0.0 111.765 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 -1.16 89.06 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.134 0.873 . . . . 0.0 114.067 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -90.59 171.26 9.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.756 1.278 . . . . 0.0 112.494 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -137.08 161.01 37.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.717 0.807 . . . . 0.0 112.46 -169.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 12.3 mt -152.41 157.83 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 C-N-CA 127.29 2.236 . . . . 0.0 108.635 -169.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -134.39 149.26 50.79 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.904 1.282 . . . . 0.0 111.485 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -134.22 137.55 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.168 1.387 . . . . 0.0 108.927 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -134.78 52.23 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -125.12 4.74 7.88 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.735 0.814 . . . . 0.0 112.053 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.78 -5.02 2.48 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -172.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.47 136.28 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 118.803 0.729 . . . . 0.0 110.427 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 28.9 m -129.75 143.17 50.69 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.531 1.133 . . . . 0.0 109.598 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 mm -126.48 140.33 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.65 1.18 . . . . 0.0 108.612 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -133.45 130.97 39.36 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.627 0.771 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.27 106.03 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.37 -30.56 47.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.366 0.667 . . . . 0.0 110.623 -171.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -179.23 40.13 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 112.616 -0.194 . . . . 0.0 112.616 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -108.03 159.8 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.027 0.442 . . . . 0.0 110.353 168.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -141.13 79.7 1.7 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.503 1.121 . . . . 0.0 108.581 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -111.76 3.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -96.78 -9.57 28.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.01 0.924 . . . . 0.0 110.934 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.76 153.52 24.08 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.813 0.816 . . . . 0.0 111.405 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.33 120.22 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -94.35 110.32 22.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.221 1.008 . . . . 0.0 108.732 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.28 127.25 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.79 0.836 . . . . 0.0 109.699 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.81 134.7 12.31 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.74 142.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.763 0.825 . . . . 0.0 108.883 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -138.03 106.44 5.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.462 0.705 . . . . 0.0 109.351 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.58 156.43 74.81 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 124.402 1.081 . . . . 0.0 109.623 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.25 151.38 82.6 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.242 1.961 . . . . 0.0 110.757 170.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -70.16 -1.04 8.96 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.9 -20.72 65.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.873 1.269 . . . . 0.0 111.467 168.342 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -127.02 160.02 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.633 1.173 . . . . 0.0 110.705 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.13 16.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.93 126.37 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 O-C-N 121.878 -0.514 . . . . 0.0 109.912 168.453 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -149.57 166.44 29.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.853 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.85 158.75 24.27 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.71 -34.74 73.3 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.914 0.779 . . . . 0.0 110.718 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -48.05 -39.8 21.1 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 125.335 1.454 . . . . 0.0 112.555 170.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -98.5 -36.06 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.775 1.23 . . . . 0.0 110.538 -169.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.76 -40.51 75.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.167 0.587 . . . . 0.0 110.638 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.1 -20.98 66.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.947 0.899 . . . . 0.0 112.664 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -83.8 -39.49 19.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.414 1.086 . . . . 0.0 112.039 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 87.9 mt -73.72 -37.95 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -80.25 2.09 25.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.818 0.847 . . . . 0.0 111.167 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.8 -10.9 60.14 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.934 0.894 . . . . 0.0 112.39 173.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.53 30.46 0.55 Allowed Glycine 0 C--N 1.338 0.683 0 CA-C-O 119.038 -0.868 . . . . 0.0 114.389 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -156.67 -173.62 4.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.833 1.317 . . . . 0.0 113.662 -167.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 29.4 m -132.11 159.02 40.11 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.875 1.67 . . . . 0.0 107.348 167.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.12 133.2 12.25 Favored Pre-proline 0 N--CA 1.454 -0.252 0 CA-C-N 118.122 0.419 . . . . 0.0 111.916 -169.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -55.47 170.38 0.87 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.891 3.061 . . . . 0.0 114.251 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 124.197 0.999 . . . . 0.0 113.051 -172.721 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 119.421 -0.323 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.94 136.24 53.11 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.214 0.606 . . . . 0.0 110.566 176.415 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mm -115.66 125.21 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.484 1.114 . . . . 0.0 109.12 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.39 155.37 33.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.886 1.674 . . . . 0.0 110.097 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -136.12 112.12 9.62 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 165.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -132.53 141.28 48.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.464 1.106 . . . . 0.0 110.292 -170.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -89.38 172.05 9.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -60.7 139.27 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.016 0.436 . . . . 0.0 111.845 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.6 -3.01 87.4 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.155 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -83.96 171.69 12.77 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.9 1.35 . . . . 0.0 111.728 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.92 156.67 47.63 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.755 0.822 . . . . 0.0 112.219 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -141.95 156.39 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 125.998 1.719 . . . . 0.0 108.265 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -136.33 149.73 48.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.322 -0.861 . . . . 0.0 112.919 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.8 mt -136.84 141.03 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.668 1.187 . . . . 0.0 109.007 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -138.54 48.13 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -126.5 10.06 7.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.311 173.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -133.56 -5.39 2.9 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.84 135.77 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.375 0.988 . . . . 0.0 110.933 -173.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -128.3 146.4 50.77 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.38 1.072 . . . . 0.0 110.384 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -126.45 140.52 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.919 1.688 . . . . 0.0 108.22 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 42.1 m -136.6 132.28 34.9 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.133 0.573 . . . . 0.0 109.951 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -86.14 109.91 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.32 -28.26 47.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.921 0.489 . . . . 0.0 110.862 -175.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.05 -172.89 33.39 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 123.405 0.526 . . . . 0.0 113.463 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -119.94 158.83 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 123.617 0.767 . . . . 0.0 112.05 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.1 p -148.47 89.98 1.75 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.94 1.296 . . . . 0.0 109.409 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.32 -112.04 3.97 Favored Glycine 0 CA--C 1.525 0.712 0 O-C-N 121.48 -0.763 . . . . 0.0 111.63 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -93.7 -19.25 21.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.676 0.738 . . . . 0.0 111.636 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.31 146.23 47.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.457 0.646 . . . . 0.0 110.197 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.63 115.23 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -85.96 124.26 32.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -131.0 135.88 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.609 0.764 . . . . 0.0 110.255 -168.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.09 146.15 16.03 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.675 1.131 . . . . 0.0 111.729 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.2 mt -136.59 134.89 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.211 1.404 . . . . 0.0 108.834 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -135.64 101.16 4.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -173.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.98 155.63 76.19 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.773 1.229 . . . . 0.0 110.407 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.92 158.53 42.62 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.934 2.422 . . . . 0.0 111.901 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -73.8 -0.95 17.35 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 172.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.82 -19.52 65.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.561 1.145 . . . . 0.0 111.702 168.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.48 161.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.352 1.061 . . . . 0.0 110.736 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.18 157.36 15.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.95 126.96 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 110.474 169.38 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -151.49 175.48 12.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.421 1.088 . . . . 0.0 110.212 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -72.9 162.91 28.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.882 -0.511 . . . . 0.0 110.218 169.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -63.84 -22.46 66.93 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.532 0.333 . . . . 0.0 111.526 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.24 -40.37 77.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.971 1.309 . . . . 0.0 111.417 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.05 -33.69 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.674 0.789 . . . . 0.0 110.218 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -53.91 -38.17 64.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.057 0.943 . . . . 0.0 112.288 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.11 -21.87 64.12 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.043 0.937 . . . . 0.0 112.892 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -83.74 -46.07 12.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.38 -22.97 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.828 0.851 . . . . 0.0 111.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -85.4 -32.5 22.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 167.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.95 -25.4 10.75 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -167.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -144.02 -11.13 0.35 Allowed Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.729 1.157 . . . . 0.0 112.633 -171.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.39 -173.33 0.14 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 128.492 2.717 . . . . 0.0 112.887 169.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -79.76 -13.57 59.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -174.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.12 131.06 10.33 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.226 1.01 . . . . 0.0 109.938 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -63.88 177.78 1.71 Allowed 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 123.32 2.68 . . . . 0.0 113.971 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t0 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.012 0.925 . . . . 0.0 111.831 171.378 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 111.06 0.022 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 mt -98.15 148.23 23.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 111.547 175.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.57 138.46 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.593 0.757 . . . . 0.0 109.417 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.57 165.02 26.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.872 1.269 . . . . 0.0 110.296 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.16 102.94 7.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 168.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . 0.417 ' CZ ' ' HA ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -108.3 134.82 50.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 125.387 1.475 . . . . 0.0 110.943 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.51 165.91 11.77 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 119.438 1.017 . . . . 0.0 113.571 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . 0.404 ' CG1' ' HA2' ' F' ' 24' ' ' GLY . 9.1 m -57.36 136.27 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.508 -170.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.15 78.82 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.247 0.927 . . . . 0.0 113.795 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.6 168.33 9.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.667 1.233 . . . . 0.0 111.621 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.3 m -132.74 159.61 39.2 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 59.0 mt -138.56 159.06 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 127.24 2.216 . . . . 0.0 107.752 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -135.14 152.11 51.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.266 -0.896 . . . . 0.0 112.66 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.9 mt -137.12 143.51 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.694 1.198 . . . . 0.0 108.891 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.96 -136.36 51.3 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -125.63 10.04 7.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.283 1.033 . . . . 0.0 111.778 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.83 -9.69 1.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.21 136.25 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.019 0.827 . . . . 0.0 110.561 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -128.72 142.2 51.08 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.482 1.113 . . . . 0.0 110.229 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -124.07 142.94 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.613 1.565 . . . . 0.0 108.285 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 28.9 m -139.1 131.44 28.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.014 0.526 . . . . 0.0 110.084 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.9 115.69 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -88.55 -28.0 21.03 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 121.689 -0.632 . . . . 0.0 111.431 -171.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . 0.404 ' HA2' ' CG1' ' F' ' 8' ' ' VAL . . . 157.78 -178.44 34.08 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 123.262 0.458 . . . . 0.0 113.251 173.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.9 157.34 35.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 CA-C-N 117.273 0.536 . . . . 0.0 112.136 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -150.04 100.75 2.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.565 1.146 . . . . 0.0 109.379 169.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.77 -108.01 2.36 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.871 -0.518 . . . . 0.0 111.888 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -101.24 -18.75 15.99 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.426 0.613 . . . . 0.0 111.84 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -72.16 144.12 48.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.561 0.696 . . . . 0.0 110.289 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.85 116.75 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -86.95 129.67 34.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.622 0.769 . . . . 0.0 109.299 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.61 146.82 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.576 1.15 . . . . 0.0 110.322 -167.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.91 140.91 15.53 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.467 1.032 . . . . 0.0 111.22 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.17 133.06 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.303 1.041 . . . . 0.0 109.238 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -134.98 105.79 6.53 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.307 0.643 . . . . 0.0 109.661 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.39 158.49 75.08 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.06 0.944 . . . . 0.0 111.448 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -64.99 162.37 32.82 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.031 2.487 . . . . 0.0 112.459 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.05 -4.67 26.21 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.493 0.717 . . . . 0.0 112.61 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.55 -18.12 63.63 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.867 1.267 . . . . 0.0 112.514 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.03 168.01 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.986 0.914 . . . . 0.0 111.275 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.57 162.59 12.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.628 0.771 . . . . 0.0 111.885 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.01 117.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.639 0.776 . . . . 0.0 110.561 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -154.46 173.58 16.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.91 0.884 . . . . 0.0 110.548 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -79.81 164.11 23.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.836 -0.54 . . . . 0.0 110.281 168.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.05 0.54 . . . . 0.0 112.366 -172.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.24 -45.56 90.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.018 0.927 . . . . 0.0 111.44 174.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.45 -28.72 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.616 0.766 . . . . 0.0 110.009 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.52 -37.69 58.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.868 0.867 . . . . 0.0 112.326 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -60.94 -25.26 66.67 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.666 1.186 . . . . 0.0 113.079 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -75.15 -22.43 58.14 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 127.122 2.169 . . . . 0.0 112.548 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 16.5 mt -94.12 -63.0 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.625 1.17 . . . . 0.0 113.418 -168.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.71 2.95 27.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -168.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 3.99 3.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.84 37.94 3.78 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 123.988 0.804 . . . . 0.0 111.791 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.04 -45.92 1.02 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.555 0.742 . . . . 0.0 112.994 -166.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m 45.08 55.3 6.34 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 126.027 1.731 . . . . 0.0 112.58 -170.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.55 88.02 0.13 Allowed Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.518 1.527 . . . . 0.0 112.376 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.66 170.76 4.11 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.292 2.661 . . . . 0.0 114.158 -171.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 124.592 1.157 . . . . 0.0 112.796 178.665 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O4'-C1'-N19 112.07 3.87 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.614 3.414 . 0.329 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.708 4.508 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.805 3.605 . 0.213 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.442 0 C3'-C2'-C1' 104.695 3.55 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 2 C5'-C4'-C3' 107.964 -5.024 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 O4'-C1'-N19 112.327 4.127 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C5'-C4'-C3' 111.518 -2.655 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 O5'-C5'-C4' 113.588 2.42 . 0.017 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C3'-C2'-C1' 104.637 3.486 . 0.26 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 O4'-C1'-N19 111.344 3.144 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-C3' 112.075 -2.284 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 1 C5'-C4'-C3' 108.667 -4.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C4'-C3'-C2' 100.429 -2.271 . 0.472 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 111.591 3.391 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.588 3.388 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C5'-C4'-C3' 109.552 -3.966 . 0.851 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C5'-C4'-C3' 111.091 -2.939 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 3 C5'-C4'-O4' 116.658 5.327 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . 0.401 HO2' " C5'" ' G' ' 21' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.302 2 O4'-C1'-N19 113.66 5.46 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . 0.401 " C5'" HO2' ' G' ' 20' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 O4'-C1'-N19 112.576 4.376 . 0.44 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 O4'-C1'-N19 110.97 2.77 . 0.118 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 1 O4'-C1'-N19 112.641 4.441 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 O4'-C1'-N19 112.147 3.947 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 N19-C1'-C2' 108.821 -2.862 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 O4'-C1'-N19 111.106 2.906 . 0.488 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.564 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C5'-C4'-C3' 112.142 -2.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.35 0 C5'-C4'-C3' 112.357 -2.095 . 0.036 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C5'-C4'-C3' 111.07 -2.953 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.85 3.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C4'-C3'-C2' 100.296 -2.404 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 O4'-C1'-N19 111.405 3.205 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 112.261 4.061 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 99.296 -3.404 . 0.53 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 99.414 -3.286 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 111.433 3.233 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . 0.416 HO2' ' P ' ' G' ' 38' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.348 3.148 . 0.262 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . 0.416 ' P ' HO2' ' G' ' 37' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 O4'-C1'-N19 110.942 2.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.407 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.145 2.939 . 0.129 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.407 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O4'-C1'-N19 112.697 4.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.462 1 C5'-C4'-C3' 108.784 -4.477 . 0.038 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 O4'-C1'-N19 111.589 3.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 O4'-C1'-N19 111.931 3.731 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 1 O4'-C1'-N19 113.122 4.922 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 2 O4'-C1'-N19 112.717 4.517 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 O4'-C1'-N19 111.22 3.02 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 1 O4'-C1'-N19 112.242 4.042 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.475 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C3'-C2'-C1' 104.319 3.132 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.475 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C3'-C2'-C1' 104.091 2.879 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.256 -2.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.38 0 C5'-C4'-C3' 111.786 -2.476 . 0.449 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O5'-C5'-C4' 117.74 5.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 110.254 2.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.223 4.023 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C4'-C3'-C2' 100.03 -2.67 . 0.465 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.465 3.265 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.348 0 O4'-C1'-N19 111.291 3.091 . 0.25 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 111.619 3.419 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 112.044 3.844 . 0.117 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.517 3.317 . 0.347 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 112.347 4.147 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 O4'-C1'-N19 111.534 3.334 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.449 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C5'-C4'-C3' 109.555 -3.963 . 0.639 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.449 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 99.382 -3.318 . 0.104 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.183 2.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.558 0 C5'-C4'-C3' 111.377 -2.749 . 0.153 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 1 C3'-C2'-C1' 97.119 -4.867 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 110.389 -3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-O4' 112.846 2.604 . 0.922 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 O4'-C1'-N19 112.207 4.007 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C4'-C3'-C2' 99.974 -2.726 . 0.309 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.067 2.867 . 0.616 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 119.16 -0.448 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.47 112.81 24.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.751 0.82 . . . . 0.0 109.781 -175.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.01 136.5 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.794 0.838 . . . . 0.0 109.484 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt -132.23 161.11 34.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.303 1.041 . . . . 0.0 110.101 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.0 m -124.64 100.93 6.87 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.131 0.972 . . . . 0.0 108.484 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -113.39 135.14 54.19 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.592 0.757 . . . . 0.0 109.999 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -98.43 159.08 15.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.298 0.499 . . . . 0.0 110.172 -176.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.5 t -46.98 129.83 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.58 0.752 . . . . 0.0 111.044 -179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.13 3.94 67.19 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.034 0.826 . . . . 0.0 114.185 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -111.74 169.38 8.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.346 1.073 . . . . 0.0 111.097 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 m -134.6 152.97 52.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.481 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 8.0 mm -113.36 155.61 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 125.955 1.702 . . . . 0.0 110.058 169.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -129.25 138.56 51.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.258 1.023 . . . . 0.0 110.706 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -133.01 130.36 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.089 0.956 . . . . 0.0 109.675 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.59 -130.02 28.28 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.07 -2.61 7.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.926 0.89 . . . . 0.0 112.46 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.34 -21.47 2.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -169.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.18 137.48 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 118.817 0.735 . . . . 0.0 110.342 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -136.64 144.73 44.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.692 0.797 . . . . 0.0 109.396 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -127.63 140.12 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.419 1.087 . . . . 0.0 108.307 -176.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -135.6 134.12 38.98 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.543 0.61 . . . . 0.0 110.402 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -84.78 97.42 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -23.91 61.6 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.94 -0.475 . . . . 0.0 110.351 -176.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.77 -173.33 42.74 Favored Glycine 0 C--N 1.339 0.699 0 CA-C-N 118.336 0.516 . . . . 0.0 113.785 168.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.67 157.99 43.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 123.866 0.866 . . . . 0.0 112.067 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -145.3 62.14 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.566 1.546 . . . . 0.0 110.033 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.88 -117.69 5.78 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.85 -15.0 62.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.271 0.628 . . . . 0.0 111.104 173.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -98.92 153.76 18.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.346 0.593 . . . . 0.0 111.957 -176.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -139.49 117.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.467 1.507 . . . . 0.0 109.053 -168.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.16 101.9 13.92 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 121.947 -0.471 . . . . 0.0 110.54 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.9 mt -109.41 132.11 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.721 1.208 . . . . 0.0 109.694 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 137.03 13.51 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.931 0.776 . . . . 0.0 111.327 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.0 mt -109.93 131.0 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.164 1.385 . . . . 0.0 108.47 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -118.8 74.92 0.99 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.644 1.177 . . . . 0.0 109.506 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.41 152.83 44.18 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.74 171.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.6 155.79 49.69 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.569 2.179 . . . . 0.0 110.555 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -69.58 -3.9 16.88 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.04 -23.82 64.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.773 0.829 . . . . 0.0 111.768 169.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -116.1 144.02 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 122.074 0.94 . . . . 0.0 111.688 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.11 142.63 32.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.0 0.92 . . . . 0.0 110.591 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 m -134.2 130.8 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.734 0.414 . . . . 0.0 110.295 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -151.95 160.63 43.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.585 0.754 . . . . 0.0 110.885 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 164.73 15.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.231 168.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.95 -26.87 66.17 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -167.254 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -75.75 -1.74 26.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.712 -0.617 . . . . 0.0 111.747 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.92 -33.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.121 0.968 . . . . 0.0 111.596 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -59.46 -33.35 71.18 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.37 0.986 . . . . 0.0 110.664 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.64 -13.5 59.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.516 0.726 . . . . 0.0 112.156 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -79.63 -34.04 40.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.77 0.828 . . . . 0.0 111.098 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.6 mt -65.48 -50.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 0.0 109.05 172.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -84.05 5.12 27.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.405 0.682 . . . . 0.0 112.108 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.22 68.24 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.492 0.317 . . . . 0.0 111.046 168.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.51 11.6 0.04 OUTLIER Glycine 0 CA--C 1.524 0.617 0 CA-C-O 119.264 -0.742 . . . . 0.0 113.707 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 22.5 mt -88.28 90.68 8.49 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.803 1.302 . . . . 0.0 108.744 -171.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.1 p 179.91 -46.38 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 126.421 1.888 . . . . 0.0 108.132 -169.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.8 158.88 44.32 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 125.403 1.481 . . . . 0.0 111.594 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.57 155.46 59.23 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.344 2.696 . . . . 0.0 111.694 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 124.42 1.088 . . . . 0.0 111.868 170.167 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.92 116.56 32.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.62 140.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.989 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt -135.61 136.11 40.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.383 1.073 . . . . 0.0 109.058 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.3 m -98.04 100.71 12.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.416 ' HE ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 tpm_? -95.95 172.99 7.66 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.604 1.561 . . . . 0.0 108.734 -168.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -127.27 160.69 30.54 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.425 1.011 . . . . 0.0 111.405 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -58.61 129.47 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 121.59 0.709 . . . . 0.0 111.307 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.28 -7.28 66.46 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-N 115.054 -0.976 . . . . 0.0 114.508 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.416 ' CD ' ' HE ' ' B' ' 6' ' ' ARG . 29.9 mt-10 -79.86 166.08 22.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.81 1.305 . . . . 0.0 111.26 169.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -131.7 157.71 43.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.799 0.839 . . . . 0.0 112.114 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 mt -134.04 155.57 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 126.168 1.787 . . . . 0.0 108.712 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -138.31 140.25 39.47 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.689 0.795 . . . . 0.0 110.403 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.5 mt -134.16 127.99 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.162 0.985 . . . . 0.0 109.605 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -132.37 52.49 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.19 5.06 5.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.7 0.8 . . . . 0.0 112.917 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -116.98 -19.32 9.84 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.86 137.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 119.135 0.879 . . . . 0.0 111.345 -169.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.17 150.9 51.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.834 1.254 . . . . 0.0 109.763 169.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -130.59 144.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.177 1.791 . . . . 0.0 107.923 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -135.58 130.38 34.38 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.73 0.412 . . . . 0.0 110.009 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.29 92.21 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.11 -33.66 76.55 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.019 -0.425 . . . . 0.0 111.085 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.76 -178.42 39.24 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 112.338 -0.305 . . . . 0.0 112.338 171.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.22 146.96 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.114 0.483 . . . . 0.0 109.796 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -122.75 77.68 1.46 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 170.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -119.69 4.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.67 10.01 41.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.228 -0.572 . . . . 0.0 111.057 172.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.97 154.1 18.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.954 0.902 . . . . 0.0 109.966 170.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.12 113.65 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -170.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -86.03 118.34 25.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.861 1.264 . . . . 0.0 109.492 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -128.63 129.37 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.245 1.018 . . . . 0.0 109.533 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.09 137.92 13.78 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -120.93 129.97 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.909 0.861 . . . . 0.0 109.242 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -130.29 75.0 1.63 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.393 -168.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.22 157.99 54.24 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.679 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.1 157.29 40.09 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.06 1.84 . . . . 0.0 111.373 169.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -68.68 -0.83 5.73 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.19 0.996 . . . . 0.0 112.178 169.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.89 -28.49 68.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.512 1.525 . . . . 0.0 111.32 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.3 144.19 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.527 1.131 . . . . 0.0 109.997 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 142.17 29.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 111.258 169.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.52 98.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.639 -166.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.64 158.2 43.88 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.267 0.556 . . . . 0.0 111.845 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 4.9 ptt85 -64.66 154.52 36.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.339 0.656 . . . . 0.0 111.617 169.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -55.42 -41.77 73.24 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.25 0.62 . . . . 0.0 112.232 -171.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.86 -23.58 63.53 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -89.32 -50.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.175 0.99 . . . . 0.0 110.501 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.21 -35.98 39.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.857 1.263 . . . . 0.0 112.175 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.33 -22.61 62.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -77.76 -41.37 37.77 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 119.175 0.898 . . . . 0.0 109.957 169.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.41 -39.85 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.348 0.659 . . . . 0.0 109.314 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.4 mm-40 -80.59 4.74 17.54 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 174.129 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.07 -19.3 47.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.118 0.567 . . . . 0.0 111.539 168.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.33 48.55 0.09 OUTLIER Glycine 0 CA--C 1.526 0.724 0 C-N-CA 123.469 0.557 . . . . 0.0 113.851 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.8 -176.42 2.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.674 0.737 . . . . 0.0 112.518 -168.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.5 p -128.46 -178.23 4.49 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.157 1.383 . . . . 0.0 109.829 168.307 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.92 120.99 2.33 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -52.25 -46.54 32.1 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.757 2.971 . . . . 0.0 113.341 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.451 -0.421 0 C-N-CA 123.903 0.881 . . . . 0.0 110.408 -173.12 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.42 109.42 21.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -175.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.3 129.01 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.27 134.95 55.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.423 0.689 . . . . 0.0 109.257 168.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.4 p -87.0 143.64 27.25 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 168.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.11 133.02 20.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -77.45 150.14 35.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.619 1.168 . . . . 0.0 109.734 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.87 137.69 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 O-C-N 121.922 -0.486 . . . . 0.0 111.913 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.27 -4.03 76.8 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 124.539 1.066 . . . . 0.0 114.039 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -99.48 170.18 8.8 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.118 1.459 . . . . 0.0 112.35 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -124.2 159.29 30.45 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.44 154.74 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 127.592 2.357 . . . . 0.0 108.157 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -128.02 149.12 50.51 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.159 -0.963 . . . . 0.0 111.612 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.21 131.33 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.627 1.171 . . . . 0.0 109.295 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -137.62 49.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.46 9.97 7.25 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.392 170.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -121.29 -13.42 8.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.046 0.938 . . . . 0.0 113.301 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.27 133.21 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.824 0.738 . . . . 0.0 110.88 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -120.16 142.89 48.55 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.916 0.886 . . . . 0.0 109.758 172.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 mm -120.31 140.96 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.034 1.334 . . . . 0.0 108.38 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.98 129.27 25.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.723 -0.611 . . . . 0.0 110.74 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -83.23 104.77 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -83.89 -33.42 24.77 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.878 -0.513 . . . . 0.0 109.898 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.97 -170.86 42.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 113.758 0.263 . . . . 0.0 113.758 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.58 153.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.643 0.777 . . . . 0.0 110.807 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -140.79 97.45 3.2 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.562 1.145 . . . . 0.0 108.294 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.94 -119.14 12.63 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -169.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.4 -4.15 38.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.13 0.972 . . . . 0.0 112.327 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -81.66 152.89 26.9 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.158 0.504 . . . . 0.0 110.063 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -130.24 120.63 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -78.21 110.61 13.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mt -114.53 131.83 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.848 1.259 . . . . 0.0 109.386 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.88 141.48 15.23 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.645 1.116 . . . . 0.0 112.092 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 mt -133.65 119.89 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.964 1.306 . . . . 0.0 107.836 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -125.96 99.05 5.76 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.156 -0.34 . . . . 0.0 110.335 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.54 158.43 53.91 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.012 . . . . 0.0 110.638 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.65 152.38 78.3 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.007 2.471 . . . . 0.0 111.529 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.63 -0.88 2.28 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 172.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.07 -22.91 66.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.255 1.022 . . . . 0.0 111.342 169.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.47 144.21 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 110.172 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.612 0.365 . . . . 0.0 110.989 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 m -136.72 133.67 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.823 0.449 . . . . 0.0 110.012 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -156.26 163.4 39.6 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.437 0.695 . . . . 0.0 111.497 -174.246 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -80.01 162.67 24.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 165.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.58 -32.28 72.37 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.31 -46.53 85.97 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.704 0.802 . . . . 0.0 111.551 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -84.84 -31.78 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.061 0.544 . . . . 0.0 110.478 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.57 -39.74 61.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 112.281 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -58.52 -31.89 68.34 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.829 0.852 . . . . 0.0 112.284 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -70.23 -38.32 75.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.937 0.495 . . . . 0.0 111.486 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mp -68.13 -18.94 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 118.583 0.629 . . . . 0.0 110.699 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -92.16 2.03 56.85 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.189 0.596 . . . . 0.0 112.522 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.44 4.06 33.32 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.897 0.879 . . . . 0.0 112.945 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.97 55.36 0.57 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.092 0.853 . . . . 0.0 113.249 169.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 4.3 pp -165.66 174.61 9.61 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.102 0.961 . . . . 0.0 111.515 -169.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -133.44 2.18 3.5 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.65 134.08 23.54 Favored Pre-proline 0 N--CA 1.454 -0.237 0 C-N-CA 123.765 0.826 . . . . 0.0 111.18 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.5 170.04 5.97 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.155 2.57 . . . . 0.0 114.07 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 123.913 0.885 . . . . 0.0 112.609 -176.518 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttp . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.781 -0.152 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.95 120.56 38.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.19 1.796 . . . . 0.0 108.216 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.14 134.09 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.85 0.86 . . . . 0.0 109.467 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.34 163.04 29.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.009 1.324 . . . . 0.0 111.243 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 113.87 27.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 164.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.77 128.94 56.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.718 0.807 . . . . 0.0 109.723 175.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.28 156.69 33.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.723 0.692 . . . . 0.0 110.625 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -54.0 135.09 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.558 -0.747 . . . . 0.0 112.026 169.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 -3.23 76.17 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.398 0.999 . . . . 0.0 114.083 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -98.22 179.78 4.63 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.875 1.338 . . . . 0.0 111.928 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.6 m -136.19 155.52 50.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.553 0.741 . . . . 0.0 112.898 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mt -136.96 160.23 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 126.903 2.081 . . . . 0.0 108.7 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -136.98 149.74 47.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.853 0.861 . . . . 0.0 111.992 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -135.51 135.53 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.929 1.292 . . . . 0.0 109.042 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.31 -138.35 49.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.59 8.66 9.53 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.731 0.812 . . . . 0.0 111.794 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -129.86 -11.98 4.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.22 136.47 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.931 0.787 . . . . 0.0 110.747 -172.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -121.07 148.11 44.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.386 1.074 . . . . 0.0 109.987 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -128.31 143.3 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.913 1.685 . . . . 0.0 107.717 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -139.19 127.14 22.25 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 121.778 -0.576 . . . . 0.0 109.898 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -88.52 86.57 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.99 -34.68 78.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.899 -0.5 . . . . 0.0 111.73 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -170.37 42.92 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.941 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -140.54 131.4 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.515 1.126 . . . . 0.0 110.413 -169.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -136.94 87.7 2.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.352 1.461 . . . . 0.0 108.959 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -122.64 14.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.93 -15.94 33.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 111.108 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.72 151.08 24.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.6 0.714 . . . . 0.0 112.013 176.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.87 126.52 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -169.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -84.27 116.9 23.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.867 0.467 . . . . 0.0 110.024 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -122.57 115.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.003 0.921 . . . . 0.0 109.333 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.69 143.44 22.45 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.941 1.258 . . . . 0.0 110.96 171.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.29 138.99 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -136.42 89.94 2.51 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.14 154.77 74.27 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 109.367 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.49 150.19 86.33 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.979 1.786 . . . . 0.0 110.559 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.88 -1.04 6.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.92 -22.93 65.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.824 1.25 . . . . 0.0 111.389 168.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.67 159.99 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.138 0.975 . . . . 0.0 110.708 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.09 157.04 16.62 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.331 0.652 . . . . 0.0 112.175 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.29 125.87 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.813 0.445 . . . . 0.0 110.056 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -152.78 167.07 30.23 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.615 0.766 . . . . 0.0 111.666 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 mpp_? -63.21 159.96 16.62 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 167.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -62.6 -33.27 74.66 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.569 -0.707 . . . . 0.0 111.499 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -52.08 -43.1 63.71 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.564 1.146 . . . . 0.0 111.871 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -89.86 -38.73 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 124.116 0.966 . . . . 0.0 111.029 -169.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -45.52 -39.76 7.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.805 1.242 . . . . 0.0 112.106 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -60.75 -27.89 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.791 1.236 . . . . 0.0 113.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.01 -47.39 37.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.83 0.741 . . . . 0.0 109.76 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.409 ' HA ' HD13 ' D' ' 55' ' ' LEU . 5.0 mp -62.41 -33.91 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.793 0.437 . . . . 0.0 110.317 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -82.53 -0.2 45.54 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.028 0.531 . . . . 0.0 111.65 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.16 -6.25 59.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.367 1.067 . . . . 0.0 112.418 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.24 47.89 0.49 Allowed Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.512 -0.604 . . . . 0.0 114.19 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.409 HD13 ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -163.62 -179.13 6.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.015 0.908 . . . . 0.0 112.064 -169.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 85.4 m -152.85 100.86 2.55 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.595 1.158 . . . . 0.0 108.576 166.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.29 84.35 0.19 Allowed Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 126.583 1.953 . . . . 0.0 114.31 179.753 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.46 169.81 7.68 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.618 2.879 . . . . 0.0 113.669 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 124.104 0.962 . . . . 0.0 112.259 176.719 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -80.9 111.0 16.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -172.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -115.01 126.27 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 108.99 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -146.55 165.11 30.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.284 1.033 . . . . 0.0 111.038 -173.521 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -121.58 129.06 52.61 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.824 0.45 . . . . 0.0 110.362 -179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -128.96 130.52 46.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.229 1.412 . . . . 0.0 110.82 -169.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -83.48 158.93 21.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.733 0.301 . . . . 0.0 111.496 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.71 136.3 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.54 83.57 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 124.002 0.81 . . . . 0.0 114.308 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -94.83 174.88 6.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.846 1.323 . . . . 0.0 111.525 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -137.82 158.77 43.66 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -139.04 156.07 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 126.911 2.084 . . . . 0.0 108.362 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.48 150.45 52.15 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.44 -0.787 . . . . 0.0 113.076 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.01 140.73 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.788 1.235 . . . . 0.0 108.9 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.91 -136.73 51.0 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -124.53 8.58 8.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.903 0.881 . . . . 0.0 111.514 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -135.76 -7.74 2.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -169.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.82 136.95 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 118.928 0.786 . . . . 0.0 110.81 -173.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.39 142.62 51.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.564 1.146 . . . . 0.0 110.015 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.4 136.83 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.394 1.477 . . . . 0.0 108.175 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -134.25 126.3 29.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.124 0.569 . . . . 0.0 109.686 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.07 101.19 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.96 -30.02 66.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.085 -0.384 . . . . 0.0 110.869 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.02 -171.38 34.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.338 0.494 . . . . 0.0 113.32 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -118.86 153.62 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.461 0.704 . . . . 0.0 112.041 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -142.24 89.87 2.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.956 1.302 . . . . 0.0 109.017 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.74 -126.43 37.15 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -171.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -76.2 -24.99 54.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.569 0.685 . . . . 0.0 112.353 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.65 144.76 52.82 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -135.1 118.51 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -88.85 118.61 28.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.12 129.29 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.661 0.784 . . . . 0.0 110.16 -169.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.85 141.68 15.65 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.352 0.977 . . . . 0.0 111.341 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.37 126.31 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.823 1.249 . . . . 0.0 108.651 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -127.97 99.25 5.43 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -172.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 154.85 81.14 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.557 1.143 . . . . 0.0 110.394 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.72 157.45 42.48 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.736 2.291 . . . . 0.0 112.049 172.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 -0.98 12.06 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.462 0.705 . . . . 0.0 112.589 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.72 -23.33 66.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.704 1.202 . . . . 0.0 111.833 169.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -121.86 158.62 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.001 0.92 . . . . 0.0 110.69 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.75 16.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.898 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.066 0.546 . . . . 0.0 110.251 169.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -151.48 170.15 20.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.086 0.954 . . . . 0.0 110.626 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.77 159.26 32.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.78 -23.71 67.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.765 0.317 . . . . 0.0 111.356 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -67.25 -40.16 86.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.97 1.308 . . . . 0.0 111.592 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.49 -33.47 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.484 0.714 . . . . 0.0 109.573 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . 0.406 ' HA ' ' CG1' ' E' ' 51' ' ' ILE . 62.3 t80 -52.44 -35.09 51.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.421 1.088 . . . . 0.0 112.515 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.35 -23.57 67.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.116 0.567 . . . . 0.0 112.32 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.84 -39.8 25.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.151 0.581 . . . . 0.0 110.407 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . 0.406 ' CG1' ' HA ' ' E' ' 48' ' ' TYR . 8.4 mm -52.68 -37.68 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.885 0.874 . . . . 0.0 111.193 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -85.24 -47.29 10.23 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.05 -10.75 15.01 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -167.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.52 72.03 0.19 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -172.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.524 HD23 ' H ' ' E' ' 55' ' ' LEU . 0.1 OUTLIER -60.86 161.86 7.59 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.852 1.661 . . . . 0.0 114.207 -164.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 35.4 p -75.91 -20.27 58.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.554 174.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.03 90.18 36.04 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.335 1.054 . . . . 0.0 109.907 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.16 146.76 95.93 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.29 2.66 . . . . 0.0 113.295 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 126.064 1.746 . . . . 0.0 114.224 169.519 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.87 148.35 22.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.823 0.449 . . . . 0.0 111.372 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.13 133.57 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 169.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.77 163.82 26.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.494 1.117 . . . . 0.0 109.862 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.54 98.51 5.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 169.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.98 132.95 50.57 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.368 1.467 . . . . 0.0 110.528 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -96.18 165.69 12.1 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 119.946 1.248 . . . . 0.0 113.444 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.84 135.0 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.439 -168.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.3 -2.94 75.4 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.399 1.0 . . . . 0.0 113.896 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -99.2 166.5 11.2 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.539 1.169 . . . . 0.0 111.407 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -129.32 158.44 39.09 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -137.3 156.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 126.922 2.089 . . . . 0.0 107.937 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.85 149.65 51.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.849 0.859 . . . . 0.0 112.08 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -135.08 138.64 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.553 1.141 . . . . 0.0 108.908 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.1 -134.91 52.24 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -172.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -127.02 10.05 6.9 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.313 1.045 . . . . 0.0 112.358 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.74 -18.41 3.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.1 136.89 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 119.162 0.892 . . . . 0.0 110.597 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.4 m -128.21 142.76 51.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.303 1.041 . . . . 0.0 110.374 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -123.07 142.34 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 108.157 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -136.45 129.35 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.823 0.449 . . . . 0.0 110.001 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.62 106.06 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.85 -31.07 56.59 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.736 -0.603 . . . . 0.0 111.005 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.31 -174.47 37.05 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 113.702 0.241 . . . . 0.0 113.702 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.97 155.82 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.62 0.768 . . . . 0.0 111.495 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -145.54 89.93 1.96 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.517 1.127 . . . . 0.0 108.808 169.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.03 -121.7 25.45 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -80.24 -20.41 44.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -77.48 145.11 37.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.652 0.781 . . . . 0.0 110.937 177.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.18 116.05 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -90.96 125.81 35.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.856 0.462 . . . . 0.0 110.123 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -131.61 143.51 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.367 1.067 . . . . 0.0 109.258 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.41 141.32 16.05 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 124.148 0.88 . . . . 0.0 111.472 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 30.9 mt -130.12 127.1 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.091 0.956 . . . . 0.0 110.056 -175.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -122.05 108.02 12.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.497 1.119 . . . . 0.0 109.162 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.16 157.64 74.03 Favored Pre-proline 0 N--CA 1.453 -0.28 0 C-N-CA 123.588 0.755 . . . . 0.0 111.476 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -64.78 162.49 31.59 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 123.091 2.527 . . . . 0.0 112.315 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -69.55 -2.36 11.2 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.419 0.688 . . . . 0.0 112.335 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.41 -24.73 66.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.24 1.416 . . . . 0.0 112.307 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -125.72 163.22 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.971 0.908 . . . . 0.0 111.257 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.28 161.52 14.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.458 0.703 . . . . 0.0 111.311 169.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.06 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.15 0.58 . . . . 0.0 110.404 170.068 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -154.32 174.52 14.72 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.4 163.84 23.54 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.797 -0.564 . . . . 0.0 110.167 168.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -64.13 -24.39 67.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.18 -53.29 59.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.362 0.665 . . . . 0.0 110.781 171.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.84 -32.82 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 122.923 0.489 . . . . 0.0 109.707 -173.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.71 -32.77 53.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.505 0.722 . . . . 0.0 112.923 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -59.68 -21.76 61.02 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.121 1.368 . . . . 0.0 113.059 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -77.16 -46.31 23.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.967 0.507 . . . . 0.0 111.616 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.51 -63.15 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 C-N-CA 125.959 1.704 . . . . 0.0 114.096 -167.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.36 0.55 7.89 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.73 0.812 . . . . 0.0 112.586 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.08 -16.65 61.47 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.935 0.494 . . . . 0.0 111.866 169.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.05 34.18 0.26 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 123.964 0.792 . . . . 0.0 113.706 169.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.95 179.74 8.8 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.025 0.93 . . . . 0.0 111.525 -169.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -132.4 -3.09 3.43 Favored 'General case' 0 CA--C 1.526 0.034 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.31 124.57 15.1 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.681 0.793 . . . . 0.0 110.33 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.0 144.5 78.7 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.322 2.682 . . . . 0.0 113.397 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 125.772 1.629 . . . . 0.0 113.802 171.326 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.585 3.385 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.629 3.429 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.886 4.686 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 O4'-C1'-N19 112.252 4.052 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C3'-C2'-C1' 104.696 3.551 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . 0.417 ' C8 ' " H3'" ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 C5'-C4'-C3' 107.855 -5.097 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 C5'-C4'-C3' 109.358 -4.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C3'-C2'-C1' 103.828 2.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 110.489 2.289 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 C3'-C2'-C1' 104.954 3.838 . 0.123 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.884 3.684 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.442 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 C5'-C4'-C3' 112.502 -1.998 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C5'-C4'-C3' 110.713 -3.191 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C4'-C3'-C2' 100.307 -2.393 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 111.739 3.539 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 111.276 3.076 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 1 C5'-C4'-C3' 109.291 -4.14 . 0.821 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C5'-C4'-C3' 110.453 -3.365 . 0.072 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 110.89 2.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 O4'-C1'-N19 111.791 3.591 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O4'-C1'-N19 112.44 4.24 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 110.986 2.786 . 0.099 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.73 4.53 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 112.146 3.946 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 110.013 -3.658 . 0.413 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O5'-C5'-C4' 114.171 2.837 . 0.29 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C5'-C4'-C3' 111.409 -2.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 0 C5'-C4'-C3' 111.983 -2.345 . 0.046 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 C5'-C4'-C3' 111.394 -2.737 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 O4'-C1'-N19 111.728 3.528 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.271 -2.429 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.253 3.053 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.433 4.233 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C4'-C3'-C2' 99.101 -3.599 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C4'-C3'-C2' 99.6 -3.1 . 0.204 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.523 3.323 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 P-O3'-C3' 122.416 2.263 . 0.022 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C5'-C4'-C3' 110.18 -3.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C3'-C2'-C1' 103.3 2.0 . 0.238 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 O4'-C1'-N19 113.162 4.962 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.418 1 C5'-C4'-C3' 108.381 -4.746 . 0.02 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 0 O4'-C1'-N19 111.769 3.569 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 1 O4'-C1'-N19 112.767 4.567 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.809 4.609 . 0.072 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 O4'-C1'-N19 112.585 4.385 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.282 3.082 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 1 O4'-C1'-N19 112.793 4.593 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.442 HO2' ' P ' ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.376 0 C3'-C2'-C1' 104.864 3.737 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.442 ' P ' HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.048 1 P-O3'-C3' 125.477 4.814 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.841 3.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.386 0 C5'-C4'-C3' 111.551 -2.633 . 0.395 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 1 O5'-C5'-C4' 117.355 5.11 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 110.281 2.081 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.644 4.444 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C4'-C3'-C2' 100.143 -2.557 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.161 2.961 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 1 O4'-C1'-N19 113.792 5.592 . 0.396 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.772 3.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.898 3.698 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.483 3.283 . 0.219 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 O4'-C1'-N19 111.977 3.777 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.491 3.291 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.445 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 C3'-C2'-C1' 105.05 3.944 . 0.481 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.445 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 99.483 -3.217 . 0.157 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 110.801 2.601 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . 0.531 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C3'-C2'-C1' 104.828 3.698 . 0.513 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.531 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.687 1 O5'-C5'-C4' 120.845 7.604 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . 0.469 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.18 1 P-O3'-C3' 125.971 5.226 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C5'-C4'-C3' 111.268 -2.821 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 1 O4'-C1'-N19 112.211 4.011 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C4'-C3'-C2' 100.15 -2.55 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.976 2.776 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.86 118.93 37.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.702 0.801 . . . . 0.0 109.45 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.77 135.82 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.121 0.968 . . . . 0.0 110.4 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -134.73 153.95 51.79 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.685 1.194 . . . . 0.0 110.143 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 m -128.08 101.11 6.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.92 0.888 . . . . 0.0 109.788 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -128.7 155.55 44.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 122.01 -0.431 . . . . 0.0 111.78 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 161.91 13.8 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.285 -172.606 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 48.1 t -43.58 128.27 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.652 0.781 . . . . 0.0 110.787 169.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.06 -15.16 63.97 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.263 0.935 . . . . 0.0 113.843 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -86.31 170.77 11.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.785 1.293 . . . . 0.0 112.749 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.4 m -139.28 155.88 47.43 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 12.8 mm -126.09 157.84 35.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.496 1.918 . . . . 0.0 109.683 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -128.66 140.71 51.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.357 1.063 . . . . 0.0 111.438 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.58 131.48 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.413 1.085 . . . . 0.0 109.751 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.01 -130.96 33.35 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -125.78 1.82 7.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.872 0.869 . . . . 0.0 112.103 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.54 -17.12 1.52 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.06 134.09 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 119.027 0.83 . . . . 0.0 110.342 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -128.09 142.72 51.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.698 0.799 . . . . 0.0 109.694 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -120.73 143.81 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.739 1.216 . . . . 0.0 108.497 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.9 m -136.46 132.76 35.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.235 0.614 . . . . 0.0 110.064 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.52 96.52 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.91 -30.48 68.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.32 -171.18 44.1 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 117.712 0.233 . . . . 0.0 113.566 169.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.0 147.27 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.716 0.807 . . . . 0.0 111.144 -171.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.48 70.61 1.34 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.854 1.262 . . . . 0.0 109.976 -170.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.49 -124.57 10.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -80.15 -1.75 41.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.287 0.544 . . . . 0.0 112.259 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -98.91 155.49 17.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.837 0.827 . . . . 0.0 111.886 170.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -139.15 126.62 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 126.041 1.737 . . . . 0.0 108.31 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -104.34 101.82 11.51 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.48 0.712 . . . . 0.0 110.303 -175.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -107.86 130.74 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.224 1.409 . . . . 0.0 109.615 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.77 138.37 14.13 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.97 132.14 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.168 1.387 . . . . 0.0 108.47 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -121.02 75.05 1.12 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.512 1.125 . . . . 0.0 109.27 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.39 154.24 40.75 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 125.11 1.364 . . . . 0.0 110.663 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.19 154.09 56.83 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.564 2.176 . . . . 0.0 110.364 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -68.83 -4.78 17.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.8 -24.84 65.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.947 0.899 . . . . 0.0 111.99 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -117.71 144.09 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.98 0.895 . . . . 0.0 111.917 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.14 143.03 29.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.315 1.046 . . . . 0.0 110.874 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -133.62 125.49 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.921 0.488 . . . . 0.0 110.451 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -151.26 158.82 44.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -68.41 162.31 25.71 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.535 1.134 . . . . 0.0 110.414 169.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -59.58 -43.6 93.6 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.562 -0.711 . . . . 0.0 112.796 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 -79.73 1.7 25.57 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.17 -8.76 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.459 1.104 . . . . 0.0 110.687 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -80.07 -40.06 28.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.349 -1.47 . . . . 0.0 110.509 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -73.28 -23.38 60.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.792 0.437 . . . . 0.0 111.826 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -70.36 -26.77 63.89 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 173.052 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -80.08 -51.8 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.145 0.978 . . . . 0.0 109.568 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -74.59 4.98 5.27 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.518 0.727 . . . . 0.0 111.359 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.75 67.06 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.606 0.763 . . . . 0.0 111.982 168.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.22 18.35 0.94 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 123.804 0.716 . . . . 0.0 113.452 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -127.74 173.69 9.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.637 1.175 . . . . 0.0 111.533 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.0 p -141.53 160.28 40.48 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.931 0.892 . . . . 0.0 111.069 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.93 153.07 48.19 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 124.119 0.967 . . . . 0.0 111.165 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.45 164.49 30.62 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.301 2.667 . . . . 0.0 111.934 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 124.332 1.053 . . . . 0.0 112.234 178.479 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -114.21 123.38 49.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.602 168.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.5 mt -118.97 140.41 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -165.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -135.7 138.0 42.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.157 1.383 . . . . 0.0 110.66 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.4 m -115.5 106.31 13.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -126.34 156.34 40.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.373 1.069 . . . . 0.0 110.301 -169.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -96.74 168.15 10.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -62.72 133.12 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.244 0.545 . . . . 0.0 110.786 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.32 -2.48 78.35 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-O 119.094 -0.837 . . . . 0.0 114.526 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -87.76 162.36 17.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.051 1.425 . . . . 0.0 111.845 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -130.67 157.68 42.13 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.395 0.678 . . . . 0.0 112.498 -171.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -145.24 159.9 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 126.225 1.81 . . . . 0.0 108.403 -172.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -141.62 146.0 35.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.5 0.72 . . . . 0.0 111.865 -169.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.2 130.86 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.613 1.165 . . . . 0.0 109.587 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -133.96 50.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.03 5.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.817 0.847 . . . . 0.0 112.697 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -115.69 -18.79 10.76 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.14 135.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-N 119.016 0.825 . . . . 0.0 111.363 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -130.18 149.68 51.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.942 1.297 . . . . 0.0 109.877 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -129.18 143.71 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.066 1.746 . . . . 0.0 108.393 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.5 m -137.28 129.49 29.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.055 0.542 . . . . 0.0 109.939 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -80.78 104.45 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.74 -33.99 71.4 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.922 -0.486 . . . . 0.0 110.752 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.21 176.11 31.93 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.68 158.19 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.388 0.613 . . . . 0.0 110.389 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -135.65 75.95 1.59 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.66 1.184 . . . . 0.0 108.405 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.07 -122.6 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.44 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -99.78 11.44 39.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.052 -0.675 . . . . 0.0 111.541 171.764 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.1 158.41 15.69 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.939 0.896 . . . . 0.0 109.906 169.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -139.41 122.23 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.0 0.52 . . . . 0.0 110.282 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 119.57 31.42 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.305 1.442 . . . . 0.0 109.654 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.48 134.14 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.087 0.955 . . . . 0.0 110.142 -169.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.32 139.83 14.63 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 123.713 0.673 . . . . 0.0 111.961 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mt -124.57 131.01 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.093 0.957 . . . . 0.0 109.176 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -131.84 77.09 1.75 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.732 -167.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.59 157.18 57.38 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.284 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.14 155.05 41.78 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.705 1.603 . . . . 0.0 109.561 168.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -0.83 10.05 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.899 0.88 . . . . 0.0 111.106 175.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.78 -25.7 67.37 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.634 1.974 . . . . 0.0 111.528 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.7 144.15 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.73 1.212 . . . . 0.0 109.951 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.517 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -85.04 140.56 30.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.405 0.621 . . . . 0.0 111.849 172.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.441 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 5.6 t -144.83 99.32 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.276 -166.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.537 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.8 OUTLIER -145.7 168.17 21.35 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.154 0.982 . . . . 0.0 110.553 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.9 ptt-85 -71.18 158.5 36.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.199 -0.313 . . . . 0.0 111.483 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.39 -32.84 62.97 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.929 0.892 . . . . 0.0 112.532 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -53.77 -51.21 64.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.065 0.848 . . . . 0.0 110.565 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.72 -43.44 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.899 1.279 . . . . 0.0 110.081 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -48.5 -38.77 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.212 1.005 . . . . 0.0 112.015 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.86 -27.21 65.61 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -79.41 -39.07 33.33 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 119.008 0.822 . . . . 0.0 110.478 173.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.46 -42.55 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -77.58 5.0 9.95 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.65 -18.84 50.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.285 0.493 . . . . 0.0 111.837 169.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.35 44.73 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.494 -0.615 . . . . 0.0 114.397 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.04 -174.42 2.04 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.851 0.826 . . . . 0.0 112.596 -168.248 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -127.03 175.35 8.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.062 1.345 . . . . 0.0 109.636 167.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.19 122.35 1.29 Allowed Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 124.34 1.056 . . . . 0.0 111.39 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -58.49 168.77 3.65 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 123.268 2.645 . . . . 0.0 114.581 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 124.593 1.157 . . . . 0.0 113.391 -174.827 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.287 7.3 tpp . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.79 106.71 12.37 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.027 1.731 . . . . 0.0 106.527 166.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.16 133.73 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.539 0.736 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -128.88 144.54 51.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.444 1.097 . . . . 0.0 110.053 170.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -114.7 128.02 56.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.186 0.594 . . . . 0.0 110.864 173.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.595 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 32.6 mtp85 -140.7 150.85 43.98 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.412 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 2.7 tptm -75.39 160.41 30.3 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.091 1.356 . . . . 0.0 110.594 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.42 143.8 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 O-C-N 121.443 -0.786 . . . . 0.0 112.377 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.91 -3.77 86.7 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.85 1.214 . . . . 0.0 113.549 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . 0.595 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 73.8 mm-40 -86.58 164.16 17.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.937 1.368 . . . . 0.0 113.56 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -121.57 153.38 38.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.448 1.099 . . . . 0.0 112.99 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mt -145.37 156.91 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.979 2.112 . . . . 0.0 108.4 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -131.76 152.63 50.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.019 -1.051 . . . . 0.0 112.353 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.11 135.83 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 125.009 1.324 . . . . 0.0 109.576 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.89 -137.83 49.28 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -175.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -120.62 0.41 10.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.377 1.071 . . . . 0.0 111.011 169.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -122.49 -9.41 8.5 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.238 1.015 . . . . 0.0 113.239 -169.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.34 133.67 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 118.741 0.701 . . . . 0.0 110.659 -174.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -116.76 147.38 42.1 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.656 0.782 . . . . 0.0 109.968 171.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -126.31 146.69 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.543 1.537 . . . . 0.0 108.147 177.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -143.62 133.05 23.4 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.409 -0.807 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -86.33 100.94 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 168.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.54 -36.37 60.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.834 -0.541 . . . . 0.0 109.751 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.63 -170.15 42.52 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.761 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.83 154.47 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.384 0.674 . . . . 0.0 110.735 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -139.64 90.04 2.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.211 1.004 . . . . 0.0 108.609 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -117.47 7.46 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -169.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.27 -3.35 44.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.62 0.768 . . . . 0.0 112.177 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -81.52 157.94 24.64 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.761 0.791 . . . . 0.0 111.816 173.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -137.96 112.63 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 125.716 1.606 . . . . 0.0 107.041 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -79.07 112.28 16.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 mt -109.97 127.1 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.857 1.263 . . . . 0.0 109.468 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 142.25 16.04 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 125.294 1.425 . . . . 0.0 111.303 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -136.38 135.14 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -138.07 94.74 2.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -171.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.04 156.48 75.67 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 123.897 0.879 . . . . 0.0 110.474 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.11 151.43 81.9 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.737 2.291 . . . . 0.0 110.992 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.22 -1.0 2.87 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 123.391 0.676 . . . . 0.0 112.557 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.76 -22.63 66.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.362 1.065 . . . . 0.0 111.33 169.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.36 149.54 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.204 1.002 . . . . 0.0 110.562 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.75 154.83 20.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.764 0.425 . . . . 0.0 111.455 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.66 131.29 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -153.74 167.08 30.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.105 0.562 . . . . 0.0 111.257 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 32.2 ptt-85 -87.3 158.0 19.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 166.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.68 -35.2 74.0 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -168.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.43 -18.9 63.78 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.109 0.963 . . . . 0.0 113.483 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mm -98.53 -34.48 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.014 0.926 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.65 -35.06 54.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.266 1.026 . . . . 0.0 112.159 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -61.33 -24.98 66.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.802 0.841 . . . . 0.0 112.9 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -68.73 -38.54 80.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.499 0.59 . . . . 0.0 111.603 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp -68.43 -20.58 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -94.59 2.07 55.63 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.7 1.2 . . . . 0.0 112.976 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.92 4.12 5.8 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -169.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.48 25.98 5.01 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 123.955 0.788 . . . . 0.0 112.984 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 53.4 mt -67.83 -17.61 64.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.597 0.699 . . . . 0.0 112.58 -175.086 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -74.32 -26.07 59.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.687 0.795 . . . . 0.0 111.621 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.8 82.8 13.46 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 123.691 0.796 . . . . 0.0 110.833 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -66.57 177.45 3.35 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.273 2.648 . . . . 0.0 113.691 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 124.135 0.974 . . . . 0.0 112.438 179.35 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mmm . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.9 112.36 11.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.118 1.767 . . . . 0.0 107.257 168.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.59 137.9 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.769 1.228 . . . . 0.0 109.421 -171.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 159.21 38.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.375 0.67 . . . . 0.0 111.74 173.355 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 19.3 p -90.93 144.83 25.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.372 0.606 . . . . 0.0 112.044 172.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.38 145.94 51.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.551 1.141 . . . . 0.0 108.23 166.544 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 74.5 mttt -92.74 158.71 15.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.508 169.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.3 m -42.79 133.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 173.275 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.55 -6.01 80.27 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.365 0.983 . . . . 0.0 114.177 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -94.38 170.59 9.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.79 1.295 . . . . 0.0 112.615 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.4 m -131.13 158.97 39.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mm -139.69 153.78 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 128.412 2.685 . . . . 0.0 108.315 -174.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -132.36 145.79 51.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.041 0.936 . . . . 0.0 111.829 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 83.9 mt -133.38 139.56 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.834 1.253 . . . . 0.0 109.131 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.45 -131.88 52.27 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -173.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.94 9.93 5.41 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.617 0.767 . . . . 0.0 111.675 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.64 -8.41 4.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.973 0.909 . . . . 0.0 112.953 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.78 137.35 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.34 0.656 . . . . 0.0 110.608 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -127.68 142.6 51.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 109.489 174.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -125.94 141.14 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.956 1.302 . . . . 0.0 108.056 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -136.1 130.43 33.36 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -84.48 102.75 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.8 mt -73.3 -34.2 65.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.848 0.459 . . . . 0.0 110.241 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.37 179.72 41.43 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 121.049 0.249 . . . . 0.0 112.846 168.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -121.06 135.0 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.364 1.066 . . . . 0.0 110.091 -179.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -133.36 79.08 1.81 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.794 1.238 . . . . 0.0 109.073 -170.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.98 -118.83 5.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -171.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.412 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mt-30 -94.83 -8.57 37.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.604 0.762 . . . . 0.0 111.077 173.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -79.54 147.97 31.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.177 0.591 . . . . 0.0 110.523 173.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -127.32 123.83 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -95.7 107.75 19.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.495 1.118 . . . . 0.0 108.714 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -117.05 127.28 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.925 0.89 . . . . 0.0 109.982 -168.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.73 142.4 15.98 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 171.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.51 138.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -136.05 89.97 2.53 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.79 155.31 79.51 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.676 1.191 . . . . 0.0 109.644 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.8 151.59 83.22 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.4 2.067 . . . . 0.0 110.905 169.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.05 -1.91 6.75 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.05 -21.49 66.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.315 1.046 . . . . 0.0 111.325 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.09 159.86 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.226 1.01 . . . . 0.0 110.881 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.21 157.11 16.11 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.565 0.746 . . . . 0.0 112.172 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.5 123.73 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.773 167.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -152.31 159.65 43.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.234 0.614 . . . . 0.0 111.388 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -66.64 155.59 37.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.309 0.643 . . . . 0.0 110.353 167.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -55.88 -41.33 74.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -167.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -67.97 -22.42 65.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.4 -41.74 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 123.987 0.915 . . . . 0.0 110.894 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -48.05 -36.05 12.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.904 1.281 . . . . 0.0 112.78 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -60.2 -28.36 67.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.496 1.119 . . . . 0.0 112.962 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.37 -35.64 65.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.342 1.057 . . . . 0.0 111.118 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.466 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.9 mp -83.1 -18.62 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 127.29 2.236 . . . . 0.0 109.326 -176.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -105.0 -18.44 14.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.26 -11.85 36.93 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.47 -4.44 0.8 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 123.621 0.629 . . . . 0.0 113.08 -170.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 80.66 135.48 0.06 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 128.06 2.544 . . . . 0.0 112.22 168.23 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 3.4 m -131.34 -14.81 3.3 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.526 -168.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.4 130.75 5.63 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 124.622 1.169 . . . . 0.0 108.383 167.091 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -64.85 173.04 6.21 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.177 1.918 . . . . 0.0 113.274 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 124.393 1.077 . . . . 0.0 112.845 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -113.84 120.94 42.47 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.173 0.589 . . . . 0.0 110.157 -169.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.69 139.18 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.067 0.947 . . . . 0.0 109.82 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -133.69 165.01 25.94 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.804 1.641 . . . . 0.0 110.578 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.0 97.04 4.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 167.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -107.67 129.83 54.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.099 1.36 . . . . 0.0 110.049 -168.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . 0.417 ' HE2' ' HB2' ' F' ' 28' ' ' GLN 0.264 15.2 ptpt -98.68 146.94 25.35 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 123.516 1.627 . . . . 0.0 114.212 176.048 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 27.5 t -34.91 118.03 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 110.317 -3.128 . . . . 0.0 110.227 174.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.22 -17.03 44.81 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.356 -0.691 . . . . 0.0 113.922 -178.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -86.59 171.09 11.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.647 1.223 . . . . 0.0 111.879 172.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -133.13 155.48 49.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.943 0.897 . . . . 0.0 111.804 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -125.38 160.85 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 126.647 1.979 . . . . 0.0 108.167 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -134.86 150.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.649 -0.657 . . . . 0.0 111.732 173.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -134.38 137.68 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.442 1.097 . . . . 0.0 109.182 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.42 -137.42 50.03 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.71 8.83 9.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.985 0.914 . . . . 0.0 111.931 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -138.73 -9.14 1.4 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -115.56 135.27 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.925 0.784 . . . . 0.0 110.508 -172.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -126.08 148.32 49.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.984 1.314 . . . . 0.0 109.198 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.79 150.12 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.83 0.852 . . . . 0.0 109.334 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.44 132.21 31.0 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.894 0.878 . . . . 0.0 111.013 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.46 100.77 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 169.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 mt -73.08 -24.13 60.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.691 -0.631 . . . . 0.0 112.087 -171.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.18 168.47 20.5 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 118.577 0.626 . . . . 0.0 113.089 -170.056 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -114.52 156.63 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.285 0.634 . . . . 0.0 111.2 168.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -143.75 89.83 2.09 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.672 1.189 . . . . 0.0 108.107 168.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.48 -128.63 43.96 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.352 -171.311 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -75.84 -19.33 58.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.48 0.64 . . . . 0.0 112.177 173.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.06 147.03 36.92 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.639 0.733 . . . . 0.0 110.031 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.17 121.76 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm105 -89.43 120.91 31.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.21 139.03 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.54 1.136 . . . . 0.0 110.302 -167.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 138.85 15.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.417 1.008 . . . . 0.0 110.869 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 19.5 mt -132.49 135.35 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -138.24 101.16 4.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.694 -0.629 . . . . 0.0 111.22 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.77 156.26 79.59 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 124.716 1.206 . . . . 0.0 110.537 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.08 158.03 36.5 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.842 2.361 . . . . 0.0 111.885 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -68.41 -0.86 5.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.401 0.68 . . . . 0.0 112.704 169.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.98 -22.98 67.09 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.75 1.22 . . . . 0.0 111.333 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.9 154.98 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.412 1.085 . . . . 0.0 110.582 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 157.8 19.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.653 0.381 . . . . 0.0 111.467 172.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.05 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.042 -0.411 . . . . 0.0 110.968 169.264 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.76 170.03 20.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.208 1.003 . . . . 0.0 111.159 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -66.99 154.6 40.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.41 -23.59 64.49 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.107 -0.37 . . . . 0.0 111.783 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.49 -48.79 73.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.578 1.151 . . . . 0.0 111.347 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.53 -31.14 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.575 0.75 . . . . 0.0 109.89 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -54.62 -37.44 65.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.704 0.801 . . . . 0.0 112.379 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -69.99 -22.15 63.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.84 -26.67 64.33 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.497 0.589 . . . . 0.0 110.316 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . 0.404 ' HA ' ' CD1' ' E' ' 55' ' ' LEU . 92.7 mt -94.23 -39.3 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 110.891 -169.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm-40 -73.66 3.04 6.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.381 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.11 -19.08 64.8 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.054 1.342 . . . . 0.0 112.34 168.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.33 24.56 0.07 OUTLIER Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.278 -0.734 . . . . 0.0 114.82 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.404 ' CD1' ' HA ' ' E' ' 51' ' ' ILE . 33.6 mt -103.82 -36.62 7.76 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.568 1.184 . . . . 0.0 112.316 -170.057 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -35.2 69.82 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.369 1.068 . . . . 0.0 110.806 -174.49 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.22 115.85 9.34 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.952 1.301 . . . . 0.0 109.004 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -58.2 138.63 86.94 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.758 2.305 . . . . 0.0 112.851 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 169.105 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.006 -0.045 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -101.05 148.48 25.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.511 0.724 . . . . 0.0 111.288 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.6 137.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.549 0.739 . . . . 0.0 109.452 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.1 162.82 31.4 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 110.181 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.58 97.0 4.4 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 169.03 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.56 137.65 43.04 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.488 1.515 . . . . 0.0 112.227 -169.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -85.93 157.12 20.23 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 112.104 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.61 138.24 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.148 0.499 . . . . 0.0 111.863 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.14 -5.18 84.53 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.069 0.842 . . . . 0.0 114.11 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.807 1.303 . . . . 0.0 112.368 176.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -133.45 157.22 46.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.746 0.818 . . . . 0.0 112.573 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -135.3 157.14 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 126.987 2.115 . . . . 0.0 107.341 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -131.6 150.25 52.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.385 -0.822 . . . . 0.0 112.136 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -134.99 138.79 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.628 1.171 . . . . 0.0 109.033 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.18 -135.31 51.95 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -127.69 10.07 6.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.211 1.004 . . . . 0.0 112.367 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -127.85 -18.11 4.32 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.5 136.18 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 119.039 0.836 . . . . 0.0 110.769 -171.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -126.85 143.22 51.33 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.525 1.13 . . . . 0.0 110.021 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -121.85 143.21 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.782 1.633 . . . . 0.0 107.985 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -136.3 130.41 32.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.081 0.552 . . . . 0.0 109.951 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -85.17 112.54 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -86.17 -26.14 25.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.319 0.648 . . . . 0.0 111.354 -172.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.31 -172.56 33.53 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 117.89 0.314 . . . . 0.0 113.842 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.46 156.0 40.52 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.315 1.446 . . . . 0.0 108.656 168.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -118.81 9.03 Favored Glycine 0 CA--C 1.526 0.76 0 O-C-N 121.68 -0.637 . . . . 0.0 111.769 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . 0.417 ' HB2' ' HE2' ' E' ' 7' ' ' LYS . 8.4 mm100 -88.17 -22.35 24.09 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 117.724 0.762 . . . . 0.0 110.524 175.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . 0.411 HE21 ' HB3' ' E' ' 7' ' ' LYS . 10.1 mm-40 -69.62 126.61 30.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.278 0.49 . . . . 0.0 109.782 177.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.57 117.11 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -84.44 127.75 34.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.62 141.83 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 124.03 0.932 . . . . 0.0 110.138 -168.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.48 143.64 17.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 124.26 0.934 . . . . 0.0 111.454 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.35 134.02 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.382 1.073 . . . . 0.0 109.828 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -127.16 103.46 7.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.665 1.186 . . . . 0.0 109.28 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.49 158.84 72.55 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 123.663 0.785 . . . . 0.0 111.442 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -63.87 162.42 28.88 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.845 2.363 . . . . 0.0 112.357 174.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.12 -5.49 27.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.584 0.754 . . . . 0.0 112.56 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.9 -19.4 64.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.87 1.268 . . . . 0.0 112.583 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.17 166.92 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.711 0.804 . . . . 0.0 111.768 -175.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.33 167.45 9.91 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.398 1.079 . . . . 0.0 111.438 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.06 124.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.393 0.677 . . . . 0.0 110.677 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -153.45 -178.44 7.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.174 0.99 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -76.39 155.65 33.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -58.49 -29.02 65.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.373 0.669 . . . . 0.0 112.224 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -58.14 -46.11 86.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.865 0.866 . . . . 0.0 111.284 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.53 -31.23 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 123.686 0.794 . . . . 0.0 109.636 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . 0.407 ' HA ' ' CG1' ' F' ' 51' ' ' ILE . 74.9 t80 -53.21 -33.97 55.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.225 1.01 . . . . 0.0 112.99 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.48 -22.02 65.49 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.446 0.698 . . . . 0.0 112.186 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.03 -23.0 26.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.7 0.8 . . . . 0.0 110.925 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . 0.407 ' CG1' ' HA ' ' F' ' 48' ' ' TYR . 6.2 mm -67.98 -56.59 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.761 171.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -74.64 2.95 8.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.132 0.973 . . . . 0.0 112.255 -171.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.89 -20.89 65.16 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.109 0.964 . . . . 0.0 112.795 169.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.03 27.61 0.03 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 169.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -160.34 -169.86 2.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.743 1.271 . . . . 0.0 111.377 -169.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -121.5 -27.08 4.84 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 123.461 0.705 . . . . 0.0 112.676 174.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.81 120.94 5.13 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.178 0.591 . . . . 0.0 110.18 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -65.58 170.07 11.73 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 122.463 2.109 . . . . 0.0 113.29 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 124.983 1.313 . . . . 0.0 112.855 178.14 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O4'-C1'-N19 112.193 3.993 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.36 3.16 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 O4'-C1'-N19 112.482 4.282 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.321 4.121 . 0.085 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C3'-C2'-C1' 104.325 3.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 C5'-C4'-C3' 108.719 -4.52 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 C5'-C4'-C3' 109.376 -4.082 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C3'-C2'-C1' 103.987 2.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.416 0 O5'-C5'-C4' 113.789 2.564 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C3'-C2'-C1' 104.62 3.467 . 0.134 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 111.919 3.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.421 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C5'-C4'-C3' 112.541 -1.973 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 C5'-C4'-C3' 108.534 -4.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 100.492 -2.208 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.782 3.582 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.239 3.039 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 O4'-C1'-N19 114.104 5.904 . 0.695 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.524 3.324 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C4'-C3'-C2' 100.095 -2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 O4'-C1'-N19 111.957 3.757 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 1 O4'-C1'-N19 112.473 4.273 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.11 2.91 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 O4'-C1'-N19 112.304 4.104 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 1 O4'-C1'-N19 112.217 4.017 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 N19-C1'-C2' 108.328 -3.17 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 100.518 -2.182 . 0.367 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.537 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 99.362 -3.338 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.441 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 C5'-C4'-C3' 111.779 -2.481 . 0.067 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 C5'-C4'-C3' 111.494 -2.671 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.473 HO2' ' P ' ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 C5'-C4'-C3' 109.165 -4.223 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.473 ' P ' HO2' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 P-O3'-C3' 125.16 4.55 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.139 2.939 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 112.236 4.036 . 0.896 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 99.238 -3.462 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 C4'-C3'-C2' 99.658 -3.042 . 0.435 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.611 3.411 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 O4'-C1'-N19 112.186 3.986 . 0.169 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 O4'-C1'-N19 111.245 3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C3'-C2'-C1' 103.477 2.197 . 0.247 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 1 O4'-C1'-N19 113.032 4.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 1 C5'-C4'-C3' 109.034 -4.311 . 0.021 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 2 C3'-C2'-C1' 106.472 5.525 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 0 O4'-C1'-N19 112.191 3.991 . 0.029 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.67 4.47 . 0.082 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 1 O4'-C1'-N19 112.837 4.637 . 0.242 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.373 3.173 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 O4'-C1'-N19 112.198 3.998 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.499 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 O4'-C1'-N19 111.141 2.941 . 0.488 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.499 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C4'-C3'-C2' 99.556 -3.144 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 110.982 2.782 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C5'-C4'-C3' 111.78 -2.48 . 0.45 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O5'-C5'-C4' 117.154 4.967 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C5'-C4'-C3' 111.793 -2.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 O4'-C1'-N19 112.329 4.129 . 0.911 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.204 -2.496 . 0.417 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 O4'-C1'-N19 111.347 3.147 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.361 0 C3'-C2'-C1' 104.507 3.341 . 0.201 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.53 3.33 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 112.026 3.826 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 0 O4'-C1'-N19 111.075 2.875 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.938 3.738 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 O4'-C1'-N19 112.072 3.872 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.521 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C3'-C2'-C1' 104.256 3.063 . 0.353 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.521 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C4'-C3'-C2' 99.227 -3.473 . 0.013 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C4'-C3' 108.561 2.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C5'-C4'-C3' 111.942 -2.372 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 2 C5'-C4'-C3' 108.466 -4.689 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 109.047 -4.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 99.837 -2.863 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 O4'-C1'-N19 112.496 4.296 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C4'-C3'-C2' 99.393 -3.307 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 110.561 2.361 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.18 112.56 25.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.652 0.781 . . . . 0.0 109.253 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.23 134.79 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.837 0.855 . . . . 0.0 110.116 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -131.19 159.2 38.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.222 1.009 . . . . 0.0 109.906 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -124.56 113.48 18.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.219 1.008 . . . . 0.0 108.643 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.32 139.96 49.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.401 0.68 . . . . 0.0 110.803 -167.781 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.0 162.3 13.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 118.663 0.665 . . . . 0.0 110.943 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 71.5 t -44.37 129.63 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.77 0.828 . . . . 0.0 110.847 175.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.42 81.67 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.376 0.989 . . . . 0.0 114.816 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -86.6 169.05 13.09 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 119.244 1.522 . . . . 0.0 112.548 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -137.87 141.8 40.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.103 0.961 . . . . 0.0 111.949 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.7 mm -124.29 154.13 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.162 1.785 . . . . 0.0 108.02 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.44 137.43 48.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.293 1.037 . . . . 0.0 110.114 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -135.21 127.99 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.012 0.925 . . . . 0.0 109.31 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.79 -134.96 35.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -121.03 -1.12 9.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.963 0.905 . . . . 0.0 112.232 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.35 -20.15 2.7 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.99 139.22 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 118.745 0.702 . . . . 0.0 110.74 -169.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 m -137.41 140.96 41.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.289 1.036 . . . . 0.0 109.284 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 mm -124.19 124.74 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.167 0.987 . . . . 0.0 108.69 -176.092 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -118.88 136.04 54.25 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.754 0.821 . . . . 0.0 109.577 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -89.89 112.45 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.16 -22.55 36.03 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.909 -0.495 . . . . 0.0 110.045 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.15 -167.98 39.04 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 117.881 0.31 . . . . 0.0 113.665 168.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.01 161.01 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.061 0.945 . . . . 0.0 111.428 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -143.63 69.25 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.769 1.228 . . . . 0.0 109.401 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.16 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -71.08 -12.04 61.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.853 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -98.91 157.41 16.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.061 0.934 . . . . 0.0 112.222 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -138.48 124.01 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.021 1.728 . . . . 0.0 108.118 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -103.29 101.88 11.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.546 0.739 . . . . 0.0 110.45 -175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -108.55 133.62 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.523 1.529 . . . . 0.0 109.604 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.82 133.77 11.84 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 169.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.78 132.56 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.657 1.183 . . . . 0.0 108.363 175.517 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -119.02 75.06 1.01 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.631 1.172 . . . . 0.0 109.389 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.48 152.53 44.67 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.546 174.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.56 156.84 49.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.491 2.127 . . . . 0.0 110.621 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -67.88 -2.97 8.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.87 -30.85 71.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.867 0.867 . . . . 0.0 111.571 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -120.23 144.11 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.882 0.848 . . . . 0.0 111.891 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.08 143.08 41.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.53 1.132 . . . . 0.0 111.741 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.88 120.89 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.224 0.61 . . . . 0.0 109.428 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -148.92 171.99 15.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.371 0.669 . . . . 0.0 111.198 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.11 158.96 16.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.521 0.728 . . . . 0.0 110.948 169.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.55 -28.23 69.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -167.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -74.69 -5.29 42.35 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.207 -0.933 . . . . 0.0 113.186 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.69 -30.07 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.774 1.23 . . . . 0.0 110.871 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.84 -32.13 72.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 118.886 0.766 . . . . 0.0 110.529 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.14 -13.31 60.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.416 0.686 . . . . 0.0 112.077 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -78.66 -33.56 47.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.822 0.849 . . . . 0.0 110.887 169.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 32.2 mt -64.72 -52.62 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.9 mm-40 -84.21 5.28 27.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.544 0.738 . . . . 0.0 112.266 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -29.86 68.01 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.784 0.434 . . . . 0.0 111.014 168.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.36 9.23 0.04 OUTLIER Glycine 0 CA--C 1.526 0.774 0 CA-C-O 119.201 -0.777 . . . . 0.0 113.535 170.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 18.5 mt -86.13 90.57 8.17 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.872 1.336 . . . . 0.0 108.272 -173.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.2 p 162.59 -36.57 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 127.807 2.443 . . . . 0.0 108.632 -169.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.14 153.53 95.92 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.705 1.202 . . . . 0.0 112.677 -169.346 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.02 164.82 33.4 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 123.433 2.755 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 124.825 1.25 . . . . 0.0 112.204 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.8 tpp . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.492 -0.289 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -114.01 120.68 41.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.94 139.18 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.791 0.437 . . . . 0.0 112.078 -165.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.66 142.72 45.19 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.987 1.315 . . . . 0.0 110.716 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -118.34 100.98 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -126.59 157.28 39.28 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 124.052 0.941 . . . . 0.0 110.874 -169.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -92.03 168.77 11.16 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -61.3 137.53 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.487 0.66 . . . . 0.0 111.241 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.65 -1.52 81.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.104 -0.831 . . . . 0.0 114.219 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.89 159.32 20.36 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.768 1.284 . . . . 0.0 112.285 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -127.33 143.63 51.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.273 1.029 . . . . 0.0 110.891 -169.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.0 mt -137.43 151.75 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.134 1.374 . . . . 0.0 109.223 -170.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -136.1 140.58 43.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.086 0.554 . . . . 0.0 111.729 -169.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.46 129.83 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.829 0.851 . . . . 0.0 109.759 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.59 -137.16 50.49 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -174.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.85 5.06 7.34 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.749 0.819 . . . . 0.0 112.656 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -112.54 -20.03 11.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.7 135.38 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 119.045 0.838 . . . . 0.0 111.474 -169.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -130.97 148.22 52.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 109.802 169.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.31 141.33 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.054 1.741 . . . . 0.0 108.059 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -133.48 128.03 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.91 106.1 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 169.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -74.4 -32.64 62.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.992 -0.442 . . . . 0.0 110.78 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 167.87 21.47 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 122.844 0.259 . . . . 0.0 112.545 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.09 147.1 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 109.804 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -123.67 78.71 1.63 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.58 -119.3 4.96 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -174.11 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.8 10.44 38.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.925 0.49 . . . . 0.0 111.043 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -98.92 155.39 17.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.199 1.0 . . . . 0.0 110.087 173.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -137.14 104.88 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.02 115.2 21.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.218 1.007 . . . . 0.0 108.637 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 pt -133.11 139.71 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.354 0.662 . . . . 0.0 111.106 -175.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.37 140.54 15.04 Favored Glycine 0 C--N 1.333 0.394 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.624 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -120.87 129.2 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -129.4 79.62 1.92 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.411 -167.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.32 157.35 72.87 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-N 113.919 -1.492 . . . . 0.0 109.354 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -59.32 154.5 46.43 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 121.598 1.532 . . . . 0.0 109.893 168.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -70.0 -0.91 8.34 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.822 0.849 . . . . 0.0 111.843 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.85 -24.43 66.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.883 1.673 . . . . 0.0 111.042 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.51 144.0 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.59 1.156 . . . . 0.0 109.687 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.514 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -87.26 141.24 28.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.241 0.543 . . . . 0.0 111.149 172.167 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.431 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 11.2 t -142.49 99.22 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.988 -166.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.514 ' HE2' ' HB1' ' B' ' 41' ' ' ALA . 0.5 OUTLIER -147.41 170.15 17.99 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 124.307 1.043 . . . . 0.0 111.228 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -76.92 161.78 28.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.191 -0.318 . . . . 0.0 111.496 169.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -52.03 -42.43 63.07 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 123.739 0.816 . . . . 0.0 112.462 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -47.99 -48.97 32.21 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.734 0.414 . . . . 0.0 110.89 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.23 -47.56 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.117 1.367 . . . . 0.0 110.135 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -49.84 -38.22 34.05 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.425 1.09 . . . . 0.0 111.73 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -68.28 -27.3 66.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -81.12 -38.12 27.76 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.244 0.929 . . . . 0.0 110.516 172.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.59 -41.63 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -79.61 4.94 14.45 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.74 -19.23 49.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.275 0.489 . . . . 0.0 111.501 168.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.39 46.11 0.08 OUTLIER Glycine 0 C--N 1.339 0.71 0 CA-C-O 119.455 -0.636 . . . . 0.0 114.267 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.06 -175.55 2.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.941 0.871 . . . . 0.0 112.724 -168.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -125.09 177.23 6.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.159 1.384 . . . . 0.0 109.578 167.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.76 118.91 1.09 Allowed Pre-proline 0 N--CA 1.455 -0.191 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -63.51 169.02 10.4 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.266 1.977 . . . . 0.0 114.582 -168.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 112.583 -179.473 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.52 111.35 22.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 167.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.38 134.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.035 0.934 . . . . 0.0 109.61 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -130.36 142.92 50.5 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.815 1.246 . . . . 0.0 109.972 172.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -106.64 141.44 37.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.802 0.441 . . . . 0.0 111.124 171.042 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -139.1 138.74 37.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.613 0.765 . . . . 0.0 110.957 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.407 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.4 tptm -74.64 156.17 37.0 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.15 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.06 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 119.283 0.947 . . . . 0.0 112.156 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.01 -5.69 81.82 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 125.096 1.331 . . . . 0.0 114.031 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -90.0 179.38 5.97 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.949 1.374 . . . . 0.0 112.168 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -141.63 158.91 43.24 Favored 'General case' 0 C--N 1.339 0.122 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -167.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.0 mt -139.36 156.44 26.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.568 2.347 . . . . 0.0 108.439 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -131.42 146.78 52.42 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.277 1.031 . . . . 0.0 111.751 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -132.56 131.22 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.433 1.093 . . . . 0.0 108.701 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -137.79 48.4 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -169.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -122.57 6.74 9.49 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.808 0.843 . . . . 0.0 111.753 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -120.44 -11.79 9.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.845 0.858 . . . . 0.0 112.842 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.37 133.48 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.505 0.722 . . . . 0.0 110.449 -176.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.86 141.26 52.07 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.399 1.08 . . . . 0.0 109.672 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.3 mm -119.48 136.83 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.829 1.252 . . . . 0.0 108.431 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -130.04 127.14 39.32 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.741 0.416 . . . . 0.0 110.183 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -79.88 108.59 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 168.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -84.63 -33.66 23.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -175.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.34 -173.03 43.09 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 120.236 -0.202 . . . . 0.0 113.572 168.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.0 152.09 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.359 0.664 . . . . 0.0 110.909 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -141.95 99.14 3.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.492 1.117 . . . . 0.0 108.343 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.56 -124.65 15.89 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -94.27 -4.44 48.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.592 1.157 . . . . 0.0 112.109 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -80.86 151.13 28.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.879 0.847 . . . . 0.0 111.081 173.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.9 112.81 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.7 ttm180 -76.19 110.5 10.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 170.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -114.48 128.16 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.614 1.166 . . . . 0.0 109.301 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.35 140.61 15.08 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.818 0.723 . . . . 0.0 111.638 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.85 121.75 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.579 1.152 . . . . 0.0 108.463 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -115.91 103.01 10.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.245 0.618 . . . . 0.0 109.666 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.18 60.38 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.295 1.038 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -63.17 152.27 80.53 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.915 2.41 . . . . 0.0 111.231 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.59 -0.97 3.16 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.201 0.6 . . . . 0.0 112.551 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.92 -22.59 66.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.908 0.883 . . . . 0.0 111.064 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.68 146.53 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.432 1.093 . . . . 0.0 110.398 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.46 154.53 19.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.68 0.392 . . . . 0.0 111.233 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.75 131.51 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.038 0 C-N-CA 123.044 0.537 . . . . 0.0 110.183 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -157.32 159.31 37.38 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -66.2 147.81 52.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -61.14 -30.58 70.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.601 0.637 . . . . 0.0 112.426 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.88 -46.6 78.24 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.83 0.852 . . . . 0.0 111.651 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.92 -31.69 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.618 0.767 . . . . 0.0 110.561 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -54.07 -36.55 63.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.84 0.856 . . . . 0.0 112.219 178.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.68 -30.42 71.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.957 0.503 . . . . 0.0 112.029 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -71.63 -34.78 70.08 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.615 0.766 . . . . 0.0 111.813 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 6.8 mm -59.91 -28.1 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 123.405 0.682 . . . . 0.0 110.394 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -99.49 2.0 44.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.521 1.128 . . . . 0.0 111.871 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.89 -4.99 54.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.104 0.961 . . . . 0.0 112.987 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.78 110.3 2.11 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.211 0.91 . . . . 0.0 111.209 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 79.5 mt -133.13 151.28 52.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.128 0.971 . . . . 0.0 110.733 -171.59 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 36.8 p -94.03 -13.46 26.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.388 0.675 . . . . 0.0 112.626 175.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.59 86.47 16.14 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 123.715 0.806 . . . . 0.0 110.972 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -64.36 152.63 80.67 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.943 2.428 . . . . 0.0 111.074 169.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 CA--C 1.531 0.243 0 C-N-CA 125.879 1.672 . . . . 0.0 115.27 170.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.1 tpp . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.7 113.81 24.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.537 1.535 . . . . 0.0 108.863 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.1 mp -104.44 137.53 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.775 1.23 . . . . 0.0 109.969 -176.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -132.72 167.35 20.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.242 1.417 . . . . 0.0 111.132 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.37 114.8 28.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 165.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.77 134.78 51.63 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.028 0.931 . . . . 0.0 110.314 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -92.37 157.12 16.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 119.102 0.864 . . . . 0.0 111.594 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -48.9 136.23 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.246 176.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.82 -6.28 79.53 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.538 1.066 . . . . 0.0 114.265 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.39 178.17 5.91 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.997 1.399 . . . . 0.0 112.523 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -136.9 161.4 36.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.075 0.95 . . . . 0.0 112.823 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -137.36 157.98 34.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.165 2.186 . . . . 0.0 108.397 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -123.37 149.83 44.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.461 0.704 . . . . 0.0 111.584 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.3 mt -134.61 129.22 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.742 1.217 . . . . 0.0 109.254 174.087 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.63 -133.69 44.41 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.04 9.46 5.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.641 0.776 . . . . 0.0 112.628 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.63 -19.51 6.83 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.48 132.03 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.827 0.739 . . . . 0.0 110.532 -171.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -121.92 145.29 48.24 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.863 0.865 . . . . 0.0 109.891 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -123.8 143.67 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.26 1.424 . . . . 0.0 108.289 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -137.25 128.12 27.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.362 0.665 . . . . 0.0 109.343 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.33 97.77 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.56 -32.81 68.52 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.058 0.543 . . . . 0.0 111.17 -169.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.06 -175.04 45.44 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-O 121.393 0.441 . . . . 0.0 113.047 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.35 129.57 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.445 1.098 . . . . 0.0 110.111 -179.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -132.59 88.41 2.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.533 1.533 . . . . 0.0 108.739 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.78 -125.26 9.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.407 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 64.7 mm-40 -89.46 -11.21 43.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 117.276 0.538 . . . . 0.0 111.373 171.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.2 134.89 36.17 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.617 0.722 . . . . 0.0 110.774 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -119.13 122.15 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -95.76 107.25 19.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.963 0.905 . . . . 0.0 108.706 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.75 125.43 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.74 0.816 . . . . 0.0 109.835 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.03 136.22 13.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.17 142.62 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.855 0.862 . . . . 0.0 108.791 173.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -137.97 90.0 2.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.82 0.848 . . . . 0.0 108.903 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.47 154.74 62.88 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.706 1.202 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.41 148.94 88.8 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 121.991 1.794 . . . . 0.0 110.67 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.0 -4.79 10.56 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -68.22 -18.62 64.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.345 1.458 . . . . 0.0 112.441 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -125.61 159.58 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.863 0.865 . . . . 0.0 110.397 174.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.36 157.03 16.19 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.46 125.81 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.94 0.496 . . . . 0.0 109.98 168.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -148.56 165.63 30.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.478 0.711 . . . . 0.0 111.25 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.75 156.72 19.61 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 167.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -61.57 -31.53 71.58 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.457 0.571 . . . . 0.0 110.639 169.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -50.97 -50.34 58.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.355 1.462 . . . . 0.0 111.456 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -81.71 -40.54 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.182 0.993 . . . . 0.0 110.014 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -47.56 -39.66 17.06 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.24 1.416 . . . . 0.0 112.224 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.54 -31.42 66.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.498 1.119 . . . . 0.0 112.619 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -72.71 -34.67 67.28 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.527 0.603 . . . . 0.0 110.953 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.428 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.4 mp -73.12 -18.86 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.406 0.682 . . . . 0.0 109.609 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -90.67 -23.4 20.77 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 172.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.08 -35.29 5.7 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -169.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.17 74.19 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 C-N-CA 125.879 1.704 . . . . 0.0 109.475 -169.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.631 ' CD1' ' H ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER -68.57 144.88 54.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 126.978 2.111 . . . . 0.0 110.492 -168.379 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . 0.263 0.6 OUTLIER -139.64 16.99 2.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 175.185 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.69 95.6 7.05 Favored Pre-proline 0 N--CA 1.453 -0.289 0 O-C-N 121.72 -0.612 . . . . 0.0 109.969 169.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -66.19 173.99 6.61 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.119 2.546 . . . . 0.0 114.046 -173.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.881 0.872 . . . . 0.0 111.761 178.761 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 10.1 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 142.44 51.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.708 0.803 . . . . 0.0 109.75 169.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mm -118.86 123.17 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.036 0.935 . . . . 0.0 109.16 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.59 151.65 39.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.584 1.554 . . . . 0.0 110.278 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.36 118.44 19.41 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 168.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -133.32 162.07 32.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.279 1.032 . . . . 0.0 110.214 -171.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -122.75 164.94 17.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.388 0.675 . . . . 0.0 110.667 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.35 138.3 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 CA-C-O 120.939 0.399 . . . . 0.0 111.972 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.63 84.11 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.946 0.784 . . . . 0.0 114.443 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -91.54 170.45 9.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.842 1.321 . . . . 0.0 111.792 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.2 m -135.05 155.24 51.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -170.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 30.0 mt -132.79 155.23 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.298 1.839 . . . . 0.0 107.876 178.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -139.01 145.26 39.44 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.596 -0.69 . . . . 0.0 112.189 -169.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 59.9 mt -134.49 138.1 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.528 1.131 . . . . 0.0 109.325 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.04 -133.23 50.96 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.55 9.98 7.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.465 1.106 . . . . 0.0 111.464 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.61 -9.55 1.41 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -169.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.51 135.0 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 119.023 0.829 . . . . 0.0 110.595 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 79.9 m -132.68 143.53 49.7 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.118 0.967 . . . . 0.0 110.406 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.1 mm -117.63 139.6 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.843 1.657 . . . . 0.0 107.924 173.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -135.68 124.27 23.66 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.975 0.51 . . . . 0.0 110.108 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.82 109.48 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.76 -31.11 61.68 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.189 -0.319 . . . . 0.0 110.309 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.7 179.44 29.11 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 123.432 0.539 . . . . 0.0 113.462 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 m -108.86 154.19 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.648 0.779 . . . . 0.0 112.041 -175.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.8 m -143.52 89.94 2.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.538 1.535 . . . . 0.0 108.499 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.22 -130.01 48.4 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -171.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -70.85 -18.13 62.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . 0.469 ' CG ' HG21 ' F' ' 5' ' ' THR . 12.0 tt0 -86.71 144.79 26.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.297 0.639 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 t -139.66 119.79 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -169.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -95.92 124.44 39.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.092 0.557 . . . . 0.0 109.666 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.25 130.82 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.254 0.622 . . . . 0.0 110.871 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.72 143.44 17.16 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.111 0.862 . . . . 0.0 111.549 171.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.93 124.9 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.911 1.284 . . . . 0.0 108.608 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -127.03 98.99 5.52 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.934 0.493 . . . . 0.0 109.724 -169.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.57 155.53 71.68 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.389 1.075 . . . . 0.0 110.736 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.68 159.34 37.52 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.984 2.456 . . . . 0.0 112.066 171.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -69.11 -0.84 6.4 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 123.349 0.66 . . . . 0.0 112.656 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.96 -23.0 67.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.706 1.202 . . . . 0.0 111.489 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.3 154.88 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.25 1.02 . . . . 0.0 110.568 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.47 155.79 19.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.475 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.01 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.789 0.435 . . . . 0.0 110.306 168.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -150.75 168.8 23.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.113 0.965 . . . . 0.0 110.278 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -78.6 161.32 27.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.762 -0.586 . . . . 0.0 109.968 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.55 -25.07 64.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -52.31 65.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.825 0.85 . . . . 0.0 111.806 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -75.82 -32.87 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.889 0.875 . . . . 0.0 109.838 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -55.88 -35.05 66.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.254 1.022 . . . . 0.0 112.716 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -68.19 -27.07 66.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.49 -23.0 61.72 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.691 0.796 . . . . 0.0 110.608 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -96.7 -47.4 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.945 0.898 . . . . 0.0 109.814 -170.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -71.15 3.0 3.85 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.29 -26.23 68.29 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.713 0.805 . . . . 0.0 112.37 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.51 29.59 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 CA-C-O 119.313 -0.715 . . . . 0.0 114.83 169.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -160.07 -173.48 4.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.291 1.045 . . . . 0.0 111.481 -169.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -127.7 -31.77 2.42 Favored 'General case' 0 N--CA 1.458 -0.04 0 C-N-CA 123.35 0.66 . . . . 0.0 111.878 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.9 126.8 28.57 Favored Pre-proline 0 N--CA 1.455 -0.223 0 C-N-CA 123.659 0.784 . . . . 0.0 110.096 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -49.94 144.17 22.16 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.354 2.703 . . . . 0.0 114.101 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 CA--C 1.53 0.179 0 C-N-CA 125.831 1.652 . . . . 0.0 115.126 169.376 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.92 151.03 20.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.054 0.541 . . . . 0.0 111.505 173.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.75 122.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.22 150.48 32.28 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.67 1.588 . . . . 0.0 108.759 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 5' ' ' THR . . . . . 0.469 HG21 ' CG ' ' E' ' 29' ' ' GLN . 2.8 m -130.44 102.27 6.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.917 0.326 . . . . 0.0 110.715 171.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.72 162.17 33.08 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -100.01 171.17 8.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -61.74 142.85 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.867 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.87 -1.96 84.9 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 123.746 0.689 . . . . 0.0 113.998 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . 0.424 ' HG2' ' H ' ' F' ' 11' ' ' SER . 13.2 tt0 -91.12 -178.97 5.32 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.323 1.049 . . . . 0.0 111.516 177.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' SER . . . . . 0.424 ' H ' ' HG2' ' F' ' 10' ' ' GLU . 74.6 m -146.59 153.31 40.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.782 0.833 . . . . 0.0 111.688 -169.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.58 151.85 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.367 1.467 . . . . 0.0 108.447 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -127.28 150.03 49.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.576 -0.703 . . . . 0.0 112.607 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.8 mt -136.03 141.9 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.559 1.144 . . . . 0.0 108.979 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.86 -136.92 49.84 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -121.35 10.08 10.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.327 1.051 . . . . 0.0 111.508 175.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.79 -23.8 0.77 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -169.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.38 136.39 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 119.05 0.841 . . . . 0.0 110.45 -172.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -128.24 136.82 51.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.264 1.026 . . . . 0.0 110.191 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -112.02 140.33 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.959 1.304 . . . . 0.0 108.085 169.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -134.92 135.97 41.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.774 0.829 . . . . 0.0 109.659 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -96.57 116.53 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.92 -27.0 28.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.885 0.474 . . . . 0.0 110.542 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.36 -171.71 30.22 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.273 0.463 . . . . 0.0 113.118 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -125.06 159.71 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.258 0.623 . . . . 0.0 112.29 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 20.2 t -148.28 89.94 1.76 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.824 1.25 . . . . 0.0 108.842 169.369 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 -122.63 29.82 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -73.13 -15.84 61.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.39 141.89 28.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 110.808 -176.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.4 113.14 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 126.764 2.026 . . . . 0.0 106.637 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.75 128.17 37.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.625 0.77 . . . . 0.0 108.952 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.29 142.2 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.995 0.918 . . . . 0.0 110.879 -166.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.3 143.11 16.39 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.498 1.046 . . . . 0.0 110.919 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -129.7 135.25 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.134 0.973 . . . . 0.0 108.996 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -134.86 109.22 8.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.602 0.761 . . . . 0.0 109.755 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.32 157.76 74.84 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 123.742 0.817 . . . . 0.0 111.625 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -66.85 162.12 39.12 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.047 2.498 . . . . 0.0 112.148 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -64.15 -16.39 61.78 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.227 1.011 . . . . 0.0 112.752 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.8 -16.74 64.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.133 1.373 . . . . 0.0 112.67 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.36 165.08 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 111.189 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.88 164.03 12.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.248 0.619 . . . . 0.0 111.734 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.07 127.85 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.655 0.782 . . . . 0.0 110.344 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.85 169.1 24.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.075 0.95 . . . . 0.0 110.98 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -87.42 165.43 15.57 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 167.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -22.52 65.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.67 -40.49 88.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.295 0.638 . . . . 0.0 111.131 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.32 -37.93 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.288 0.635 . . . . 0.0 109.303 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -55.22 -35.65 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.662 0.785 . . . . 0.0 112.668 -179.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -67.09 -22.0 65.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.428 0.691 . . . . 0.0 112.249 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -85.07 -23.01 28.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.363 0.665 . . . . 0.0 111.446 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.06 -57.07 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.627 0.771 . . . . 0.0 109.359 171.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -76.54 3.03 12.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.816 0.846 . . . . 0.0 112.36 -170.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.06 -25.2 66.77 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.138 0.975 . . . . 0.0 112.455 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.05 30.73 0.03 OUTLIER Glycine 0 CA--C 1.525 0.684 0 CA-C-O 119.366 -0.686 . . . . 0.0 114.495 169.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.17 -174.0 4.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.281 1.04 . . . . 0.0 111.696 -169.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 15.3 m -139.66 143.39 37.12 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.957 0.903 . . . . 0.0 109.627 169.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 49.53 79.73 0.33 Allowed Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 125.444 1.498 . . . . 0.0 113.075 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.81 161.44 12.71 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.349 2.699 . . . . 0.0 114.49 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 125.707 1.603 . . . . 0.0 113.127 176.482 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O4'-C1'-N19 112.062 3.862 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.989 3.789 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.034 1 O4'-C1'-N19 112.891 4.691 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 112.088 3.888 . 0.227 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.755 3.555 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-O4' 114.684 3.917 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 1 O4'-C1'-N19 112.274 4.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.601 3.445 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 O4'-C1'-N19 110.57 2.37 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.286 0 C5'-C4'-C3' 110.384 -3.41 . 0.21 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 O4'-C1'-N19 111.384 3.184 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C5'-C4'-C3' 111.8 -2.467 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 C5'-C4'-C3' 108.844 -4.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 100.574 -2.126 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.744 3.544 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 0 O4'-C1'-N19 111.593 3.393 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.554 3.354 . 0.868 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 N19-C1'-C2' 109.574 -2.391 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 110.88 2.68 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 112.157 3.957 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 1 O4'-C1'-N19 112.439 4.239 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O4'-C1'-N19 110.667 2.467 . 0.115 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 113.013 4.813 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 112.032 3.832 . 0.46 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 N19-C1'-C2' 108.062 -3.336 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 C4'-C3'-C2' 99.518 -3.182 . 0.391 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.487 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 111.887 -2.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.431 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -3.361 0 C3'-C2'-C1' 99.569 -2.145 . 0.054 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 111.55 -2.634 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.49 HO2' ' P ' ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 C5'-C4'-C3' 109.265 -4.157 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.49 ' P ' HO2' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 P-O3'-C3' 125.123 4.52 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.205 3.005 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 O4'-C1'-N19 112.49 4.29 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C4'-C3'-C2' 99.188 -3.512 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 110.989 2.789 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 111.42 3.22 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O4'-C1'-N19 111.967 3.767 . 0.083 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 112.138 3.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 0 C3'-C2'-C1' 104.125 2.917 . 0.201 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 1 O4'-C1'-N19 113.205 5.005 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 C5'-C4'-C3' 108.674 -4.551 . 0.023 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.3 4.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 1 O4'-C1'-N19 112.671 4.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.98 1 O4'-C1'-N19 112.562 4.362 . 0.074 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 1 O4'-C1'-N19 112.652 4.452 . 0.352 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.053 2.853 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 112.125 3.925 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.48 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C3'-C2'-C1' 104.977 3.863 . 0.223 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.48 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C4'-C3'-C2' 99.628 -3.072 . 0.012 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 111.421 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 C5'-C4'-C3' 111.051 -2.966 . 0.423 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 1 O5'-C5'-C4' 116.932 4.808 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 110.221 2.021 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 112.676 4.476 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.248 -2.452 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.046 2.846 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 O4'-C1'-N19 111.608 3.408 . 0.09 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 112.102 3.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.201 4.001 . 0.069 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 O4'-C1'-N19 111.289 3.089 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 O4'-C1'-N19 111.566 3.366 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.922 3.722 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.479 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C3'-C2'-C1' 104.619 3.466 . 0.166 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.479 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C4'-C3'-C2' 99.671 -3.029 . 0.086 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C4'-C3' 108.883 2.416 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.469 0 C5'-C4'-C3' 110.912 -3.059 . 0.162 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.334 2 C5'-C4'-C3' 105.561 -6.626 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 1 P-O3'-C3' 125.768 5.057 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 110.882 2.682 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 1 O4'-C1'-N19 112.775 4.575 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 110.993 2.793 . 0.237 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O4'-C1'-N19 111.23 3.03 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.57 116.42 30.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 109.603 -176.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.4 135.27 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.717 0.807 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.7 mt -133.69 159.6 40.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.594 1.158 . . . . 0.0 109.295 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.6 m -124.99 100.99 6.84 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -106.46 136.37 46.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.301 0.64 . . . . 0.0 110.835 -172.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -94.57 156.14 16.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -61.37 129.59 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.586 -169.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.25 -6.31 53.29 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.486 1.041 . . . . 0.0 114.16 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.78 169.57 10.37 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.823 1.312 . . . . 0.0 112.086 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -138.83 149.34 44.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -168.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 32.1 mm -113.97 152.03 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 125.525 1.53 . . . . 0.0 109.885 169.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -123.43 136.08 54.43 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.751 1.221 . . . . 0.0 109.701 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.57 130.26 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.256 1.022 . . . . 0.0 109.425 -172.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.1 24.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -129.99 0.83 4.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.041 0.936 . . . . 0.0 111.847 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -138.81 -9.11 1.38 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -114.26 138.73 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 118.973 0.806 . . . . 0.0 110.431 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -135.36 149.94 49.82 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.513 0.725 . . . . 0.0 109.185 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 mm -130.3 139.56 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.036 1.334 . . . . 0.0 107.925 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.1 m -135.28 128.7 32.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.02 101.81 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -31.58 66.14 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.617 -0.677 . . . . 0.0 110.394 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.44 -171.6 40.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.451 0.94 . . . . 0.0 115.451 165.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.39 146.45 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.377 1.071 . . . . 0.0 111.892 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -137.57 60.92 1.62 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.297 1.439 . . . . 0.0 110.014 -176.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.63 -128.45 8.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -76.37 -15.56 59.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.309 0.555 . . . . 0.0 111.964 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.463 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 3.0 pt20 -98.79 148.6 23.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 122.411 1.101 . . . . 0.0 112.7 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.3 121.08 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.432 1.893 . . . . 0.0 109.573 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpp85 -83.57 107.32 15.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.351 . . . . 0.0 111.652 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mt -107.49 139.2 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.577 1.551 . . . . 0.0 109.229 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.59 139.75 15.45 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.081 0.848 . . . . 0.0 111.662 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.51 138.88 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.947 1.299 . . . . 0.0 108.906 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -124.62 74.97 1.37 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.229 1.412 . . . . 0.0 109.395 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.24 153.51 51.56 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.833 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.94 157.17 43.2 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.661 2.241 . . . . 0.0 110.806 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.55 -3.57 9.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.89 -31.01 71.69 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.059 0.944 . . . . 0.0 111.706 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -119.62 143.97 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-O 121.856 0.836 . . . . 0.0 111.483 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 143.04 36.94 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.848 0.859 . . . . 0.0 111.194 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -132.23 119.03 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.54 0.736 . . . . 0.0 109.35 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -151.27 154.33 36.58 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.968 0.507 . . . . 0.0 111.251 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 163.72 23.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.175 -0.328 . . . . 0.0 111.651 169.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -60.15 -34.76 74.0 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -80.24 1.59 27.84 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.449 -0.782 . . . . 0.0 112.674 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.8 mt -125.57 -7.95 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.052 1.341 . . . . 0.0 110.893 175.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -80.05 -39.64 29.39 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 120.379 -1.451 . . . . 0.0 110.798 170.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.48 -14.94 60.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.038 0.535 . . . . 0.0 112.225 -172.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.8 ptp180 -82.37 -23.4 35.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 111.697 171.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt -77.76 -49.38 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.399 0.68 . . . . 0.0 109.789 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -77.88 5.12 10.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.352 0.661 . . . . 0.0 111.526 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.83 76.37 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.722 0.809 . . . . 0.0 112.126 172.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.87 46.6 0.01 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 123.27 0.462 . . . . 0.0 112.566 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 25.2 mt -118.52 173.88 6.58 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.676 1.19 . . . . 0.0 108.474 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t 47.81 32.27 2.61 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.193 1.397 . . . . 0.0 113.941 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.01 160.36 49.51 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.407 1.083 . . . . 0.0 111.346 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.97 -17.18 41.27 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.192 2.595 . . . . 0.0 112.864 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 123.267 0.627 . . . . 0.0 111.088 -169.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.44 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 34.2 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.631 -0.224 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.54 120.69 41.86 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . 0.403 HD13 " H5'" ' G' ' 52' ' ' ' A' . 51.5 mt -116.71 134.0 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.236 0.614 . . . . 0.0 111.499 -165.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -138.81 148.04 43.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.077 1.351 . . . . 0.0 110.686 -169.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.9 m -111.81 120.2 41.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.82 124.49 43.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 110.434 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.463 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 36.8 ttpt -88.02 151.98 22.37 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.54 133.98 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-O 121.221 0.534 . . . . 0.0 111.742 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.34 -11.63 68.72 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.131 -0.816 . . . . 0.0 114.484 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -84.1 168.98 15.35 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.854 1.327 . . . . 0.0 111.763 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -138.61 156.78 47.16 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -168.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -129.46 148.29 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 C-N-CA 126.93 2.092 . . . . 0.0 108.956 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -121.16 146.18 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.294 1.038 . . . . 0.0 110.249 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -133.83 129.11 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.868 0.867 . . . . 0.0 110.093 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -134.86 51.38 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.33 5.06 6.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.768 0.827 . . . . 0.0 112.833 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -115.59 -17.98 11.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.99 133.27 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 119.363 0.983 . . . . 0.0 111.453 -169.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -127.24 146.89 50.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.449 1.1 . . . . 0.0 109.785 169.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -129.83 142.06 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.412 1.485 . . . . 0.0 108.367 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -138.45 130.99 29.07 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.034 0.533 . . . . 0.0 110.415 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.05 106.8 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -73.12 -34.06 65.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.95 -0.469 . . . . 0.0 110.615 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.71 171.83 27.18 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.13 147.49 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 121.196 0.522 . . . . 0.0 109.905 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -125.82 74.68 1.44 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.302 1.041 . . . . 0.0 108.613 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -122.03 5.62 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 8.69 42.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.15 -0.618 . . . . 0.0 111.089 172.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -98.97 158.01 15.94 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.176 0.99 . . . . 0.0 109.807 169.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 t -140.98 114.7 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.879 -170.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -83.02 116.71 22.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 109.843 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.45 131.24 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.423 1.089 . . . . 0.0 109.628 -171.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.49 138.17 13.77 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 111.564 -0.615 . . . . 0.0 111.564 172.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -123.12 132.83 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.923 0.889 . . . . 0.0 109.293 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -133.04 79.2 1.83 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.186 -168.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.96 157.61 68.68 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.942 -1.481 . . . . 0.0 109.584 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.37 157.66 34.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.088 1.859 . . . . 0.0 111.67 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -68.99 -0.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.194 0.998 . . . . 0.0 112.2 168.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.85 -25.1 67.04 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.121 1.369 . . . . 0.0 111.306 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -114.36 144.07 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.58 1.152 . . . . 0.0 110.298 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.453 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -87.55 143.05 27.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.297 0.57 . . . . 0.0 111.344 170.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.24 97.49 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.313 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.512 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -144.61 163.46 33.86 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.923 0.889 . . . . 0.0 111.275 178.612 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.8 ptt-85 -66.26 158.01 30.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.325 -0.234 . . . . 0.0 110.909 169.264 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -54.37 -37.4 64.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.39 0.676 . . . . 0.0 112.394 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.46 -46.52 48.08 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.196 0.453 . . . . 0.0 111.182 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.91 -47.14 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 125.338 1.455 . . . . 0.0 110.035 -172.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -50.1 -36.94 31.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.248 1.019 . . . . 0.0 111.793 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.96 -23.84 64.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -83.92 -38.14 21.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 119.23 0.923 . . . . 0.0 110.913 170.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.57 -41.23 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -79.4 5.06 13.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.2 -19.14 47.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.946 0.498 . . . . 0.0 111.456 168.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.93 45.88 0.08 OUTLIER Glycine 0 C--N 1.339 0.697 0 CA-C-O 119.45 -0.639 . . . . 0.0 114.482 168.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.97 -175.98 2.5 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.926 0.863 . . . . 0.0 112.993 -168.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -125.79 177.49 6.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.588 1.555 . . . . 0.0 109.191 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.5 119.14 1.06 Allowed Pre-proline 0 CA--C 1.53 0.21 0 C-N-CA 124.833 1.253 . . . . 0.0 112.176 179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -71.35 -179.35 3.54 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.649 1.566 . . . . 0.0 114.419 -169.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.557 -176.197 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 22.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.26 102.8 9.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 166.389 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.9 133.22 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 123.646 0.779 . . . . 0.0 109.437 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -129.97 139.14 51.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.415 1.086 . . . . 0.0 109.555 169.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -101.22 146.25 27.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.265 0.555 . . . . 0.0 110.603 169.142 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -138.17 143.79 40.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.333 0.653 . . . . 0.0 109.97 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.42 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 0.5 OUTLIER -80.89 154.75 26.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 167.615 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.26 134.14 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 O-C-N 121.512 -0.742 . . . . 0.0 111.431 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -4.79 77.3 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.529 1.062 . . . . 0.0 114.173 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -88.05 175.89 7.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.212 1.506 . . . . 0.0 112.073 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -137.83 158.26 44.72 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -167.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mt -139.33 156.35 26.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.624 2.37 . . . . 0.0 108.801 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -129.5 146.15 51.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.854 1.262 . . . . 0.0 111.377 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -135.16 138.02 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.467 1.107 . . . . 0.0 109.893 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.83 -132.5 51.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -130.0 10.04 5.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.808 0.843 . . . . 0.0 110.976 169.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.6 -10.73 3.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.483 1.113 . . . . 0.0 112.654 -170.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.72 134.49 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.484 0.713 . . . . 0.0 110.398 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.8 m -125.08 144.56 50.35 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.777 0.831 . . . . 0.0 109.722 174.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -126.22 140.45 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 108.524 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -136.67 131.73 34.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.946 -0.471 . . . . 0.0 110.639 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.35 110.43 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.77 -34.19 21.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.53 -171.02 41.99 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 121.965 -0.159 . . . . 0.0 113.307 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 m -120.38 152.84 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.319 0.648 . . . . 0.0 110.933 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -134.11 80.54 1.87 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.889 1.275 . . . . 0.0 108.184 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 -113.84 4.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.061 -1.215 . . . . 0.0 110.061 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.84 -5.74 37.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.978 0.911 . . . . 0.0 112.388 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.14 154.83 26.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.914 0.486 . . . . 0.0 110.129 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -129.53 120.79 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -81.81 114.96 20.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mt -120.25 128.61 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.315 1.446 . . . . 0.0 108.972 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.26 139.64 14.5 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.334 0.969 . . . . 0.0 111.906 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.5 mt -126.82 120.07 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.469 1.108 . . . . 0.0 108.952 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -114.03 102.48 10.22 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.535 0.734 . . . . 0.0 109.703 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.21 155.04 72.62 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.958 0.903 . . . . 0.0 110.395 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.73 153.16 79.11 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.942 2.428 . . . . 0.0 111.24 172.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.75 -0.85 3.23 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.07 -23.26 66.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.302 1.041 . . . . 0.0 111.211 169.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.51 149.58 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.259 1.023 . . . . 0.0 110.712 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 153.11 21.96 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.72 0.408 . . . . 0.0 111.243 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.37 132.1 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.64 154.63 33.28 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.014 0.526 . . . . 0.0 111.517 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -72.2 165.15 24.98 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 166.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -64.17 -30.99 72.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -169.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -47.52 84.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.907 0.883 . . . . 0.0 111.689 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -86.31 -31.53 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.014 0.526 . . . . 0.0 110.521 -172.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -51.66 -37.47 50.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.785 0.834 . . . . 0.0 112.324 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.95 -30.55 67.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.704 0.801 . . . . 0.0 112.572 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -69.2 -37.15 77.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.689 0.796 . . . . 0.0 111.751 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.88 -18.93 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.011 0.524 . . . . 0.0 110.155 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -98.27 2.16 47.94 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.927 0.891 . . . . 0.0 113.164 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.32 4.05 22.03 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.3 31.02 29.09 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 118.92 0.782 . . . . 0.0 112.057 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.03 165.13 2.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.927 1.691 . . . . 0.0 113.456 173.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 31.8 p -73.16 155.09 39.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.529 0.731 . . . . 0.0 112.016 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 46.06 72.5 1.22 Allowed Pre-proline 0 CA--C 1.531 0.213 0 C-N-CA 125.468 1.507 . . . . 0.0 113.341 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.13 175.67 3.75 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.086 2.524 . . . . 0.0 113.24 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.455 -0.199 0 C-N-CA 124.034 0.934 . . . . 0.0 112.698 176.898 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.0 110.34 20.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.55 1.14 . . . . 0.0 109.465 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -103.46 141.04 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.073 1.349 . . . . 0.0 110.072 -176.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt -139.2 165.17 27.88 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 125.037 1.335 . . . . 0.0 111.814 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.06 113.79 24.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.008 0.923 . . . . 0.0 108.778 165.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -117.88 143.81 45.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.114 0.565 . . . . 0.0 109.979 169.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.32 163.5 21.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.27 0.557 . . . . 0.0 110.792 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -52.21 135.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.826 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.51 78.72 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.299 0.952 . . . . 0.0 114.285 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -103.51 174.93 5.65 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.896 1.348 . . . . 0.0 112.237 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -133.16 157.63 44.86 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -140.72 162.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 C-N-CA 126.549 1.94 . . . . 0.0 108.597 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -138.66 147.84 43.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.46 1.104 . . . . 0.0 112.039 -172.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.5 137.23 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.785 1.234 . . . . 0.0 109.118 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.98 51.32 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -124.33 7.95 8.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 111.811 172.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -133.24 -8.88 2.96 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.64 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.875 0.761 . . . . 0.0 110.625 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 73.9 m -132.16 144.86 50.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.323 1.049 . . . . 0.0 110.001 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -123.88 140.25 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.412 1.485 . . . . 0.0 108.303 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -132.75 123.77 26.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.19 108.12 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -78.55 -33.16 48.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.247 0.619 . . . . 0.0 110.527 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.82 -175.95 41.35 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 112.774 -0.13 . . . . 0.0 112.774 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.96 160.27 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.994 0.517 . . . . 0.0 110.649 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -144.0 78.03 1.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.75 0.82 . . . . 0.0 108.91 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 -114.86 3.97 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.42 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 71.6 mt-30 -90.58 -9.42 47.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.537 0.735 . . . . 0.0 110.761 173.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.68 150.85 42.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.652 0.739 . . . . 0.0 111.466 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.48 112.11 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -91.98 111.48 23.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.509 1.124 . . . . 0.0 108.555 -175.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -120.35 123.95 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.637 0.775 . . . . 0.0 110.275 -169.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.21 136.17 13.74 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 65.3 mt -126.51 139.5 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -138.08 100.5 4.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -171.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.05 155.49 80.05 Favored Pre-proline 0 N--CA 1.451 -0.408 0 C-N-CA 124.402 1.081 . . . . 0.0 109.733 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.3 151.34 83.0 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.308 2.005 . . . . 0.0 110.87 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.13 -2.14 7.36 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -22.47 66.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.631 1.172 . . . . 0.0 111.407 168.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.62 159.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.293 1.037 . . . . 0.0 110.789 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.4 157.12 16.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 112.274 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.17 127.02 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 O-C-N 121.682 -0.636 . . . . 0.0 110.615 168.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -151.06 167.48 27.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.989 0.916 . . . . 0.0 111.243 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -65.11 156.28 32.13 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.56 -34.95 74.91 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-N 119.305 0.957 . . . . 0.0 111.565 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -55.73 -34.12 64.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.482 0.713 . . . . 0.0 112.27 173.442 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 38.4 mm -94.73 -38.2 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.061 1.344 . . . . 0.0 110.337 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.58 -43.21 75.76 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.76 0.424 . . . . 0.0 110.103 169.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.25 -22.23 64.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -75.85 -40.1 55.37 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.857 0.863 . . . . 0.0 110.996 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.463 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 77.8 mt -70.35 -30.97 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 1.9 41.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.669 1.188 . . . . 0.0 110.85 173.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.2 3.71 45.38 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.814 1.246 . . . . 0.0 112.77 173.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.93 40.69 0.97 Allowed Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.287 -0.729 . . . . 0.0 114.916 169.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -159.76 179.9 8.43 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.435 1.117 . . . . 0.0 112.48 -169.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 40.2 m -107.14 -68.21 0.9 Allowed 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.504 168.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.99 86.68 1.2 Allowed Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 123.698 0.799 . . . . 0.0 111.11 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -68.81 172.47 11.64 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 122.884 2.389 . . . . 0.0 113.846 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.454 -0.267 0 C-N-CA 124.093 0.957 . . . . 0.0 112.215 175.095 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpt . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 118.523 2.786 . . . . 0.0 118.523 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 137.57 34.68 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.801 2.041 . . . . 0.0 107.093 163.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.53 129.89 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.483 0.713 . . . . 0.0 109.603 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.7 159.14 25.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.269 1.828 . . . . 0.0 110.276 -174.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -143.57 110.33 5.58 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 167.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -133.57 141.06 47.52 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.202 1.001 . . . . 0.0 110.279 -168.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . 0.404 ' HE3' ' OE1' ' F' ' 29' ' ' GLN . 9.5 ptpp? -94.52 167.46 11.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -56.79 136.36 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.225 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.51 -5.51 83.8 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.124 -0.82 . . . . 0.0 114.307 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -89.88 170.52 10.32 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.88 1.34 . . . . 0.0 111.71 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -137.75 162.88 32.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.591 0.71 . . . . 0.0 112.781 -169.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 28.5 mt -151.92 156.68 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.807 2.043 . . . . 0.0 108.285 -168.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -141.18 152.97 45.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 32.6 mt -137.4 137.54 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.908 1.283 . . . . 0.0 108.883 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.46 -137.61 48.8 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.796 -0.521 . . . . 0.0 111.796 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -124.68 10.04 8.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.334 1.054 . . . . 0.0 111.473 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -138.56 -8.0 1.47 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.54 136.21 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.911 0.778 . . . . 0.0 110.726 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.8 m -130.29 143.84 51.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.472 1.109 . . . . 0.0 110.151 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -125.95 138.22 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.275 1.43 . . . . 0.0 108.328 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 78.4 m -135.16 129.47 33.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.05 0.54 . . . . 0.0 109.873 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.1 111.13 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.92 -32.39 51.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.023 0.529 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.05 -171.3 35.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 123.592 0.615 . . . . 0.0 113.399 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 m -123.05 159.68 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 123.873 0.869 . . . . 0.0 112.111 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -147.14 89.84 1.84 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.132 1.373 . . . . 0.0 109.012 169.408 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.19 -113.32 4.85 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -91.4 -20.52 21.71 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.466 0.633 . . . . 0.0 111.786 175.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -71.67 136.3 47.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.552 0.741 . . . . 0.0 109.534 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.63 117.98 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -95.04 107.63 19.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.416 1.486 . . . . 0.0 107.372 -171.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.9 135.98 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.847 0.859 . . . . 0.0 110.959 -167.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.86 142.17 15.81 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.227 0.918 . . . . 0.0 111.689 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -132.4 132.57 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.565 1.546 . . . . 0.0 108.626 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -134.67 101.47 4.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.44 155.25 77.17 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.682 1.193 . . . . 0.0 110.515 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 157.03 45.35 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.87 2.38 . . . . 0.0 112.149 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.11 -0.93 10.73 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.91 -23.32 66.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.453 1.101 . . . . 0.0 111.702 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.01 157.63 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 110.527 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.49 157.93 16.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.871 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 127.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.99 0.516 . . . . 0.0 110.345 169.529 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -150.11 169.38 21.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.63 1.172 . . . . 0.0 109.258 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 27.0 ptt-85 -81.59 165.8 20.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.654 -0.654 . . . . 0.0 110.731 170.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.39 -28.21 69.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -169.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.44 -45.07 89.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.332 1.053 . . . . 0.0 111.94 173.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.58 -34.61 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 123.73 0.812 . . . . 0.0 109.768 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -53.21 -30.96 40.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.305 1.042 . . . . 0.0 112.867 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -59.72 -21.83 61.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.992 1.317 . . . . 0.0 113.089 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.03 -52.58 9.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.367 0.667 . . . . 0.0 111.643 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.49 -63.02 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 127.367 2.267 . . . . 0.0 113.719 -168.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 2.91 19.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.097 0.959 . . . . 0.0 113.206 -170.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.54 -5.71 51.07 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.279 0.632 . . . . 0.0 112.613 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.74 24.38 0.6 Allowed Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.01 0.814 . . . . 0.0 113.267 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -99.52 -141.32 0.32 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.93 0.892 . . . . 0.0 110.052 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p 54.81 6.71 0.13 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 127.551 2.34 . . . . 0.0 114.736 -169.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.9 134.41 10.88 Favored Pre-proline 0 N--CA 1.45 -0.443 0 C-N-CA 125.588 1.555 . . . . 0.0 108.381 169.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -63.78 174.41 3.79 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.557 2.171 . . . . 0.0 113.913 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 124.533 1.133 . . . . 0.0 112.769 177.026 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -96.77 150.38 20.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.775 0.43 . . . . 0.0 111.4 172.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -130.25 137.98 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -131.79 159.94 37.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.526 1.13 . . . . 0.0 110.261 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.79 96.96 5.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.38 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -106.54 131.6 53.52 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.952 1.701 . . . . 0.0 109.428 -174.065 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -98.21 167.77 10.66 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 120.364 1.438 . . . . 0.0 113.072 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -55.99 135.79 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.987 -171.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.64 77.26 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.305 0.955 . . . . 0.0 113.764 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -95.54 174.64 6.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.477 1.138 . . . . 0.0 111.948 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -136.33 159.57 41.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 61.1 mt -137.73 157.48 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.416 1.886 . . . . 0.0 108.536 178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -133.21 148.15 52.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 112.311 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.83 139.56 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.347 1.059 . . . . 0.0 109.062 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.14 -134.73 52.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -128.26 10.08 6.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.135 0.974 . . . . 0.0 112.366 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.32 -15.76 4.06 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -106.85 136.34 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.089 0.859 . . . . 0.0 110.746 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -132.49 141.48 48.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.449 1.1 . . . . 0.0 110.09 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -122.29 143.05 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.404 1.482 . . . . 0.0 108.376 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -136.38 129.8 31.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.244 0.617 . . . . 0.0 110.05 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -85.87 107.52 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.18 -29.23 42.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.801 -0.562 . . . . 0.0 111.418 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.8 35.72 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 123.0 0.334 . . . . 0.0 113.431 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.2 156.28 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 123.279 0.632 . . . . 0.0 111.679 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -150.07 106.72 3.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.379 1.072 . . . . 0.0 108.766 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.5 -117.7 7.92 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -96.31 -13.81 23.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 117.294 0.547 . . . . 0.0 111.51 171.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . 0.404 ' OE1' ' HE3' ' E' ' 7' ' ' LYS . 3.5 mp0 -76.54 144.89 39.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.762 0.792 . . . . 0.0 109.869 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.7 t -131.14 115.65 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -87.08 130.12 34.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.861 0.864 . . . . 0.0 108.943 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -135.22 143.76 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.366 0.666 . . . . 0.0 110.787 -167.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.4 137.16 13.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -125.39 134.85 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.259 1.024 . . . . 0.0 108.77 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -136.58 102.62 4.98 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.023 0.529 . . . . 0.0 110.098 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.47 159.24 73.34 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.102 0.961 . . . . 0.0 111.157 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.81 162.76 27.34 Favored 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 122.855 2.37 . . . . 0.0 112.106 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.43 -7.52 19.95 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.755 0.822 . . . . 0.0 112.783 169.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.9 -22.06 66.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.565 1.546 . . . . 0.0 112.342 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -128.01 161.78 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.046 0.938 . . . . 0.0 111.125 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 163.67 13.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.132 0.573 . . . . 0.0 111.485 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.0 120.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.52 0.728 . . . . 0.0 110.113 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -153.61 173.99 15.05 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.905 0.882 . . . . 0.0 110.441 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 159.68 28.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.63 -20.91 66.49 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -169.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.64 -43.37 84.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.693 0.797 . . . . 0.0 111.717 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mm -86.63 -30.8 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 123.547 0.739 . . . . 0.0 109.638 -174.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -53.63 -34.81 59.81 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.842 0.857 . . . . 0.0 112.814 176.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.75 -21.88 66.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.545 0.738 . . . . 0.0 112.403 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.75 -25.13 28.48 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.329 0.652 . . . . 0.0 111.045 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 4.7 mm -66.34 -55.02 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.617 0.767 . . . . 0.0 109.556 171.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -76.67 3.1 12.34 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.866 0.866 . . . . 0.0 112.514 -170.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.09 -12.14 59.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.493 1.117 . . . . 0.0 113.399 170.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.77 31.27 0.16 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-O 119.673 -0.515 . . . . 0.0 113.92 169.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -156.89 -174.17 4.8 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.985 0.914 . . . . 0.0 111.031 -169.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 6.9 m -126.42 -35.55 2.37 Favored 'General case' 0 N--CA 1.458 -0.066 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 170.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . 0.619 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -151.81 -29.64 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.365 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -169.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . 0.619 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 40.7 Cg_exo -71.39 177.29 6.87 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 CA-C-N 121.195 1.462 . . . . 0.0 113.873 -176.16 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 N--CA 1.453 -0.291 0 C-N-CA 124.599 1.16 . . . . 0.0 112.67 -178.745 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.808 3.608 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 O4'-C1'-N19 111.53 3.33 . 0.365 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 O4'-C1'-N19 112.611 4.411 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 O4'-C1'-N19 111.913 3.713 . 0.126 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 O4'-C1'-N19 111.554 3.354 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-O4' 114.827 4.019 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.207 4.007 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C3'-C2'-C1' 104.062 2.847 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.382 0 O5'-C5'-C4' 113.878 2.627 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C3'-C2'-C1' 104.633 3.481 . 0.045 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.659 3.459 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C3'-C2'-C1' 103.656 2.395 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C5'-C4'-C3' 110.752 -3.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 O4'-C1'-N19 110.555 2.355 . 0.896 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 111.815 3.615 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 N19-C1'-C2' 108.487 -3.071 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 1 O4'-C1'-N19 112.319 4.119 . 0.173 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C5'-C4'-C3' 110.488 -3.341 . 0.279 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 110.633 2.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.8 3.6 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 1 O4'-C1'-N19 112.496 4.296 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 O4'-C1'-N19 110.624 2.424 . 0.087 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 1 O4'-C1'-N19 112.768 4.568 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 O4'-C1'-N19 112.152 3.952 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 N19-C1'-C2' 109.005 -2.747 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 O4'-C1'-N19 111.118 2.918 . 0.475 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.512 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 C5'-C4'-C3' 111.906 -2.396 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C5'-C4'-C3' 112.637 -1.908 . 0.033 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 C5'-C4'-C3' 111.119 -2.921 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.459 HO2' ' P ' ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 C5'-C4'-C3' 109.462 -4.025 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.459 ' P ' HO2' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.179 1 P-O3'-C3' 125.192 4.577 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.063 2.863 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.397 4.197 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 99.153 -3.547 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 99.639 -3.061 . 0.223 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.499 3.299 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 P-O3'-C3' 122.403 2.252 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-C3' 109.955 -3.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.409 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 C3'-C2'-C1' 104.19 2.989 . 0.228 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.409 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.461 4.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 1 C5'-C4'-C3' 109.088 -4.274 . 0.028 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . 0.418 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 C3'-C2'-C1' 106.096 5.106 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . 0.418 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 O4'-C1'-N19 110.858 2.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 1 O4'-C1'-N19 112.273 4.073 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.702 4.502 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 0 O4'-C1'-N19 111.119 2.919 . 0.483 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 1 O4'-C1'-N19 112.317 4.117 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 C4'-C3'-O3' 120.331 3.743 OUTLIER-EPSILON 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.422 HO2' ' P ' ' G' ' 50' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.21 1 P-O3'-C3' 126.943 6.036 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . 0.422 ' P ' HO2' ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 O4'-C1'-N19 111.133 2.933 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C5'-C4'-C3' 111.195 -2.87 . 0.38 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . 0.44 ' C8 ' ' CE ' ' B' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.414 -3.261 3 C5'-C4'-C3' 107.614 -5.257 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.014 1 P-O3'-C3' 126.739 5.866 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 1 O4'-C1'-N19 112.207 4.007 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 C4'-C3'-C2' 100.093 -2.607 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 O4'-C1'-N19 111.184 2.984 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C3'-C2'-C1' 104.969 3.854 . 0.246 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.874 3.674 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 O4'-C1'-N19 111.996 3.796 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.319 3.119 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 O4'-C1'-N19 111.658 3.458 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 O4'-C1'-N19 111.743 3.543 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.476 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C3'-C2'-C1' 103.87 2.633 . 0.237 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.476 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 98.957 -3.743 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 C3'-C2'-C1' 103.979 2.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 0 C5'-C4'-C3' 109.863 -3.758 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 2 C5'-C4'-C3' 105.609 -6.594 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 1 P-O3'-C3' 125.641 4.95 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 O4'-C1'-N19 111.175 2.975 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.703 4.503 . 0.419 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.016 2.816 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.69 2.49 . 0.435 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.73 115.68 30.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.811 . . . . 0.0 110.061 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.64 134.92 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.601 0.76 . . . . 0.0 109.771 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.8 mt -134.99 158.75 43.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.841 1.256 . . . . 0.0 110.034 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.8 m -127.98 119.27 25.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.681 0.792 . . . . 0.0 110.258 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -131.22 138.45 49.37 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.701 0.682 . . . . 0.0 111.459 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.2 159.43 20.11 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 118.791 0.723 . . . . 0.0 110.106 168.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.5 t -41.07 128.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.561 0.745 . . . . 0.0 110.916 169.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.63 -5.0 61.99 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.162 0.887 . . . . 0.0 114.543 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -96.63 167.4 11.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.885 1.342 . . . . 0.0 111.89 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -136.85 147.28 46.43 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 25.5 mm -112.09 154.39 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 125.434 1.494 . . . . 0.0 110.057 169.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -125.48 133.41 52.41 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.365 1.066 . . . . 0.0 110.438 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 mm -121.96 126.51 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.877 1.271 . . . . 0.0 109.413 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.86 -126.9 30.04 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.95 -0.24 5.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.874 0.87 . . . . 0.0 112.176 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -133.68 -17.52 2.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -169.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -110.89 133.83 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.135 0.88 . . . . 0.0 110.453 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -128.14 144.38 51.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.729 0.812 . . . . 0.0 109.713 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.82 139.57 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.864 1.266 . . . . 0.0 108.399 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -135.51 132.15 36.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 110.389 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -80.75 95.6 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.02 -31.48 71.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.97 -170.14 43.0 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 123.153 0.406 . . . . 0.0 112.721 169.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.38 159.27 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.513 0.725 . . . . 0.0 111.666 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -137.97 72.62 1.42 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.726 1.21 . . . . 0.0 109.369 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -118.08 7.82 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -79.77 -2.77 44.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 111.979 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -98.92 154.64 17.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.913 0.863 . . . . 0.0 111.858 170.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.96 117.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.045 1.738 . . . . 0.0 108.264 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -105.32 101.9 11.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 110.542 -170.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.6 mt -107.37 134.42 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.059 1.344 . . . . 0.0 109.655 -171.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.52 137.72 13.75 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -110.06 133.34 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 125.186 1.394 . . . . 0.0 108.251 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -119.55 75.49 1.07 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.736 1.214 . . . . 0.0 109.184 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.46 153.23 44.25 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.321 1.448 . . . . 0.0 110.559 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.79 153.32 58.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.428 2.086 . . . . 0.0 110.515 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -66.85 -6.85 17.9 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -67.72 -25.73 65.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 112.229 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.4 144.02 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.847 0.832 . . . . 0.0 111.88 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.56 143.07 40.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.406 1.082 . . . . 0.0 111.407 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -129.27 121.04 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.513 0.725 . . . . 0.0 109.606 170.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -149.49 169.23 21.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.666 0.786 . . . . 0.0 111.151 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.423 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -104.19 164.38 11.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.401 0.281 . . . . 0.0 111.634 169.124 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -23.98 66.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.6 -23.95 66.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.914 0.886 . . . . 0.0 112.014 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -119.31 -28.94 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.629 1.172 . . . . 0.0 110.833 -169.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.35 -33.1 74.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.385 -0.822 . . . . 0.0 110.441 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -75.05 -15.82 60.61 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.496 0.718 . . . . 0.0 111.657 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -39.22 36.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.024 0.93 . . . . 0.0 110.731 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.714 0.806 . . . . 0.0 109.34 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -84.02 5.03 27.31 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -175.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.94 -21.16 66.35 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 122.243 -0.285 . . . . 0.0 111.405 169.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.41 -4.23 4.06 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.371 0.986 . . . . 0.0 113.237 172.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.5 pp -86.76 90.62 8.35 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 122.694 1.235 . . . . 0.0 111.142 -172.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.9 p -160.64 -32.12 0.05 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.985 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 152.81 23.13 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.967 1.307 . . . . 0.0 112.025 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.85 158.82 55.59 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 123.13 2.553 . . . . 0.0 111.885 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 N--CA 1.451 -0.416 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.488 173.485 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.6 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.416 -0.325 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.77 121.64 45.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.19 138.97 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.639 0.375 . . . . 0.0 111.875 -165.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -135.55 126.61 27.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.37 1.068 . . . . 0.0 110.688 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.435 ' HB ' ' H42' ' G' ' 47' ' ' ' C' . 30.4 m -87.38 102.09 14.19 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.9 167.44 11.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.201 1.401 . . . . 0.0 109.609 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -132.08 162.38 30.95 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.513 0.597 . . . . 0.0 110.954 167.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -62.84 129.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.035 -169.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -5.0 71.21 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 118.985 -0.897 . . . . 0.0 114.763 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.01 169.48 13.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -135.81 157.41 46.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.322 0.649 . . . . 0.0 112.215 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.2 mt -129.0 153.71 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.157 1.783 . . . . 0.0 109.612 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -134.1 135.71 43.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.859 0.864 . . . . 0.0 110.393 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.1 mt -131.61 128.96 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.853 0.861 . . . . 0.0 109.703 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -133.31 52.74 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -172.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -129.23 4.98 5.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.646 0.778 . . . . 0.0 112.866 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -111.29 -19.09 12.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.04 135.68 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 119.067 0.849 . . . . 0.0 111.269 -169.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.41 148.77 52.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.726 1.21 . . . . 0.0 109.569 169.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -128.69 144.89 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.82 1.648 . . . . 0.0 107.87 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -135.5 128.85 32.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.825 0.45 . . . . 0.0 109.979 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -86.19 94.55 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -67.23 -32.6 73.74 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.09 -0.381 . . . . 0.0 111.268 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.95 -179.06 36.66 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-O 120.811 0.117 . . . . 0.0 112.897 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.79 151.94 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.484 0.659 . . . . 0.0 110.732 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -130.06 71.84 1.46 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.468 1.507 . . . . 0.0 107.657 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.88 -119.81 5.16 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -170.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.444 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -101.1 11.76 38.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 122.098 -0.648 . . . . 0.0 111.502 173.877 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.96 153.68 18.65 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.827 1.251 . . . . 0.0 108.959 169.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 t -137.79 119.06 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.043 0.537 . . . . 0.0 109.927 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.88 120.31 30.17 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 125.008 1.323 . . . . 0.0 109.69 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.17 129.61 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.243 1.017 . . . . 0.0 109.671 -170.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.26 15.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 56.7 mt -125.39 130.45 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.841 0.856 . . . . 0.0 109.259 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -130.27 77.68 1.8 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.618 -1.173 . . . . 0.0 109.39 -168.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.99 158.28 66.49 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.726 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' B' ' 39' ' ' ASP . 24.5 Cg_endo -63.38 155.42 62.29 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.919 1.746 . . . . 0.0 110.832 168.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -68.5 -0.59 5.21 Favored 'General case' 0 C--N 1.334 -0.077 0 C-N-CA 124.49 1.116 . . . . 0.0 113.189 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' B' ' 37' ' ' PRO . 1.2 t70 -65.82 -23.08 66.61 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.666 169.287 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.86 144.11 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.713 1.205 . . . . 0.0 109.804 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.487 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -86.52 143.0 27.93 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.297 0.57 . . . . 0.0 111.116 170.533 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.406 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 16.1 t -142.43 96.54 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.73 -166.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.521 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.1 OUTLIER -146.91 161.61 40.38 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.381 0.672 . . . . 0.0 111.735 178.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 11.9 ptt180 -65.07 157.15 29.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.548 0.739 . . . . 0.0 111.395 169.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -56.58 -40.93 76.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.334 0.654 . . . . 0.0 112.396 -173.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -69.11 -4.36 17.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mm -104.02 -50.65 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.019 0.928 . . . . 0.0 109.925 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -50.26 -37.1 34.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.873 1.269 . . . . 0.0 112.107 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -69.86 -22.24 63.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -78.2 -41.5 34.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.034 0.834 . . . . 0.0 110.375 169.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.6 mt -64.9 -38.67 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.334 0.654 . . . . 0.0 109.403 -174.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -80.7 5.0 16.95 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.68 -19.9 37.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.335 0.654 . . . . 0.0 111.779 169.19 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.95 47.64 0.07 OUTLIER Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.49 -0.617 . . . . 0.0 114.446 169.072 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -168.98 -176.57 2.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.818 0.809 . . . . 0.0 112.706 -168.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.6 p -126.9 -177.34 3.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.404 1.481 . . . . 0.0 109.537 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.99 121.48 2.41 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.276 1.031 . . . . 0.0 111.561 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -65.5 171.49 9.34 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.028 1.819 . . . . 0.0 114.621 -169.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.695 -176.314 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.88 110.75 23.15 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.79 133.14 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.458 0.703 . . . . 0.0 109.511 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.68 140.14 52.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.919 0.888 . . . . 0.0 110.181 169.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.2 p -107.16 132.83 52.6 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.713 0.805 . . . . 0.0 111.044 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.13 143.38 29.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.065 0.546 . . . . 0.0 111.276 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -82.8 166.22 19.2 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.857 0.863 . . . . 0.0 109.617 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.81 142.45 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 O-C-N 121.371 -0.831 . . . . 0.0 111.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.03 -2.99 82.42 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.933 1.254 . . . . 0.0 114.695 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.39 -177.76 6.84 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.527 1.664 . . . . 0.0 112.611 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.9 m -141.04 146.68 37.52 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.56 1.144 . . . . 0.0 112.472 -167.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -139.53 145.56 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 125.868 1.667 . . . . 0.0 108.902 -175.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -122.52 142.72 50.29 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.835 0.854 . . . . 0.0 111.667 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -135.04 137.88 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.708 1.203 . . . . 0.0 109.415 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -132.93 49.46 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -170.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -129.63 10.04 5.56 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.696 0.798 . . . . 0.0 111.257 169.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.5 -7.82 5.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.527 1.131 . . . . 0.0 112.733 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.21 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.678 0.791 . . . . 0.0 110.471 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.4 m -129.68 136.43 49.7 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.219 1.008 . . . . 0.0 109.386 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -114.3 136.51 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.109 0.964 . . . . 0.0 108.557 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -121.51 136.8 54.93 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.122 0.969 . . . . 0.0 109.984 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -96.09 118.64 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.1 -38.55 12.69 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.99 -174.77 42.3 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.722 -0.751 . . . . 0.0 114.142 168.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -121.98 146.83 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.384 0.674 . . . . 0.0 111.145 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -143.43 111.16 5.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -142.07 29.72 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.137 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.46 3.52 39.87 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.318 1.047 . . . . 0.0 110.779 168.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.18 139.31 30.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.895 1.678 . . . . 0.0 110.347 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -130.8 113.66 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -170.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.73 111.1 15.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.695 0.679 . . . . 0.0 109.212 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -113.46 132.82 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.433 1.493 . . . . 0.0 109.146 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.51 145.09 16.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.353 0.977 . . . . 0.0 111.722 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.7 mt -128.18 121.04 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.537 1.135 . . . . 0.0 108.716 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -115.71 102.45 9.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.554 0.742 . . . . 0.0 109.619 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 155.26 63.44 Favored Pre-proline 0 N--CA 1.452 -0.371 0 C-N-CA 124.118 0.967 . . . . 0.0 109.846 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.34 154.11 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.766 2.311 . . . . 0.0 111.363 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -66.04 -0.98 2.69 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.96 -22.06 66.46 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.39 0.676 . . . . 0.0 111.439 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -123.11 146.84 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.068 0.947 . . . . 0.0 110.641 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.9 153.77 22.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.776 0.431 . . . . 0.0 110.952 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -136.65 131.73 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.109 0.564 . . . . 0.0 109.967 171.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -156.6 164.63 37.97 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -75.71 157.65 33.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 165.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.32 -32.92 70.51 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.75 -44.27 81.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.767 0.827 . . . . 0.0 111.712 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.26 -29.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.359 0.664 . . . . 0.0 110.793 -171.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -51.52 -36.32 44.26 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.601 0.76 . . . . 0.0 112.363 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.69 -29.67 69.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.503 0.721 . . . . 0.0 112.395 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.95 -38.35 76.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.207 0.603 . . . . 0.0 111.565 174.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.95 -20.7 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 O-C-N 122.106 -0.371 . . . . 0.0 110.041 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -96.03 2.14 53.14 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.612 1.165 . . . . 0.0 113.145 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 4.0 4.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -171.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.01 22.27 3.28 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 124.047 0.832 . . . . 0.0 113.043 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.1 mt -73.72 145.89 44.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 117.644 0.722 . . . . 0.0 111.025 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.8 p -92.21 -7.36 48.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.364 0.666 . . . . 0.0 112.173 170.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.25 130.74 7.77 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.787 1.235 . . . . 0.0 109.765 173.062 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -61.83 -43.05 27.62 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.749 2.299 . . . . 0.0 112.966 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.274 1.03 . . . . 0.0 110.975 -172.81 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.6 tpp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -112.69 112.26 23.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.655 1.582 . . . . 0.0 109.271 170.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.97 139.45 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.028 1.331 . . . . 0.0 109.495 -177.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.19 154.91 34.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.839 0.856 . . . . 0.0 110.96 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -84.33 146.84 27.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.089 -0.382 . . . . 0.0 110.863 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -136.93 133.6 35.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.536 0.735 . . . . 0.0 110.305 173.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -82.53 155.96 24.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.032 0.378 . . . . 0.0 110.545 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 m -50.52 136.99 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.614 170.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.02 -6.82 82.99 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.075 0.845 . . . . 0.0 114.311 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.62 174.48 7.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.875 1.337 . . . . 0.0 111.665 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -134.38 159.23 41.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.606 0.717 . . . . 0.0 112.831 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.6 mt -138.47 158.98 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 127.044 2.138 . . . . 0.0 108.398 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -139.03 147.84 42.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.989 0.915 . . . . 0.0 111.689 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.7 mt -136.5 134.01 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.636 1.174 . . . . 0.0 109.298 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.14 -137.46 50.31 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.78 1.03 11.0 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.708 0.803 . . . . 0.0 112.342 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -129.62 -9.46 4.54 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -171.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.5 134.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.914 0.779 . . . . 0.0 110.747 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -128.39 147.27 50.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.431 1.092 . . . . 0.0 109.91 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -130.32 142.68 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.667 1.587 . . . . 0.0 108.067 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -137.37 128.68 28.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.42 93.71 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.48 -33.74 76.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 110.742 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.58 -178.62 43.79 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 121.3 0.389 . . . . 0.0 113.386 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.0 p -126.36 127.72 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.202 1.401 . . . . 0.0 109.285 -178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -130.17 84.57 2.21 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.532 1.133 . . . . 0.0 109.038 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.73 -113.93 5.06 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -170.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -95.26 -8.25 36.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.825 0.85 . . . . 0.0 110.503 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.8 151.85 37.44 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.736 0.779 . . . . 0.0 112.065 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -128.79 115.6 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 113.632 -1.622 . . . . 0.0 107.223 169.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -94.58 111.56 23.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.911 1.284 . . . . 0.0 108.47 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.98 125.21 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 122.969 0.508 . . . . 0.0 110.83 -168.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.35 135.97 13.42 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.39 137.78 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -137.95 95.4 3.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.46 154.24 80.74 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 124.56 1.144 . . . . 0.0 109.351 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -59.95 149.75 82.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.197 1.931 . . . . 0.0 110.725 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.07 -2.9 6.11 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.98 -22.45 66.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.802 1.241 . . . . 0.0 111.677 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.08 159.78 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.226 1.01 . . . . 0.0 110.669 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.29 157.07 16.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.149 0.579 . . . . 0.0 112.27 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.51 126.79 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 121.756 -0.59 . . . . 0.0 110.29 168.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -149.31 164.38 35.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 110.576 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -75.75 157.16 33.87 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.028 -0.42 . . . . 0.0 110.414 168.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -56.84 -36.41 69.96 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.878 0.871 . . . . 0.0 112.284 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -56.36 -45.96 80.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.495 0.718 . . . . 0.0 111.526 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -78.88 -40.96 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.92 0.888 . . . . 0.0 110.221 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.65 -42.53 24.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.047 0.939 . . . . 0.0 111.948 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.35 -21.38 59.73 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.258 1.023 . . . . 0.0 113.086 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -83.35 -33.48 25.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.9 mp -72.33 -18.75 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.477 1.511 . . . . 0.0 108.608 169.462 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -94.86 -0.1 54.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.5 0.72 . . . . 0.0 112.203 168.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.05 -50.17 3.31 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.999 1.319 . . . . 0.0 112.121 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -176.58 -5.75 0.02 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.194 -0.781 . . . . 0.0 114.209 -173.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 72.69 147.54 0.08 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.773 2.029 . . . . 0.0 113.557 166.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . 0.26 0.4 OUTLIER -138.88 -17.88 1.06 Allowed 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 165.38 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.73 77.12 58.61 Favored Pre-proline 0 N--CA 1.452 -0.334 0 CA-C-N 117.829 0.286 . . . . 0.0 111.633 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.81 -48.12 18.07 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.098 2.532 . . . . 0.0 111.996 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t0 . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 123.74 0.816 . . . . 0.0 111.424 -173.317 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ptm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.62 143.18 32.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.941 1.696 . . . . 0.0 109.346 175.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.5 141.23 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.099 0.96 . . . . 0.0 110.119 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -136.62 164.26 28.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.89 1.676 . . . . 0.0 110.779 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -137.95 97.19 3.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.54 144.67 40.4 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.853 1.261 . . . . 0.0 111.805 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -84.31 161.23 20.52 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.748 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.17 139.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.77 0.319 . . . . 0.0 111.275 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -4.09 86.47 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 119.293 -0.726 . . . . 0.0 114.089 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -88.13 174.34 8.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.757 1.279 . . . . 0.0 111.908 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -139.1 157.18 46.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.521 0.677 . . . . 0.0 112.24 -173.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -140.57 158.05 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 126.73 2.012 . . . . 0.0 107.619 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.97 152.05 49.71 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.452 -0.78 . . . . 0.0 113.035 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -137.24 137.94 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.951 1.3 . . . . 0.0 109.048 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.27 -136.56 49.51 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -125.18 10.0 8.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.298 1.039 . . . . 0.0 111.483 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.32 -8.35 1.31 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -117.68 135.25 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.061 0.846 . . . . 0.0 110.762 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.7 m -127.89 143.7 51.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.584 1.154 . . . . 0.0 110.136 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -122.39 138.5 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.365 1.466 . . . . 0.0 108.25 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -133.72 126.78 31.44 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.034 0.534 . . . . 0.0 109.935 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.22 107.88 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.05 -30.48 62.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.756 0.422 . . . . 0.0 110.429 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.23 -174.34 31.2 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.545 0.593 . . . . 0.0 113.085 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 m -112.72 159.82 12.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.522 0.729 . . . . 0.0 111.927 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -146.89 89.92 1.86 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.075 1.35 . . . . 0.0 109.072 170.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.89 -111.32 4.04 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -94.5 -19.15 20.8 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.386 0.593 . . . . 0.0 111.551 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.46 146.74 50.1 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.273 0.558 . . . . 0.0 110.395 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -135.76 113.69 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -88.12 124.03 33.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.1 129.99 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.441 0.696 . . . . 0.0 110.587 -168.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.18 139.43 14.68 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 124.183 0.897 . . . . 0.0 111.255 170.157 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -131.74 127.64 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.864 1.266 . . . . 0.0 108.785 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.17 98.99 4.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 155.06 78.61 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.647 1.179 . . . . 0.0 110.701 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.44 157.95 43.41 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 122.949 2.433 . . . . 0.0 112.007 171.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -72.15 -1.0 13.37 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.435 0.694 . . . . 0.0 112.592 173.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.59 -23.0 66.13 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.665 1.186 . . . . 0.0 111.857 169.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.39 160.99 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.966 0.907 . . . . 0.0 110.838 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.01 156.11 16.45 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.234 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.03 125.69 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.024 0.53 . . . . 0.0 110.2 168.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -150.5 166.69 29.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.2 1.0 . . . . 0.0 110.165 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -79.14 162.17 25.98 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.786 -0.571 . . . . 0.0 109.959 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.15 -21.88 62.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.94 -48.84 70.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.011 0.924 . . . . 0.0 111.638 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.0 -32.42 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.384 0.673 . . . . 0.0 109.85 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -53.54 -37.82 63.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.415 0.686 . . . . 0.0 112.189 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -66.89 -22.08 65.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -74.07 -23.0 59.3 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.537 0.735 . . . . 0.0 111.31 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.29 -40.48 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -82.63 2.0 35.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 112.333 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.87 -13.27 10.01 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.083 1.353 . . . . 0.0 113.793 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.25 44.09 0.24 Allowed Glycine 0 CA--C 1.524 0.63 0 C-N-CA 124.09 0.852 . . . . 0.0 112.075 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.44 -53.01 0.16 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.385 0.674 . . . . 0.0 112.248 -176.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m 42.99 37.87 1.26 Allowed 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 125.414 1.486 . . . . 0.0 112.98 -170.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.33 126.95 2.72 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 124.316 1.046 . . . . 0.0 109.896 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.21 148.68 48.66 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.896 2.397 . . . . 0.0 112.025 169.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 CA--C 1.53 0.205 0 C-N-CA 124.696 1.199 . . . . 0.0 114.182 169.812 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -96.78 148.96 22.37 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.808 0.443 . . . . 0.0 111.26 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.31 124.95 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.87 155.68 28.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.693 1.597 . . . . 0.0 109.644 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.81 108.41 11.45 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 168.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 125.85 48.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.69 1.196 . . . . 0.0 110.197 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.74 165.78 12.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.571 1.078 . . . . 0.0 112.571 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.48 134.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.434 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.08 -3.33 76.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.312 0.958 . . . . 0.0 114.161 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -97.91 171.74 8.09 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.485 1.143 . . . . 0.0 111.542 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -133.37 156.85 46.91 Favored 'General case' 0 C--N 1.338 0.109 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -168.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -136.97 156.43 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.758 2.023 . . . . 0.0 108.158 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -131.97 149.11 52.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.439 -0.788 . . . . 0.0 112.293 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -136.29 141.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.51 1.124 . . . . 0.0 109.034 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.83 47.26 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -173.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -121.7 10.08 10.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.075 0.95 . . . . 0.0 112.485 173.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -132.98 -22.58 2.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.7 137.84 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.258 0.935 . . . . 0.0 110.958 -170.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -126.13 141.72 51.82 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.155 0.982 . . . . 0.0 110.28 174.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.13 138.6 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.487 1.515 . . . . 0.0 108.328 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.79 128.32 32.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.124 0.57 . . . . 0.0 109.886 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.08 107.7 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.49 -28.99 37.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.311 0.644 . . . . 0.0 111.078 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.68 -172.26 35.52 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 123.289 0.471 . . . . 0.0 112.931 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.86 149.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.242 0.617 . . . . 0.0 111.346 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -138.59 89.93 2.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.87 1.268 . . . . 0.0 108.686 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.49 -125.8 34.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 -171.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.13 -17.87 54.26 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.96 143.59 37.49 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.42 0.629 . . . . 0.0 110.265 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.63 120.98 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 ttm105 -90.77 124.16 34.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.935 0.894 . . . . 0.0 108.93 -173.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.26 139.59 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.448 0.699 . . . . 0.0 110.333 -167.663 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.72 140.59 16.44 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.138 0.875 . . . . 0.0 111.013 173.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.76 135.36 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.107 0.963 . . . . 0.0 109.552 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -129.01 104.35 7.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.028 0.931 . . . . 0.0 109.286 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.38 158.77 63.02 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 111.342 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.43 161.88 36.18 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.845 2.363 . . . . 0.0 111.882 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -62.69 -18.13 61.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.845 0.858 . . . . 0.0 112.498 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.58 -18.25 64.93 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.144 1.378 . . . . 0.0 113.094 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -128.77 161.3 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.549 0.739 . . . . 0.0 111.244 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.33 163.76 13.12 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.255 0.622 . . . . 0.0 111.783 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.04 125.04 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.496 0.719 . . . . 0.0 110.243 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.06 178.41 9.48 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.186 0.995 . . . . 0.0 110.764 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -71.77 160.95 31.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 169.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.37 -26.53 68.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.452 0.301 . . . . 0.0 111.73 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.31 -43.76 98.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.826 0.85 . . . . 0.0 111.637 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -84.7 -31.28 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.55 0.74 . . . . 0.0 109.636 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -52.91 -34.51 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.917 177.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.59 -23.99 66.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.204 0.602 . . . . 0.0 112.327 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.19 -24.14 32.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.321 0.648 . . . . 0.0 111.023 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mm -68.01 -56.64 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.79 0.836 . . . . 0.0 109.241 169.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -77.68 3.09 14.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.745 0.818 . . . . 0.0 112.497 -170.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.2 -24.54 64.89 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.113 0.965 . . . . 0.0 112.816 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.69 31.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.525 -0.597 . . . . 0.0 114.002 169.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -158.84 -173.44 4.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 117.938 0.869 . . . . 0.0 111.595 -168.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -140.9 141.81 34.53 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.716 0.806 . . . . 0.0 109.226 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 51.04 81.29 0.26 Allowed Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 125.255 1.422 . . . . 0.0 113.24 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.53 -43.61 32.71 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 124.344 3.363 . . . . 0.0 114.104 174.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t0 . . . . . 0 N--CA 1.452 -0.36 0 C-N-CA 123.782 0.833 . . . . 0.0 110.033 -169.244 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 112.093 3.893 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O4'-C1'-N19 111.442 3.242 . 0.351 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 1 O4'-C1'-N19 112.926 4.726 . 0.432 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 1 O4'-C1'-N19 112.277 4.077 . 0.131 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 C3'-C2'-C1' 104.302 3.113 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 C5'-C4'-C3' 108.89 -4.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 1 O4'-C1'-N19 112.496 4.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 C5'-C4'-C3' 110.895 -3.07 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 0 P-O3'-C3' 122.001 1.918 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 1 C3'-C2'-C1' 105.139 4.043 . 0.11 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 O4'-C1'-N19 111.771 3.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.558 -2.628 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 C5'-C4'-C3' 108.405 -4.73 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 110.472 2.272 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 111.646 3.446 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.484 3.284 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C5'-C4'-C3' 109.638 -3.908 . 0.779 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C5'-C4'-C3' 110.862 -3.092 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 110.826 2.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.85 3.65 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.32 1 O4'-C1'-N19 112.275 4.075 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.828 -2.872 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 1 O4'-C1'-N19 112.632 4.432 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 112.039 3.839 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 N19-C1'-C2' 108.714 -2.929 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 0 O4'-C1'-N19 111.783 3.583 . 0.569 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.521 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.412 -3.398 0 C5'-C4'-C3' 112.702 -1.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.406 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.412 -3.421 0 C5'-C4'-C3' 112.352 -2.099 . 0.06 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 111.146 -2.903 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 O4'-C1'-N19 111.35 3.15 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C4'-C3'-C2' 100.411 -2.289 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 111.365 3.165 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.437 4.237 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.769 3.569 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 C4'-C3'-C2' 99.659 -3.041 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 O4'-C1'-N19 111.545 3.345 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 P-O3'-C3' 122.513 2.344 . 0.016 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.676 3.476 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.4 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C3'-C2'-C1' 104.276 3.085 . 0.308 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.4 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 113.558 5.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 0 C5'-C4'-C3' 109.706 -3.863 . 0.062 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . 0.414 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.37 2 O4'-C1'-N19 114.298 6.098 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . 0.414 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.208 1 O4'-C1'-N19 113.954 5.754 . 0.01 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.61 4.41 . 0.161 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 112.638 4.438 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 111.389 3.189 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . 0.435 ' H42' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.417 -2.983 0 O4'-C1'-N19 112.19 3.99 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.476 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C3'-C2'-C1' 104.53 3.367 . 0.345 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.476 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C4'-C3'-C2' 99.61 -3.09 . 0.011 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 O4'-C1'-N19 111.298 3.098 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.387 0 C5'-C4'-C3' 110.983 -3.012 . 0.442 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.398 1 O5'-C5'-C4' 116.883 4.774 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 C5'-C4'-C3' 112.413 -2.058 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 112.381 4.181 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 C4'-C3'-C2' 100.279 -2.421 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.013 2.813 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 110.823 -3.118 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 112.049 3.849 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 112.147 3.947 . 0.112 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 0 O4'-C1'-N19 111.683 3.483 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 O4'-C1'-N19 112.041 3.841 . 0.379 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.716 3.516 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.403 HO2' ' P ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.358 1 C3'-C2'-C1' 105.583 4.537 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.403 ' P ' HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 P-O3'-C3' 122.604 2.42 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.032 2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 0 C5'-C4'-C3' 110.846 -3.102 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 C3'-C2'-C1' 97.536 -4.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 C4'-C3'-C2' 99.733 -2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 110.847 2.647 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 O4'-C1'-N19 112.423 4.223 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 C4'-C3'-C2' 99.733 -2.967 . 0.362 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 O4'-C1'-N19 111.472 3.272 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.1 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.113 -0.47 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.61 114.26 25.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.669 0.788 . . . . 0.0 109.686 -176.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.11 134.9 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.582 0.753 . . . . 0.0 109.282 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -131.68 162.22 30.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.239 1.016 . . . . 0.0 109.691 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -122.75 118.48 28.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.2 133.04 50.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.246 0.618 . . . . 0.0 111.366 -167.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 153.3 18.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.168 0.44 . . . . 0.0 110.723 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 54.8 t -44.71 125.23 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.321 0.649 . . . . 0.0 110.647 179.07 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 -16.56 60.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.208 0.909 . . . . 0.0 114.295 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -85.39 171.99 11.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.095 1.448 . . . . 0.0 112.053 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -142.0 160.21 40.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -169.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.0 mm -127.84 157.38 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.971 2.108 . . . . 0.0 108.454 177.447 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -129.78 141.25 50.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.803 1.241 . . . . 0.0 110.523 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt -134.94 134.86 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.294 1.038 . . . . 0.0 109.227 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.4 -131.55 35.28 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -125.2 -1.45 7.67 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.004 0.922 . . . . 0.0 112.334 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.47 -15.79 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.55 137.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 118.706 0.685 . . . . 0.0 110.622 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -134.98 141.91 46.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.113 0.965 . . . . 0.0 109.686 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -123.62 139.53 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.676 1.19 . . . . 0.0 108.572 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 m -135.62 135.43 40.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.446 0.699 . . . . 0.0 109.858 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -85.37 98.68 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -26.5 63.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.922 -0.486 . . . . 0.0 110.12 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.46 -173.86 41.91 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 118.233 0.469 . . . . 0.0 114.008 168.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.02 154.14 39.69 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 C-N-CA 123.765 0.826 . . . . 0.0 111.919 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 m -141.51 63.09 1.44 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.823 1.249 . . . . 0.0 109.986 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.4 -127.67 8.49 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -169.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -79.63 -11.73 59.85 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -98.74 129.43 45.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.914 1.34 . . . . 0.0 110.473 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.35 121.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.329 -167.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -90.8 101.89 14.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mt -107.56 131.21 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.653 1.181 . . . . 0.0 109.311 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.18 135.23 12.21 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.85 135.25 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.062 1.345 . . . . 0.0 108.103 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -125.41 75.04 1.43 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.336 1.054 . . . . 0.0 109.049 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.57 154.92 42.12 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.101 1.36 . . . . 0.0 111.009 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.46 153.57 55.34 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.532 2.154 . . . . 0.0 110.443 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -69.04 -3.51 13.4 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -69.55 -24.92 63.78 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.891 0.876 . . . . 0.0 111.942 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.08 144.05 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.795 0.807 . . . . 0.0 111.711 173.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 143.0 29.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.122 0.969 . . . . 0.0 110.713 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -131.8 125.26 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.707 0.403 . . . . 0.0 110.389 174.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -153.21 156.8 39.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.679 0.792 . . . . 0.0 110.228 -173.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -84.71 164.2 18.72 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 170.339 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.499 1.12 . . . . 0.0 111.667 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.14 -12.49 40.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 112.648 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.85 -26.37 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.45 1.1 . . . . 0.0 111.536 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.7 -32.28 73.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.921 0.782 . . . . 0.0 110.976 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -75.09 -14.57 60.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.085 0.554 . . . . 0.0 112.209 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.54 -30.84 52.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.739 0.816 . . . . 0.0 111.001 169.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -71.23 -54.29 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.884 0.874 . . . . 0.0 109.393 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -76.81 5.12 8.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.719 0.807 . . . . 0.0 111.586 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.98 -20.82 66.17 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.395 0.678 . . . . 0.0 112.419 169.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.57 15.91 1.21 Allowed Glycine 0 C--N 1.339 0.718 0 C-N-CA 123.712 0.673 . . . . 0.0 113.43 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -125.25 175.43 7.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.753 1.221 . . . . 0.0 111.16 -177.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.2 p -137.21 -14.57 1.52 Allowed 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.32 0.648 . . . . 0.0 112.715 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.05 163.4 21.52 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 124.693 1.197 . . . . 0.0 110.813 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.36 -25.28 56.25 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.501 2.801 . . . . 0.0 113.746 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 122.889 0.476 . . . . 0.0 111.115 -169.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.428 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 32.7 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.844 -0.122 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.33 122.25 43.36 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.344 1.457 . . . . 0.0 107.62 169.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -119.69 139.43 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -164.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -143.05 141.28 31.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.795 1.238 . . . . 0.0 111.84 -171.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -91.2 127.45 36.63 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 166.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -127.07 114.94 18.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 110.165 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -82.67 149.18 27.5 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.14 131.52 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 121.131 0.491 . . . . 0.0 111.153 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.01 -8.93 65.47 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.143 -0.809 . . . . 0.0 114.807 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -85.22 168.25 14.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 1.402 . . . . 0.0 111.733 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -132.65 155.75 48.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.759 0.824 . . . . 0.0 112.434 -169.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 33.3 mt -137.02 156.77 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.72 1.608 . . . . 0.0 109.786 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -135.3 141.99 45.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.107 0.963 . . . . 0.0 111.204 -173.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 80.0 mt -134.56 127.58 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.279 1.032 . . . . 0.0 109.441 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.75 -134.24 52.42 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -174.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.92 5.01 5.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.703 0.801 . . . . 0.0 112.759 173.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -112.1 -19.72 12.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.46 136.94 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 118.967 0.803 . . . . 0.0 111.425 -169.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.5 m -131.03 148.56 52.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.956 1.302 . . . . 0.0 109.674 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -130.07 145.2 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.739 1.616 . . . . 0.0 108.393 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -137.54 133.11 34.14 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.994 0.517 . . . . 0.0 110.217 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.67 93.92 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.48 -32.62 74.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.033 -0.417 . . . . 0.0 110.997 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.1 -174.32 36.85 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 169.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -111.14 147.62 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.409 0.623 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -122.81 71.95 1.06 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.559 1.543 . . . . 0.0 108.013 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.36 -122.27 5.76 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.477 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -96.82 10.44 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.066 -0.667 . . . . 0.0 111.484 172.632 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.44 158.41 15.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.346 167.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 t -140.26 117.86 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.085 0.554 . . . . 0.0 109.775 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -87.37 121.27 29.59 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.123 0.969 . . . . 0.0 109.656 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.13 131.43 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.162 0.985 . . . . 0.0 109.8 -169.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 139.71 14.64 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -125.22 130.67 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.836 0.855 . . . . 0.0 109.103 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -131.16 80.24 1.93 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.473 -168.327 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.0 157.39 72.15 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.85 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.52 157.22 37.63 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 122.119 1.879 . . . . 0.0 111.602 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -71.11 -0.93 10.72 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.837 0.855 . . . . 0.0 112.308 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.89 -23.65 66.68 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.34 1.456 . . . . 0.0 111.887 169.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -114.26 144.13 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.331 1.052 . . . . 0.0 110.274 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.541 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -86.99 142.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.269 0.556 . . . . 0.0 111.711 171.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.74 97.42 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.673 -166.246 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.541 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.4 OUTLIER -147.43 166.3 27.62 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 124.252 1.021 . . . . 0.0 111.944 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 36.0 ptt-85 -71.73 163.57 27.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 122.877 0.471 . . . . 0.0 111.508 169.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.38 -46.52 62.82 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.475 0.71 . . . . 0.0 112.359 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.26 -44.15 33.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.43 0.692 . . . . 0.0 110.905 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mm -81.21 -48.67 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.962 1.305 . . . . 0.0 110.177 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.83 -39.03 37.37 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.753 1.221 . . . . 0.0 111.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -28.23 68.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.149 0.98 . . . . 0.0 112.994 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -77.45 -43.96 30.59 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 118.976 0.807 . . . . 0.0 109.94 172.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.77 -37.3 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.211 0.605 . . . . 0.0 109.47 -172.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -81.28 1.33 32.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.21 -13.53 58.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.654 0.782 . . . . 0.0 112.273 170.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.45 47.81 0.17 Allowed Glycine 0 CA--C 1.525 0.704 0 CA-C-O 119.719 -0.49 . . . . 0.0 113.774 169.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.46 -177.52 3.2 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 117.471 0.635 . . . . 0.0 112.337 -168.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 54.0 p -129.68 -174.45 3.3 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.177 1.391 . . . . 0.0 109.425 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.58 120.13 2.53 Favored Pre-proline 0 N--CA 1.454 -0.254 0 C-N-CA 123.846 0.858 . . . . 0.0 110.987 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 -47.0 29.45 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.483 2.789 . . . . 0.0 113.362 -169.515 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 124.145 0.978 . . . . 0.0 109.889 -171.88 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.88 107.23 18.08 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.53 132.48 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.318 0.647 . . . . 0.0 109.287 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.65 135.73 51.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.895 0.878 . . . . 0.0 109.836 169.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -97.98 145.32 26.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.127 0.571 . . . . 0.0 110.919 170.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.16 156.8 43.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.206 1.002 . . . . 0.0 110.756 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.484 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.0 tptm -97.32 158.58 15.39 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 124.691 1.196 . . . . 0.0 109.625 170.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.38 139.06 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.945 0.793 . . . . 0.0 111.691 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.85 -3.86 85.86 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.614 1.102 . . . . 0.0 114.726 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -85.61 -177.17 6.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.493 1.646 . . . . 0.0 113.027 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 54.9 m -141.25 147.68 38.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.511 1.124 . . . . 0.0 113.11 -165.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -139.22 151.31 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.06 2.144 . . . . 0.0 107.755 -174.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -134.3 144.7 48.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.835 0.854 . . . . 0.0 111.258 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.06 132.25 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.414 1.086 . . . . 0.0 109.055 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.91 -134.48 49.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.27 7.59 5.44 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.743 0.817 . . . . 0.0 111.856 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -115.13 -13.82 11.79 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 124.155 0.982 . . . . 0.0 113.014 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.95 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.726 0.694 . . . . 0.0 110.747 -173.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -130.55 140.75 50.47 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.48 1.112 . . . . 0.0 109.501 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -124.7 136.79 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.06 1.344 . . . . 0.0 108.227 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -128.29 138.08 52.25 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.708 -0.62 . . . . 0.0 110.337 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -91.16 114.14 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 168.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -87.95 -35.02 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.92 -173.39 39.13 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.708 -0.282 . . . . 0.0 113.062 167.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.43 162.49 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 121.565 0.697 . . . . 0.0 111.937 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.5 m -142.61 70.1 1.32 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.303 1.841 . . . . 0.0 108.034 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.59 -109.77 3.07 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 -168.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.3 -6.72 37.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.404 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -94.5 160.09 14.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.893 0.854 . . . . 0.0 112.313 172.437 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.08 108.9 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.594 1.558 . . . . 0.0 107.049 -168.472 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -75.25 110.16 9.36 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -107.09 130.81 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.29 1.436 . . . . 0.0 109.881 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.99 141.48 15.72 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 110.721 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.96 125.03 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -129.67 96.17 4.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -169.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.59 154.57 66.55 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 124.327 1.051 . . . . 0.0 110.032 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 152.89 77.49 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.656 2.237 . . . . 0.0 111.194 172.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.88 -1.01 3.45 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.313 0.645 . . . . 0.0 112.466 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.84 -22.83 66.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.346 1.058 . . . . 0.0 111.228 168.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -124.78 151.41 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.342 1.057 . . . . 0.0 110.698 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 155.67 19.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.735 0.414 . . . . 0.0 111.51 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 m -139.0 132.16 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 123.152 0.581 . . . . 0.0 109.707 170.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -157.3 166.4 33.23 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.103 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 84.9 mtm-85 -69.51 153.57 43.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 165.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.96 -32.5 72.03 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.241 -0.287 . . . . 0.0 111.69 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.02 -45.56 83.01 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.147 0.979 . . . . 0.0 111.886 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.39 -32.94 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.365 0.666 . . . . 0.0 110.839 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -50.86 -40.03 55.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.269 1.028 . . . . 0.0 112.098 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -60.24 -28.54 68.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.389 0.676 . . . . 0.0 112.298 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -71.98 -41.29 67.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.306 0.642 . . . . 0.0 111.754 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -65.28 -21.24 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -98.41 2.13 47.53 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.945 1.298 . . . . 0.0 113.458 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.37 4.04 1.96 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -172.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.48 46.0 1.6 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 123.984 0.802 . . . . 0.0 111.632 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 66.3 mt -84.84 1.76 45.5 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.626 0.771 . . . . 0.0 112.301 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 p -76.25 127.4 32.82 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.885 0.874 . . . . 0.0 110.949 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 44.09 69.8 2.24 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 125.115 1.366 . . . . 0.0 112.854 -174.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.35 147.57 45.85 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.461 2.774 . . . . 0.0 113.057 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 CA--C 1.529 0.137 0 C-N-CA 126.325 1.85 . . . . 0.0 115.42 169.549 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 69.2 mmm . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -134.97 110.62 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.278 1.831 . . . . 0.0 106.524 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.82 138.21 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.571 1.148 . . . . 0.0 109.516 -169.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.04 156.9 30.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.215 0.606 . . . . 0.0 111.654 175.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 70.6 p -91.77 148.3 22.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.158 0.504 . . . . 0.0 111.66 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -132.69 135.75 45.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.117 0.967 . . . . 0.0 108.634 167.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . 0.404 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 63.0 mttt -84.19 158.56 21.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.476 168.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 m -54.58 124.19 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 111.415 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.56 -3.23 53.52 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.167 0.889 . . . . 0.0 114.024 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -95.24 170.71 9.2 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.503 1.152 . . . . 0.0 112.04 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -134.32 161.56 34.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 45.2 mm -136.68 151.49 27.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 128.088 2.555 . . . . 0.0 108.301 -176.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -119.54 149.48 41.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.889 0.876 . . . . 0.0 111.83 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.7 mt -134.02 134.16 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.93 1.292 . . . . 0.0 109.338 173.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.72 -129.94 42.39 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -130.05 4.23 4.86 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.99 0.916 . . . . 0.0 111.715 172.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -132.26 -8.97 3.36 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.77 133.05 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.76 0.709 . . . . 0.0 110.34 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -129.37 144.56 51.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.842 0.857 . . . . 0.0 109.91 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -126.14 144.56 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.954 1.302 . . . . 0.0 108.336 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -137.03 129.57 30.11 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.483 0.713 . . . . 0.0 109.468 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -86.83 109.95 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 mt -80.92 -36.12 31.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.349 0.66 . . . . 0.0 111.007 -168.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 -178.16 45.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 170.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.01 157.71 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.323 0.649 . . . . 0.0 109.869 168.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -141.61 76.95 1.57 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.86 -116.4 4.27 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -172.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.484 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -92.77 -4.2 53.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.207 0.603 . . . . 0.0 110.333 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -75.71 152.6 37.45 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 112.015 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 22.3 t -130.18 121.03 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 C-N-CA 125.585 1.554 . . . . 0.0 106.897 169.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -96.54 118.96 34.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.453 1.101 . . . . 0.0 108.151 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.37 130.13 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.455 0.302 . . . . 0.0 110.574 -168.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.95 141.59 15.78 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 124.399 0.999 . . . . 0.0 111.287 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.5 141.05 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -138.11 98.59 3.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.462 0.705 . . . . 0.0 109.221 -174.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.86 155.42 80.3 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.483 1.113 . . . . 0.0 109.397 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -62.19 150.59 86.25 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.186 1.924 . . . . 0.0 110.598 169.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -69.26 -1.22 7.5 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 121.796 -0.565 . . . . 0.0 112.437 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.53 -22.39 66.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.709 1.204 . . . . 0.0 111.385 168.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.87 159.95 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.351 1.06 . . . . 0.0 110.711 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.65 157.04 16.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.08 127.23 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 O-C-N 121.915 -0.491 . . . . 0.0 110.019 168.308 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -149.85 167.5 26.4 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.662 0.785 . . . . 0.0 111.206 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.52 154.81 30.14 Favored 'General case' 0 C--O 1.227 -0.128 0 C-N-CA 123.156 0.582 . . . . 0.0 110.232 168.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.59 -34.66 73.01 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.082 0.953 . . . . 0.0 112.921 -169.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.8 -27.77 67.84 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.06 -38.25 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 170.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.99 -35.31 66.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.09 0.556 . . . . 0.0 112.464 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.49 -20.99 65.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.461 0.704 . . . . 0.0 112.768 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -85.91 -30.25 22.99 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.113 1.365 . . . . 0.0 111.248 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 0.3 OUTLIER -69.42 -18.73 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.603 1.161 . . . . 0.0 108.808 171.702 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -103.37 -0.4 30.16 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.156 1.782 . . . . 0.0 111.871 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 -49.42 2.98 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 125.202 1.401 . . . . 0.0 112.957 178.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.07 -3.0 0.13 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.305 0.955 . . . . 0.0 114.531 -169.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 29.65 81.83 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 128.862 2.865 . . . . 0.0 114.193 168.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 56' ' ' THR . . . . . 0.422 HG22 ' H41' ' G' ' 7' ' ' ' C' . 25.9 p -92.37 -6.31 50.37 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -169.805 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.21 73.99 80.82 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 123.225 0.61 . . . . 0.0 111.211 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -52.18 -39.21 71.86 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.749 2.966 . . . . 0.0 112.577 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t0 . . . . . 0 N--CA 1.451 -0.391 0 C-N-CA 124.283 1.033 . . . . 0.0 109.845 -169.864 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 tt -119.81 116.03 25.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.897 0.879 . . . . 0.0 109.845 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -107.76 138.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.177 0.991 . . . . 0.0 109.989 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.59 165.04 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.831 1.652 . . . . 0.0 110.611 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -133.72 99.79 4.58 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 168.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 5.4 mmp_? -108.48 144.96 35.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.867 1.267 . . . . 0.0 111.528 -172.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -90.04 164.64 14.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.46 140.23 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-O 120.883 0.373 . . . . 0.0 111.515 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.47 -3.54 86.39 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.794 0.711 . . . . 0.0 114.202 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.07 168.1 18.12 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 118.563 1.182 . . . . 0.0 111.464 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -136.33 151.52 49.68 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.394 0.678 . . . . 0.0 112.065 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 43.3 mm -134.51 153.85 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 126.622 1.969 . . . . 0.0 108.264 -177.076 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -133.25 151.61 51.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.197 -0.939 . . . . 0.0 112.907 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -137.53 140.42 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.761 1.224 . . . . 0.0 108.962 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -137.7 49.88 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.51 10.08 8.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.208 1.003 . . . . 0.0 111.544 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.16 -5.98 1.09 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -170.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.14 134.44 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 119.043 0.838 . . . . 0.0 110.699 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -127.47 145.35 50.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.469 1.108 . . . . 0.0 110.34 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -125.39 139.58 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.779 1.632 . . . . 0.0 108.125 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -135.99 130.51 33.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -82.01 107.48 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.15 -31.74 64.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.571 0.348 . . . . 0.0 110.274 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.94 -173.71 33.25 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.359 0.504 . . . . 0.0 113.362 169.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.6 159.5 15.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 C-N-CA 123.528 0.731 . . . . 0.0 112.11 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.0 t -149.97 89.91 1.64 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.685 1.194 . . . . 0.0 109.383 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.25 -111.86 3.89 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 121.492 -0.755 . . . . 0.0 111.872 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -91.55 -21.77 20.69 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 117.693 0.746 . . . . 0.0 111.556 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -74.15 144.25 44.94 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.721 0.809 . . . . 0.0 109.688 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.68 113.15 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -85.96 122.87 30.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -130.3 131.3 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.71 0.804 . . . . 0.0 110.47 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.25 143.84 16.98 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.233 0.921 . . . . 0.0 111.761 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -134.42 131.98 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.328 1.451 . . . . 0.0 108.655 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -133.17 100.71 4.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -172.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.18 155.4 75.96 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.8 1.24 . . . . 0.0 110.588 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.05 158.4 43.86 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.009 2.473 . . . . 0.0 111.996 171.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -73.02 -0.99 15.44 Favored 'General case' 0 N--CA 1.458 -0.053 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.05 -21.36 66.38 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.397 1.079 . . . . 0.0 111.424 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -124.87 159.35 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.297 1.039 . . . . 0.0 110.736 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.55 16.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.125 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.01 127.95 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.406 0.682 . . . . 0.0 110.123 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -150.15 170.88 17.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.831 0.852 . . . . 0.0 110.815 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -71.3 160.58 32.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.3 -32.05 70.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.232 -0.292 . . . . 0.0 111.515 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.95 -44.41 78.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.586 1.155 . . . . 0.0 111.939 173.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -87.83 -33.7 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.039 0.936 . . . . 0.0 110.279 -170.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.84 -34.7 28.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.949 1.3 . . . . 0.0 112.839 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.06 -21.97 59.99 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.329 1.051 . . . . 0.0 112.669 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -73.33 -47.36 43.08 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.355 0.662 . . . . 0.0 109.527 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.59 -22.97 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.326 1.45 . . . . 0.0 110.373 -178.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -85.28 -40.0 17.09 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 169.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.28 -29.62 10.18 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -167.064 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.64 -23.3 0.99 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.921 0.772 . . . . 0.0 112.94 -169.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.59 164.21 0.19 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 128.414 2.686 . . . . 0.0 113.809 169.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 48.6 p -102.81 -3.28 26.57 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.635 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.59 135.4 26.84 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.393 1.077 . . . . 0.0 109.908 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -63.87 177.42 1.86 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.087 2.525 . . . . 0.0 113.868 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 N--CA 1.454 -0.255 0 C-N-CA 124.626 1.171 . . . . 0.0 113.04 -177.382 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.43 149.64 21.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.798 0.439 . . . . 0.0 111.435 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.57 136.08 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.23 163.07 27.53 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.726 1.21 . . . . 0.0 109.624 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.37 97.72 5.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.195 0.522 . . . . 0.0 109.844 169.12 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -104.88 135.12 46.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.057 1.343 . . . . 0.0 109.222 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -99.68 167.41 10.58 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 119.292 0.951 . . . . 0.0 113.156 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.81 136.93 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.395 -169.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.97 -8.44 76.2 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 113.739 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -95.84 175.81 6.36 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.734 1.267 . . . . 0.0 112.287 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -136.7 160.03 40.05 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -169.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -138.69 158.86 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 127.159 2.184 . . . . 0.0 107.664 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.32 150.95 48.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.417 -0.802 . . . . 0.0 112.573 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.91 142.13 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.634 1.173 . . . . 0.0 109.129 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.08 -132.95 49.03 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -127.85 10.07 6.47 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.284 1.034 . . . . 0.0 111.901 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -139.6 -14.18 1.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -103.47 136.1 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 118.835 0.743 . . . . 0.0 110.398 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.29 141.89 51.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.127 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -121.97 139.99 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.365 1.466 . . . . 0.0 108.119 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -135.24 129.54 33.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.208 0.603 . . . . 0.0 109.617 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -85.91 110.87 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 172.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.4 mt -85.35 -26.78 26.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.447 0.699 . . . . 0.0 111.218 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.71 -171.75 34.31 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.352 0.501 . . . . 0.0 113.29 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.61 157.32 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.397 0.679 . . . . 0.0 111.983 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -147.83 89.87 1.79 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.669 1.188 . . . . 0.0 108.605 169.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.77 -119.01 12.44 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -172.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -84.83 -20.12 31.4 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.199 0.499 . . . . 0.0 112.307 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -72.68 143.43 48.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -135.89 115.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -176.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -86.51 125.33 33.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.23 139.82 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.012 0.925 . . . . 0.0 110.096 -168.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.86 140.03 15.84 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 124.211 0.91 . . . . 0.0 111.175 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.97 140.55 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.358 1.063 . . . . 0.0 109.902 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -133.58 110.09 9.67 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.363 1.065 . . . . 0.0 109.336 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.95 157.94 77.09 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.632 0.773 . . . . 0.0 111.565 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.74 161.62 38.19 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.051 2.501 . . . . 0.0 112.169 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.15 -17.22 63.28 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.032 0.933 . . . . 0.0 112.617 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.18 -16.18 64.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.068 1.347 . . . . 0.0 112.668 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.11 165.05 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.05 160.98 14.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.369 0.667 . . . . 0.0 111.487 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 121.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.305 0.642 . . . . 0.0 110.448 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -151.93 177.71 10.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.446 1.098 . . . . 0.0 110.18 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -82.66 164.21 20.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.789 -0.569 . . . . 0.0 110.588 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.89 -23.11 64.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.534 0.734 . . . . 0.0 112.396 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.02 -47.75 73.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.074 0.95 . . . . 0.0 111.32 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -77.44 -30.85 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.475 0.71 . . . . 0.0 109.99 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -55.07 -36.41 65.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.322 0.649 . . . . 0.0 112.61 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.46 -26.15 65.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.274 0.63 . . . . 0.0 112.428 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -72.07 -23.0 61.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.513 0.725 . . . . 0.0 110.779 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -95.52 -47.57 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 109.809 -170.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -70.37 3.03 3.22 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.2 66.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.022 0.929 . . . . 0.0 113.009 170.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.21 26.49 0.03 OUTLIER Glycine 0 CA--C 1.526 0.724 0 CA-C-N 118.799 0.727 . . . . 0.0 114.594 170.055 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -159.11 -176.18 5.69 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.196 0.998 . . . . 0.0 111.05 -169.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 7.5 m -123.85 -33.76 3.11 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . 0.618 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -159.57 -28.97 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.653 -170.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . 0.618 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 51.7 Cg_exo -73.41 -169.96 0.6 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 CA-C-N 120.875 1.348 . . . . 0.0 114.733 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t0 . . . . . 0 N--CA 1.452 -0.368 0 C-N-CA 125.239 1.416 . . . . 0.0 110.682 -169.793 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 112.021 3.821 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.701 3.501 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 1 O4'-C1'-N19 112.557 4.357 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.758 3.558 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 111.501 3.301 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-O4' 114.402 3.716 . 0.04 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.422 ' H41' HG22 ' D' ' 56' ' ' THR . . . . . . . . 0 O4'--C4' 1.418 -2.933 0 O4'-C1'-N19 111.991 3.791 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C3'-C2'-C1' 104.02 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 O5'-C5'-C4' 113.236 2.168 . 0.016 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.912 3.791 . 0.129 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 112.182 3.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C5'-C4'-C3' 112.302 -2.132 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 C5'-C4'-C3' 108.367 -4.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 O4'-C1'-N19 110.457 2.257 . 0.53 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.594 3.394 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O4'-C1'-N19 111.146 2.946 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 O4'-C1'-N19 112.036 3.836 . 0.757 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C5'-C4'-C3' 110.9 -3.067 . 0.059 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 110.854 2.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.778 3.578 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 112.512 4.312 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 111.13 2.93 . 0.096 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.578 4.378 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 O4'-C1'-N19 112.003 3.803 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 C5'-C4'-C3' 109.885 -3.744 . 0.439 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.3 3.1 . 0.418 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.519 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 C5'-C4'-C3' 111.711 -2.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 0 C5'-C4'-C3' 111.819 -2.454 . 0.059 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-C3' 111.362 -2.758 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.638 3.438 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C4'-C3'-C2' 100.392 -2.308 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.318 3.118 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 1 O4'-C1'-N19 112.297 4.097 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C4'-C3'-C2' 99.174 -3.526 . 0.451 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C4'-C3'-C2' 99.634 -3.066 . 0.183 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.494 3.294 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 P-O3'-C3' 122.529 2.357 . 0.03 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.961 3.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.402 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 C3'-C2'-C1' 104.153 2.948 . 0.179 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.402 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.263 1 O4'-C1'-N19 112.983 4.783 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.325 1 C5'-C4'-C3' 108.666 -4.556 . 0.029 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 O4'-C1'-N19 111.732 3.532 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 O4'-C1'-N19 113.611 5.411 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 1 O4'-C1'-N19 112.765 4.565 . 0.021 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 1 O4'-C1'-N19 112.481 4.281 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 O4'-C1'-N19 111.205 3.005 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.402 3.202 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.474 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.285 1 C3'-C2'-C1' 105.318 4.243 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.474 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 C4'-C3'-C2' 99.855 -2.845 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 111.095 -2.937 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 0 C5'-C4'-C3' 111.134 -2.911 . 0.398 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . 0.428 ' C8 ' ' CE ' ' B' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.413 -3.299 3 O5'-C5'-C4' 117.344 5.103 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 P-O3'-C3' 126.999 6.082 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 1 O4'-C1'-N19 112.458 4.258 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 100.259 -2.441 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 O4'-C1'-N19 110.941 2.741 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C5'-C4'-C3' 111.113 -2.925 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 112.121 3.921 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 O4'-C1'-N19 112.119 3.919 . 0.221 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 O4'-C1'-N19 111.426 3.226 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O4'-C1'-N19 111.739 3.539 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 C3'-C2'-C1' 105.126 4.029 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C5'-C4'-O4' 114.177 3.555 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 P-O3'-C3' 124.371 3.893 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 P-O3'-C3' 122.49 2.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.427 0 C5'-C4'-C3' 112.374 -2.084 . 0.156 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 2 C5'-C4'-C3' 104.704 -7.197 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 P-O3'-C3' 125.787 5.073 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O4'-C1'-N19 111.018 2.818 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 112.564 4.364 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 C4'-C3'-C2' 99.868 -2.832 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 0 O4'-C1'-N19 110.747 2.547 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.83 119.6 38.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.837 0.855 . . . . 0.0 109.609 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.66 137.81 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.069 0.948 . . . . 0.0 110.724 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.9 mt -136.22 153.96 51.07 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.634 1.174 . . . . 0.0 110.25 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -127.98 100.98 6.11 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.867 0.867 . . . . 0.0 109.878 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -129.91 146.04 51.62 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.52 -0.737 . . . . 0.0 111.22 -170.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.74 166.27 15.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.567 0.747 . . . . 0.0 111.34 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.3 t -44.58 129.33 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.832 0.853 . . . . 0.0 110.88 169.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 -10.86 72.45 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.167 0.889 . . . . 0.0 113.922 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -84.62 171.27 12.57 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.79 1.295 . . . . 0.0 111.75 174.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 m -139.94 158.62 43.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -168.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.8 mm -130.53 156.27 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 126.745 2.018 . . . . 0.0 108.092 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -133.44 142.21 48.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.273 1.029 . . . . 0.0 110.946 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mt -134.09 121.58 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.738 1.215 . . . . 0.0 108.187 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.429 ' C ' ' H ' ' A' ' 17' ' ' ASP . . . -77.69 10.11 26.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.9 5.23 4.34 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.636 0.718 . . . . 0.0 110.219 165.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . 0.429 ' H ' ' C ' ' A' ' 15' ' ' GLY . 46.9 m-20 88.74 45.21 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 130.005 3.322 . . . . 0.0 112.389 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.72 143.44 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 121.183 0.516 . . . . 0.0 111.993 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.9 m -125.29 142.13 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.275 1.03 . . . . 0.0 109.33 169.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -121.81 143.96 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.531 1.132 . . . . 0.0 108.868 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -135.38 133.96 39.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.695 0.798 . . . . 0.0 109.647 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -87.09 101.89 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 171.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.32 -25.83 58.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.032 -0.418 . . . . 0.0 110.47 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.58 -176.62 42.85 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 118.292 0.496 . . . . 0.0 114.174 168.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.81 151.96 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.7 m -140.92 65.49 1.4 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.913 1.285 . . . . 0.0 110.002 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.52 -127.96 11.02 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.19 -12.67 59.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.422 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 18.2 pt20 -98.72 130.07 45.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.772 1.272 . . . . 0.0 110.571 175.149 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.9 t -112.71 124.4 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 126.477 1.911 . . . . 0.0 108.859 -167.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -91.61 101.88 14.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -109.16 133.87 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.542 1.137 . . . . 0.0 109.451 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.84 138.69 14.72 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.088 0.851 . . . . 0.0 111.557 171.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.0 mt -111.33 135.69 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 108.624 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -123.93 74.95 1.32 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.229 1.012 . . . . 0.0 109.439 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.82 153.46 43.71 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 125.35 1.46 . . . . 0.0 111.116 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.81 155.12 43.84 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.057 2.505 . . . . 0.0 110.515 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -68.79 -3.26 11.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.96 -24.64 63.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.009 0.924 . . . . 0.0 111.991 169.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.24 143.96 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.853 0.835 . . . . 0.0 111.58 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.84 142.99 28.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 110.843 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.62 126.49 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 122.826 0.45 . . . . 0.0 110.455 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -152.06 155.1 37.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.881 0.872 . . . . 0.0 110.038 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.416 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -81.81 167.74 18.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.012 -0.43 . . . . 0.0 111.71 170.402 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.21 -34.99 78.83 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.566 0.746 . . . . 0.0 112.268 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.66 -22.19 44.42 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.103 1.361 . . . . 0.0 112.875 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.404 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 5.9 mt -124.98 -6.74 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.769 1.228 . . . . 0.0 110.779 -169.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -79.99 -39.09 30.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.539 -1.35 . . . . 0.0 110.744 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -71.38 -25.61 62.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.002 0.521 . . . . 0.0 111.721 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 19.2 ptp180 -74.83 -32.06 61.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.763 0.825 . . . . 0.0 111.836 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.406 ' HA ' HD13 ' A' ' 55' ' ' LEU . 71.6 mt -67.02 -48.68 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 87.1 mm-40 -82.88 5.14 22.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.719 0.808 . . . . 0.0 112.507 -176.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.77 -12.72 56.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.146 0.578 . . . . 0.0 112.296 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.03 -2.84 6.83 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 124.61 1.1 . . . . 0.0 112.926 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 51' ' ' ILE . 1.8 pp -91.58 90.77 7.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 122.781 1.277 . . . . 0.0 110.826 174.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.0 p -131.28 -13.04 3.5 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.252 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.09 156.35 76.79 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 124.262 1.025 . . . . 0.0 110.788 169.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.94 166.66 28.91 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.234 2.623 . . . . 0.0 112.077 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.451 -0.396 0 C-N-CA 124.421 1.088 . . . . 0.0 111.252 173.646 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.435 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 31.8 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.556 -0.259 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.3 120.56 38.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.206 1.402 . . . . 0.0 107.731 169.302 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -118.95 140.32 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.191 0.597 . . . . 0.0 112.522 -164.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -144.39 142.89 30.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.69 1.196 . . . . 0.0 111.867 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -89.75 124.38 34.58 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 165.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . 0.409 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -123.81 115.92 22.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.172 0.589 . . . . 0.0 109.793 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 71.4 tttt -84.43 148.85 26.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 20.5 m -54.78 128.88 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-O 121.329 0.585 . . . . 0.0 111.212 -170.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.06 -9.0 63.34 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.099 -0.834 . . . . 0.0 114.753 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -83.94 164.85 19.13 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 119.009 1.404 . . . . 0.0 111.455 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 39.4 m -132.45 158.61 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.61 0.764 . . . . 0.0 112.114 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.416 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 34.5 mt -138.6 157.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.589 1.555 . . . . 0.0 109.569 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -137.12 141.53 42.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.825 0.85 . . . . 0.0 111.053 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.9 mt -134.35 129.15 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 124.325 1.05 . . . . 0.0 109.386 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.98 -132.63 52.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -175.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -129.52 5.03 5.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.701 0.8 . . . . 0.0 112.878 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -114.57 -16.31 11.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.66 136.32 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 119.262 0.937 . . . . 0.0 111.665 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -129.75 148.88 51.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.027 1.331 . . . . 0.0 109.727 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -130.77 147.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.928 1.691 . . . . 0.0 108.365 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.29 134.12 32.16 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 122.969 0.508 . . . . 0.0 110.27 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.89 93.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 172.203 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.43 -34.85 78.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.977 -0.452 . . . . 0.0 110.962 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.46 -174.77 39.73 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 170.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -113.44 152.96 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.094 0.473 . . . . 0.0 110.314 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -127.67 73.05 1.42 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.57 1.148 . . . . 0.0 108.677 173.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.26 -120.19 5.07 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.98 12.21 34.97 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.682 0.793 . . . . 0.0 111.19 172.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -98.84 152.65 19.49 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.047 0.939 . . . . 0.0 109.703 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -133.5 115.38 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 117.54 25.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.269 1.427 . . . . 0.0 109.23 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -127.23 131.94 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.076 0.95 . . . . 0.0 109.672 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.92 137.15 13.09 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.34 130.12 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.908 0.883 . . . . 0.0 109.189 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -132.65 76.34 1.68 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.575 -167.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.06 157.14 56.05 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.258 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -58.84 154.88 41.08 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.686 1.591 . . . . 0.0 109.674 168.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -0.76 8.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.975 0.91 . . . . 0.0 111.197 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.82 -23.76 66.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.546 1.938 . . . . 0.0 111.352 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -112.89 144.15 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.99 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.475 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -85.64 140.0 30.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.233 0.54 . . . . 0.0 111.805 172.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.43 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 8.4 t -143.44 102.85 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.68 -166.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.475 ' HE2' ' HB2' ' B' ' 41' ' ' ALA . 0.9 OUTLIER -146.46 175.89 10.21 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.471 1.108 . . . . 0.0 110.981 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -82.11 163.48 21.98 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.865 0.466 . . . . 0.0 111.207 168.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -53.55 -41.27 66.29 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 123.469 0.708 . . . . 0.0 112.049 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.57 -43.92 36.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.063 0.545 . . . . 0.0 111.399 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -83.57 -47.91 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 125.278 1.431 . . . . 0.0 110.167 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -48.96 -37.65 20.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.65 1.18 . . . . 0.0 111.754 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.85 -25.91 65.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.734 0.814 . . . . 0.0 113.13 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -81.77 -39.54 23.96 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.154 0.888 . . . . 0.0 110.587 171.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.68 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.3 mm-40 -79.95 5.01 15.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.52 -14.82 56.46 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.201 0.6 . . . . 0.0 112.04 169.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.48 45.45 0.13 Allowed Glycine 0 C--N 1.339 0.706 0 CA-C-O 119.554 -0.581 . . . . 0.0 114.177 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -175.42 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.804 0.802 . . . . 0.0 112.737 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 42.0 p -128.77 179.32 5.77 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.278 1.431 . . . . 0.0 109.325 167.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.27 120.51 1.28 Allowed Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 124.345 1.058 . . . . 0.0 111.499 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -62.35 169.34 8.16 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.644 2.23 . . . . 0.0 114.309 -169.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.633 1.173 . . . . 0.0 112.584 176.698 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.73 110.99 22.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.093 0.957 . . . . 0.0 108.904 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.55 133.55 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 109.534 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.12 137.66 53.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.116 0.966 . . . . 0.0 110.097 169.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -98.1 144.74 27.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.067 0.547 . . . . 0.0 110.257 169.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.08 152.34 39.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.63 0.772 . . . . 0.0 111.031 176.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -91.94 161.13 14.94 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.961 0.904 . . . . 0.0 109.383 170.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.88 139.96 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 118.897 0.771 . . . . 0.0 111.93 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.17 89.13 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.857 1.218 . . . . 0.0 114.769 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -84.01 -175.34 5.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.789 1.795 . . . . 0.0 112.945 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.3 m -144.25 146.05 32.42 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -164.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -138.83 153.17 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 127.094 2.158 . . . . 0.0 108.969 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -130.45 148.69 52.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.818 1.247 . . . . 0.0 111.797 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -136.33 140.42 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.721 1.208 . . . . 0.0 109.255 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -135.8 51.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.61 10.04 7.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.765 0.826 . . . . 0.0 111.35 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.66 -10.24 5.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.307 1.043 . . . . 0.0 112.769 -172.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.08 135.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.437 0.695 . . . . 0.0 110.532 -174.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -133.84 144.56 49.02 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.821 1.248 . . . . 0.0 108.702 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 mt -135.25 136.69 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -121.67 134.05 54.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.349 1.06 . . . . 0.0 110.157 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -84.82 120.34 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.088 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -93.9 -34.67 13.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -173.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.81 41.2 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 120.394 -0.114 . . . . 0.0 113.17 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.35 152.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.176 0.59 . . . . 0.0 110.709 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -145.2 103.72 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.668 1.187 . . . . 0.0 107.839 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.86 -131.92 26.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -169.094 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.04 -3.76 58.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.701 0.801 . . . . 0.0 113.011 170.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.16 147.33 29.08 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.243 0.617 . . . . 0.0 110.111 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -131.43 112.4 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -76.76 110.35 11.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -116.53 133.3 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.784 1.234 . . . . 0.0 109.484 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.26 129.16 9.54 Favored Glycine 0 C--N 1.337 0.599 0 C-N-CA 123.909 0.766 . . . . 0.0 111.813 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -109.22 127.54 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.563 1.145 . . . . 0.0 108.505 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.78 96.06 5.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.633 0.773 . . . . 0.0 109.909 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.05 154.43 81.31 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.319 1.048 . . . . 0.0 110.345 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.11 152.54 80.66 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.846 2.364 . . . . 0.0 111.077 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.63 -0.94 3.18 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.261 0.624 . . . . 0.0 112.649 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.86 -22.16 66.51 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.285 1.034 . . . . 0.0 111.115 168.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.08 150.44 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.402 1.081 . . . . 0.0 110.716 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 155.54 20.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.879 0.472 . . . . 0.0 111.434 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.51 127.98 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.185 0.594 . . . . 0.0 109.758 169.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -154.17 151.81 29.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.959 0.504 . . . . 0.0 111.528 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -71.37 160.76 32.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.174 -0.329 . . . . 0.0 110.367 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.0 -33.04 71.45 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.18 -20.57 60.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.57 -33.25 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.778 0.831 . . . . 0.0 110.797 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.2 -38.19 73.32 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.457 -0.777 . . . . 0.0 111.759 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.97 -29.89 71.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.902 -0.499 . . . . 0.0 112.041 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -69.74 -34.09 73.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.123 0.969 . . . . 0.0 111.625 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.03 -24.29 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 123.506 0.722 . . . . 0.0 110.629 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -103.78 2.0 32.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.931 0.892 . . . . 0.0 111.84 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.21 -5.84 59.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 113.458 -173.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.71 114.75 2.91 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -171.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -160.71 173.36 15.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.241 1.016 . . . . 0.0 111.662 -168.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.0 p -98.2 4.7 48.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.03 0.932 . . . . 0.0 113.263 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.31 -29.8 2.32 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -65.91 175.36 4.67 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 122.213 1.942 . . . . 0.0 113.917 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.873 0.869 . . . . 0.0 112.353 -179.783 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.8 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.72 107.63 13.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.002 1.321 . . . . 0.0 109.138 172.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -100.12 139.64 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.119 1.367 . . . . 0.0 110.001 -175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.18 163.7 32.05 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.269 1.428 . . . . 0.0 110.985 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -103.93 119.28 38.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 163.406 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -107.24 130.15 54.78 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.134 0.573 . . . . 0.0 110.755 170.236 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.87 158.33 26.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.316 0.507 . . . . 0.0 110.414 169.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -56.57 138.46 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 111.58 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.96 -2.23 85.49 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.24 0.924 . . . . 0.0 114.151 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -98.6 177.73 5.23 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.833 1.316 . . . . 0.0 112.13 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 36.1 m -138.86 160.3 40.04 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -138.96 154.87 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 126.607 1.963 . . . . 0.0 108.881 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -123.99 150.09 45.24 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.99 0.916 . . . . 0.0 111.299 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -134.74 136.83 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.146 1.379 . . . . 0.0 109.134 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.42 -132.36 51.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -130.03 10.03 5.38 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.262 0.625 . . . . 0.0 112.056 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.03 -7.17 4.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.801 0.84 . . . . 0.0 113.078 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.06 134.73 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.401 0.68 . . . . 0.0 110.316 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -127.51 146.66 50.43 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.207 1.003 . . . . 0.0 110.01 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -125.86 141.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.406 1.482 . . . . 0.0 108.277 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -135.89 123.11 21.72 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.384 0.674 . . . . 0.0 109.521 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.89 101.01 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 mt -73.6 -31.74 63.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.257 0.623 . . . . 0.0 110.641 -170.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.2 40.34 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 122.678 0.18 . . . . 0.0 112.71 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -108.1 159.47 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.109 0.564 . . . . 0.0 110.141 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -139.6 76.45 1.56 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.494 0.717 . . . . 0.0 109.419 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.19 -114.28 3.82 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.5 mp0 -93.49 -3.52 52.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.414 0.686 . . . . 0.0 110.403 173.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . 0.4 HE22 ' N4 ' ' G' ' 4' ' ' ' C' . 59.6 mt-30 -74.63 154.85 38.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.341 0.591 . . . . 0.0 112.197 169.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.61 116.85 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.969 1.708 . . . . 0.0 106.714 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -97.49 115.05 27.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.754 1.222 . . . . 0.0 108.445 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.85 125.0 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.834 0.454 . . . . 0.0 111.104 -167.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.81 140.83 17.43 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 64.7 mt -131.14 139.17 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.12 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.0 99.12 3.81 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -170.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.6 155.5 80.49 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 124.555 1.142 . . . . 0.0 109.537 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.17 151.4 82.25 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.153 1.902 . . . . 0.0 110.732 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.62 -0.99 7.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 174.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -67.58 -21.66 65.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.796 1.238 . . . . 0.0 111.283 168.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.439 1.096 . . . . 0.0 110.682 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.22 157.05 17.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.197 0.599 . . . . 0.0 112.173 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -149.08 127.6 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 121.7 -0.625 . . . . 0.0 111.216 170.128 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -153.17 172.82 16.35 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.117 0.967 . . . . 0.0 111.522 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 50.7 mtp85 -69.76 164.09 24.31 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 166.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.06 -39.11 84.85 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 118.264 0.484 . . . . 0.0 111.333 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -50.03 -43.68 50.94 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.799 0.84 . . . . 0.0 112.613 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.55 -35.1 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.316 1.046 . . . . 0.0 110.521 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.12 -43.41 82.33 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.838 0.855 . . . . 0.0 110.456 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.19 -23.46 66.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.496 0.718 . . . . 0.0 112.724 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -77.15 -41.45 41.7 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 123.352 0.661 . . . . 0.0 110.897 170.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.427 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 63.0 mt -67.59 -29.47 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.604 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.66 1.99 50.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.402 1.081 . . . . 0.0 111.089 174.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.52 1.32 49.43 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.674 1.19 . . . . 0.0 112.891 177.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.71 42.09 0.97 Allowed Glycine 0 CA--C 1.526 0.749 0 CA-C-N 118.472 0.578 . . . . 0.0 113.789 171.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.427 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -159.7 -176.37 5.7 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.832 0.853 . . . . 0.0 111.416 -169.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 39.9 m -117.97 -65.27 1.2 Allowed 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 118.994 -0.526 . . . . 0.0 110.433 167.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.45 108.51 1.09 Allowed Pre-proline 0 N--CA 1.455 -0.219 0 C-N-CA 123.898 0.879 . . . . 0.0 109.447 168.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -66.58 174.12 6.87 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 122.545 2.163 . . . . 0.0 114.966 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t0 . . . . . 0 N--CA 1.452 -0.36 0 C-N-CA 125.15 1.38 . . . . 0.0 111.74 -176.382 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -103.9 120.11 40.33 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 96.4 mt -129.04 136.71 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.675 0.79 . . . . 0.0 109.563 -170.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -137.55 163.86 30.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 111.036 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 98.99 5.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 167.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -105.03 133.45 49.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.701 1.6 . . . . 0.0 109.262 -174.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -99.86 167.62 10.4 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 120.347 1.431 . . . . 0.0 112.889 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.4 138.73 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.698 -169.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.93 -4.7 85.57 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 123.936 0.779 . . . . 0.0 114.114 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -93.07 178.76 5.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.641 1.221 . . . . 0.0 111.469 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -138.18 159.84 40.98 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -138.81 157.12 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 126.891 2.076 . . . . 0.0 108.379 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.14 149.1 47.08 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.458 -0.776 . . . . 0.0 112.984 -174.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.2 141.71 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.534 1.134 . . . . 0.0 109.358 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.02 48.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -126.73 8.13 6.88 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.996 0.918 . . . . 0.0 111.754 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.29 -3.13 1.96 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -171.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.99 134.32 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.856 0.753 . . . . 0.0 110.679 -175.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -128.86 142.57 50.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 109.964 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -123.86 140.24 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.126 1.37 . . . . 0.0 108.178 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -135.71 129.59 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.051 0.541 . . . . 0.0 109.934 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.34 104.24 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -74.25 -28.03 61.03 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.81 0.444 . . . . 0.0 111.187 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -172.76 34.54 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 123.424 0.535 . . . . 0.0 113.704 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -120.13 156.93 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -144.82 89.92 2.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.928 1.291 . . . . 0.0 109.029 169.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.75 -112.32 4.86 Favored Glycine 0 CA--C 1.526 0.773 0 O-C-N 121.469 -0.77 . . . . 0.0 111.539 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -90.43 -21.74 21.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 117.881 0.84 . . . . 0.0 111.579 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -69.24 145.65 52.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.71 114.74 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.29 123.17 32.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.16 134.82 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.755 0.822 . . . . 0.0 110.475 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.06 141.02 15.16 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.579 1.085 . . . . 0.0 111.449 171.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -130.87 128.58 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.045 1.338 . . . . 0.0 108.932 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -130.14 98.99 4.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -172.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 154.87 75.96 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.757 1.223 . . . . 0.0 110.596 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.71 157.75 40.92 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.097 173.006 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -71.62 -0.97 12.01 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.37 -21.78 66.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.481 1.112 . . . . 0.0 111.714 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.8 157.64 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.245 1.018 . . . . 0.0 110.393 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.18 14.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 129.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.766 0.427 . . . . 0.0 110.749 170.272 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -150.73 169.12 22.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.41 1.084 . . . . 0.0 110.279 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.86 151.83 44.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 168.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.1 -27.93 64.14 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.639 0.654 . . . . 0.0 111.254 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.56 -46.0 90.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.394 1.078 . . . . 0.0 111.117 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.45 -39.54 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.732 0.813 . . . . 0.0 109.952 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -56.44 -36.3 68.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.312 0.645 . . . . 0.0 111.839 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.01 -21.9 62.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -72.04 -24.43 61.54 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.801 0.728 . . . . 0.0 111.23 171.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.63 -28.72 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.164 1.386 . . . . 0.0 110.138 -174.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -85.21 3.16 40.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.91 4.07 1.3 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.09 39.76 1.24 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 118.924 0.784 . . . . 0.0 113.062 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.33 -34.57 0.05 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -166.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m 49.9 45.32 25.12 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.636 1.174 . . . . 0.0 111.989 -168.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.04 123.0 3.96 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 124.387 1.075 . . . . 0.0 109.656 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.43 -40.97 82.62 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.108 2.539 . . . . 0.0 113.683 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 122.952 0.501 . . . . 0.0 111.952 -169.103 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -98.63 149.0 23.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.061 0.544 . . . . 0.0 111.457 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.68 135.45 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.915 0.886 . . . . 0.0 108.858 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.49 161.22 35.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 109.951 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.6 101.99 7.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 168.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.26 132.93 53.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.767 1.627 . . . . 0.0 111.075 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -97.43 166.87 11.33 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 119.692 1.133 . . . . 0.0 113.432 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.32 136.57 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.78 -169.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.09 -7.04 78.94 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.257 0.932 . . . . 0.0 113.784 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -93.68 174.22 7.29 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.707 1.254 . . . . 0.0 112.404 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -138.73 161.15 37.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -169.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -142.25 152.94 18.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.613 1.965 . . . . 0.0 108.103 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.56 147.92 44.54 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.728 0.811 . . . . 0.0 111.674 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.55 140.51 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.731 1.212 . . . . 0.0 109.503 174.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.83 -132.27 43.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -130.08 9.99 5.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.503 0.721 . . . . 0.0 111.705 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -137.41 -17.84 1.3 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.674 0.789 . . . . 0.0 113.101 -172.166 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.66 132.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 118.733 0.697 . . . . 0.0 109.925 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -123.84 143.6 50.24 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.662 0.785 . . . . 0.0 110.167 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -122.87 143.05 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.448 1.499 . . . . 0.0 108.344 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.9 m -138.88 131.79 29.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.368 0.667 . . . . 0.0 109.917 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -89.29 110.96 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.19 -33.37 26.17 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.006 0.523 . . . . 0.0 110.754 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -172.19 40.32 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 114.019 0.368 . . . . 0.0 114.019 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.61 159.08 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.706 0.803 . . . . 0.0 112.013 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.06 89.94 1.64 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.022 1.329 . . . . 0.0 108.996 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -115.27 5.89 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.624 -0.591 . . . . 0.0 111.624 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -88.22 -23.64 23.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.398 0.599 . . . . 0.0 111.556 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -73.64 146.9 44.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.684 0.754 . . . . 0.0 110.955 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.94 119.63 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -171.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -82.33 116.77 21.98 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.683 0.793 . . . . 0.0 109.048 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.76 138.51 54.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 123.493 0.717 . . . . 0.0 110.276 -172.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.36 143.97 16.33 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.186 0.898 . . . . 0.0 112.025 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.89 138.28 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.103 1.361 . . . . 0.0 109.784 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -126.8 107.0 9.73 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.874 1.27 . . . . 0.0 109.054 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.29 157.24 75.09 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.773 0.829 . . . . 0.0 111.589 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.6 161.7 34.34 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.923 2.415 . . . . 0.0 112.018 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -71.48 -5.08 30.37 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.449 0.7 . . . . 0.0 112.613 172.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.33 -19.55 63.06 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.742 1.217 . . . . 0.0 112.485 172.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -129.11 166.3 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.965 0.906 . . . . 0.0 111.127 -177.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.83 163.11 12.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.81 0.844 . . . . 0.0 111.193 173.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.06 127.01 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.33 0.652 . . . . 0.0 110.36 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -152.08 176.08 11.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.964 0.906 . . . . 0.0 110.335 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -79.07 163.37 25.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.07 -32.23 67.84 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.976 0.51 . . . . 0.0 112.266 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.51 -44.82 81.14 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.218 1.007 . . . . 0.0 111.732 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 mm -91.06 -29.28 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.769 0.828 . . . . 0.0 110.491 -169.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.86 -35.94 35.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.118 0.967 . . . . 0.0 112.752 175.253 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -59.57 -21.94 61.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.322 1.049 . . . . 0.0 112.647 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -77.8 -22.96 49.27 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.753 0.821 . . . . 0.0 110.644 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -95.42 -24.44 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.702 1.201 . . . . 0.0 109.628 -178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -85.41 -52.08 6.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 169.265 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.94 -11.49 19.7 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -164.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -141.29 -26.76 0.2 Allowed Glycine 0 CA--C 1.525 0.667 0 CA-C-N 119.309 0.959 . . . . 0.0 112.985 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 65.77 159.24 0.12 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 128.681 2.792 . . . . 0.0 113.348 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -96.99 1.13 49.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.741 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.98 134.29 17.92 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.214 1.006 . . . . 0.0 109.838 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -65.47 -179.87 1.36 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.044 2.496 . . . . 0.0 113.246 171.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.455 -0.215 0 C-N-CA 124.317 1.047 . . . . 0.0 112.546 176.027 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 111.649 3.449 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.628 3.428 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.595 4.395 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . 0.4 ' N4 ' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 O4'-C1'-N19 111.904 3.704 . 0.226 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C5'-C4'-C3' 110.234 -3.51 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 C5'-C4'-C3' 108.903 -4.398 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 C5'-C4'-C3' 108.378 -4.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C3'-C2'-C1' 104.019 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 O5'-C5'-C4' 113.444 2.317 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.79 3.656 . 0.112 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.919 3.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.975 0 C5'-C4'-C3' 112.211 -2.193 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 C5'-C4'-C3' 108.584 -4.61 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C4'-C3'-C2' 100.127 -2.573 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.753 3.553 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 111.223 3.023 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 O4'-C1'-N19 112.042 3.842 . 0.71 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C5'-C4'-C3' 110.573 -3.284 . 0.132 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.016 2.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 O4'-C1'-N19 111.859 3.659 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 1 O4'-C1'-N19 112.68 4.48 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 O4'-C1'-N19 111.035 2.835 . 0.033 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.89 4.69 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 112.106 3.906 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C5'-C4'-C3' 110.173 -3.551 . 0.374 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 O4'-C1'-N19 111.005 2.805 . 0.364 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.474 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 C5'-C4'-C3' 111.87 -2.42 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.43 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 C5'-C4'-C3' 112.033 -2.311 . 0.071 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 111.403 -2.731 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.452 HO2' ' P ' ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 C5'-C4'-C3' 109.166 -4.223 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.452 ' P ' HO2' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.238 1 P-O3'-C3' 125.271 4.643 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 O4'-C1'-N19 111.345 3.145 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 112.238 4.038 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 C4'-C3'-C2' 99.052 -3.648 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 C4'-C3'-C2' 99.699 -3.001 . 0.262 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.819 3.619 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 109.867 -3.756 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 110.608 -3.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 C3'-C2'-C1' 104.166 2.963 . 0.214 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 1 O4'-C1'-N19 113.12 4.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 1 C5'-C4'-C3' 109.255 -4.163 . 0.021 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 2 C3'-C2'-C1' 106.305 5.339 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O4'-C1'-N19 112.987 4.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 113.04 4.84 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.744 4.544 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C4'-C3'-C2' 99.779 -2.921 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.396 3.196 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.483 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.229 1 C3'-C2'-C1' 105.488 4.431 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.483 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C4'-C3'-C2' 99.975 -2.725 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C5'-C4'-C3' 111.071 -2.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 0 C5'-C4'-C3' 110.994 -3.004 . 0.394 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . 0.435 ' C8 ' ' CE ' ' B' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.413 -3.294 3 O5'-C5'-C4' 117.817 5.441 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 1 P-O3'-C3' 127.009 6.091 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 O4'-C1'-N19 112.196 3.996 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C4'-C3'-C2' 99.898 -2.802 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 111.203 3.003 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C5'-C4'-C3' 111.557 -2.629 . 0.806 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.3 3.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 111.992 3.792 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 111.278 3.078 . 0.219 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 O4'-C1'-N19 111.857 3.657 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 O4'-C1'-N19 112.119 3.919 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.48 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C3'-C2'-C1' 104.129 2.921 . 0.389 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.48 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 C4'-C3'-C2' 99.218 -3.482 . 0.012 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 110.571 2.371 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 0 C5'-C4'-C3' 110.624 -3.251 . 0.155 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 2 C5'-C4'-C3' 105.692 -6.539 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 1 P-O3'-C3' 125.926 5.188 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 O4'-C1'-N19 110.958 2.758 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.613 4.413 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C4'-C3'-C2' 99.734 -2.966 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 0 O4'-C1'-N19 111.176 2.976 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.21 113.97 25.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.697 0.799 . . . . 0.0 109.745 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.12 134.34 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.531 0.732 . . . . 0.0 109.412 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.5 mt -131.2 158.8 39.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.192 0.997 . . . . 0.0 109.909 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -128.09 100.89 6.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.706 0.802 . . . . 0.0 108.93 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -122.57 156.54 34.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.932 -0.48 . . . . 0.0 111.251 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -108.82 163.16 13.52 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.316 1.047 . . . . 0.0 110.395 -168.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -48.23 128.85 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.736 0.414 . . . . 0.0 111.124 -179.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.15 74.02 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.142 0.877 . . . . 0.0 113.976 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -95.82 169.91 9.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.51 1.155 . . . . 0.0 112.262 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -138.04 154.09 49.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.448 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.6 mm -120.12 157.69 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.311 1.844 . . . . 0.0 109.713 175.362 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -130.41 136.67 49.28 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.078 0.951 . . . . 0.0 111.055 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -132.9 128.84 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.412 1.085 . . . . 0.0 109.582 -176.213 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.36 -125.94 21.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -129.28 -0.98 5.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.043 0.937 . . . . 0.0 111.827 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -146.29 -2.05 0.7 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -168.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.32 134.36 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.514 1.052 . . . . 0.0 110.718 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -133.88 132.66 40.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.918 0.887 . . . . 0.0 110.078 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 mm -112.99 145.56 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.26 1.024 . . . . 0.0 109.088 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -137.06 132.77 34.63 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.224 0.61 . . . . 0.0 110.429 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.88 99.2 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -29.17 64.4 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -175.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.95 175.41 38.9 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-N 117.87 0.305 . . . . 0.0 113.844 168.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.54 152.22 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.825 0.85 . . . . 0.0 111.505 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -139.08 61.02 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.847 1.259 . . . . 0.0 109.377 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.65 -122.22 6.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -174.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.56 -15.17 58.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.447 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.6 pt20 -98.75 146.05 26.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 122.662 1.22 . . . . 0.0 111.72 170.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -128.74 120.03 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 126.073 1.749 . . . . 0.0 108.334 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -90.51 101.86 14.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.5 mt -108.81 135.23 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.759 1.224 . . . . 0.0 109.223 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.54 139.26 15.25 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 123.743 0.687 . . . . 0.0 111.538 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.44 135.67 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.209 1.404 . . . . 0.0 108.809 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -116.93 78.14 1.18 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.368 1.067 . . . . 0.0 109.084 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.37 153.76 45.54 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.63 0.772 . . . . 0.0 110.583 172.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.21 155.5 46.82 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.685 2.257 . . . . 0.0 110.51 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -69.24 -2.79 11.46 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -69.77 -26.12 64.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.962 0.905 . . . . 0.0 111.968 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -114.98 144.05 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.899 0.857 . . . . 0.0 111.631 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.37 143.03 30.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.782 0.833 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 m -132.58 127.52 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.926 0.49 . . . . 0.0 110.169 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -152.73 161.52 42.46 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.524 0.73 . . . . 0.0 110.475 -172.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 163.7 16.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 122.122 -0.362 . . . . 0.0 111.402 168.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.82 -24.03 64.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.754 0.422 . . . . 0.0 112.119 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.38 -27.32 68.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.269 1.027 . . . . 0.0 112.676 169.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.35 -24.45 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.359 1.064 . . . . 0.0 110.889 -169.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -60.59 -32.06 71.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.597 -0.689 . . . . 0.0 110.674 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -75.44 -12.75 60.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.45 0.7 . . . . 0.0 111.992 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.98 -32.8 39.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.865 0.866 . . . . 0.0 110.765 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.68 -53.2 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.769 0.827 . . . . 0.0 108.848 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 82.5 mm-40 -84.08 5.12 27.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.824 0.849 . . . . 0.0 112.416 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.68 69.84 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.788 0.435 . . . . 0.0 110.959 168.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.26 18.88 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.47 170.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.6 mt -94.55 90.58 6.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.891 1.346 . . . . 0.0 108.227 -176.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p 169.8 170.17 0.05 Allowed 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.965 2.106 . . . . 0.0 108.52 -169.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.64 152.12 46.63 Favored Pre-proline 0 N--CA 1.454 -0.229 0 O-C-N 121.897 -0.502 . . . . 0.0 110.636 168.376 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -75.59 163.63 33.71 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.157 2.571 . . . . 0.0 112.208 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 124.641 1.176 . . . . 0.0 111.811 177.211 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.31 123.18 49.53 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 169.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -120.01 138.14 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 122.965 0.506 . . . . 0.0 112.361 -165.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.5 mt -142.67 137.95 30.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.494 1.118 . . . . 0.0 111.159 -173.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 36.5 p -86.71 123.38 31.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 166.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -116.55 126.49 53.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.815 0.446 . . . . 0.0 110.382 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.447 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 19.5 tttp -83.98 150.1 25.86 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.068 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 33.0 m -56.52 130.52 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.388 0.54 . . . . 0.0 111.148 -171.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.9 61.37 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.65 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -86.69 166.14 15.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.97 1.385 . . . . 0.0 112.058 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -130.72 155.39 46.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mm -132.76 149.79 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 126.934 2.093 . . . . 0.0 108.598 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -130.96 140.75 50.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.029 0.931 . . . . 0.0 110.484 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.55 126.29 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.309 1.044 . . . . 0.0 109.431 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.77 -133.04 52.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.97 4.99 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.673 0.789 . . . . 0.0 113.02 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -111.39 -19.86 12.45 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.73 136.09 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 119.2 0.909 . . . . 0.0 111.618 -169.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -130.85 148.16 52.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.989 1.316 . . . . 0.0 109.474 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -131.01 144.22 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.483 1.513 . . . . 0.0 108.011 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -137.35 129.84 29.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.912 0.485 . . . . 0.0 110.115 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.52 102.27 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.55 -33.46 71.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.803 -0.561 . . . . 0.0 110.438 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.51 178.02 36.02 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 170.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -105.42 148.84 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 O-C-N 122.396 -0.473 . . . . 0.0 109.888 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -123.52 77.88 1.54 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.91 -119.39 4.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.14 10.44 40.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.139 0.576 . . . . 0.0 110.953 172.439 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.92 155.75 17.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.04 0.936 . . . . 0.0 110.069 170.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.59 113.21 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 123.136 0.574 . . . . 0.0 109.566 -169.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.0 116.2 24.89 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.355 1.462 . . . . 0.0 109.576 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.17 129.95 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.246 1.018 . . . . 0.0 109.72 -170.064 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.3 136.71 13.15 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.67 129.59 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.75 0.82 . . . . 0.0 109.197 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -129.78 80.08 1.94 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.484 -168.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.82 72.5 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.693 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -60.52 156.78 39.84 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.645 1.563 . . . . 0.0 110.232 168.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.68 -0.87 19.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.998 0.904 . . . . 0.0 111.884 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.83 -22.16 66.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.644 1.578 . . . . 0.0 111.506 170.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.2 m -112.27 144.06 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.373 1.069 . . . . 0.0 109.524 173.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.439 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -87.39 141.47 28.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 111.389 172.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.65 99.46 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.833 -166.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.493 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.6 OUTLIER -143.11 168.74 19.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.88 0.872 . . . . 0.0 110.213 177.154 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.448 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.51 157.59 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.178 -0.326 . . . . 0.0 111.426 169.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -53.57 -40.08 65.31 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.482 0.713 . . . . 0.0 112.058 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -49.73 30.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.737 0.815 . . . . 0.0 111.592 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.11 -45.51 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.835 1.254 . . . . 0.0 110.817 -175.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.39 -36.38 43.18 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.2 1.0 . . . . 0.0 111.856 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -68.9 -23.89 64.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -81.62 -39.66 24.13 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.064 0.847 . . . . 0.0 110.313 170.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.78 -40.72 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -80.27 4.27 18.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.88 -17.93 51.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.179 0.591 . . . . 0.0 111.344 168.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.31 47.66 0.1 OUTLIER Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.49 -0.616 . . . . 0.0 114.121 169.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.02 -176.95 2.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.857 0.828 . . . . 0.0 112.76 -168.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -127.26 -176.42 3.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 125.429 1.491 . . . . 0.0 109.448 168.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.95 119.0 3.13 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 123.666 0.787 . . . . 0.0 111.126 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.26 -50.12 12.02 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.921 2.414 . . . . 0.0 112.484 -169.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.591 0.71 . . . . 0.0 111.055 -175.472 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 101.327 -3.583 . . . . 0.0 101.327 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.21 110.49 22.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -169.256 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -85.19 130.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -123.82 137.53 54.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.834 0.854 . . . . 0.0 109.605 170.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.6 p -94.29 136.99 33.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.47 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.35 141.86 43.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.971 0.508 . . . . 0.0 110.792 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -80.26 156.37 26.87 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.635 1.174 . . . . 0.0 108.61 169.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -60.45 135.17 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.53 -3.67 81.79 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.677 1.132 . . . . 0.0 114.086 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -90.11 176.81 6.63 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.097 1.449 . . . . 0.0 112.257 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -139.13 157.78 45.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -167.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -136.82 158.01 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.799 2.44 . . . . 0.0 108.203 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -131.31 145.25 51.79 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.214 1.005 . . . . 0.0 111.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.84 139.39 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.691 1.196 . . . . 0.0 109.733 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -131.19 51.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -129.99 9.96 5.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.772 0.829 . . . . 0.0 110.985 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.01 -11.34 4.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.696 1.198 . . . . 0.0 112.966 -169.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.04 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.133 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.9 m -123.45 138.21 54.63 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.683 0.793 . . . . 0.0 109.691 175.048 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.46 140.71 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.993 1.317 . . . . 0.0 108.522 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.8 m -136.78 128.18 28.35 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.907 -0.496 . . . . 0.0 110.471 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.54 106.57 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.36 -33.68 28.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.02 -171.89 41.96 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 121.756 -0.259 . . . . 0.0 113.299 168.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.25 153.52 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.281 0.632 . . . . 0.0 110.737 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.4 p -143.73 110.46 5.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.082 0.953 . . . . 0.0 108.866 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.36 -124.7 35.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -169.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -95.47 -0.51 52.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.057 0.943 . . . . 0.0 112.242 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -83.89 153.12 24.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 t -131.2 121.78 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.495 1.118 . . . . 0.0 108.173 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -80.62 112.05 17.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.67 130.16 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.255 1.422 . . . . 0.0 108.9 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.52 139.46 14.41 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.524 1.059 . . . . 0.0 111.771 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.44 113.14 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 125.055 1.342 . . . . 0.0 107.826 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -123.25 94.42 4.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 110.258 -168.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.99 158.09 76.18 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.684 1.193 . . . . 0.0 109.901 -175.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.48 149.5 89.37 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.375 2.05 . . . . 0.0 110.91 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -65.35 -0.92 2.06 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.676 0.79 . . . . 0.0 112.604 173.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.9 -24.19 66.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.473 1.109 . . . . 0.0 111.491 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.57 148.33 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.15 0.98 . . . . 0.0 110.493 174.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.09 21.95 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.559 0.344 . . . . 0.0 111.357 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 m -136.76 129.99 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -153.12 150.28 28.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.995 0.518 . . . . 0.0 111.089 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -71.09 157.72 37.7 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 167.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.55 -34.58 72.85 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -168.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.92 -23.01 64.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.3 mm -94.06 -35.61 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.605 0.762 . . . . 0.0 110.735 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -52.84 -33.95 51.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.171 0.989 . . . . 0.0 112.586 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.53 -27.66 68.77 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.509 0.724 . . . . 0.0 112.622 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -69.14 -36.0 76.98 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.231 0.612 . . . . 0.0 111.644 172.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -69.29 -18.94 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 O-C-N 122.027 -0.421 . . . . 0.0 110.043 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -91.18 -7.28 51.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.588 0.755 . . . . 0.0 112.563 171.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.87 -21.02 22.73 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.362 1.065 . . . . 0.0 112.479 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.33 142.09 12.9 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.039 0.828 . . . . 0.0 111.824 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.0 162.6 41.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.108 0.963 . . . . 0.0 111.912 -171.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.7 t 45.99 -162.37 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 126.644 1.978 . . . . 0.0 113.398 -176.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 128.18 93.63 Favored Pre-proline 0 N--CA 1.452 -0.346 0 O-C-N 121.386 -0.822 . . . . 0.0 110.428 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -66.0 174.21 6.12 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.533 2.156 . . . . 0.0 113.183 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.455 -0.19 0 C-N-CA 124.004 0.922 . . . . 0.0 112.563 179.464 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttp . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.97 124.92 50.55 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.798 1.639 . . . . 0.0 108.938 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . 0.406 HD12 " H5'" ' G' ' 67' ' ' ' C' . 4.2 mp -120.45 136.98 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.214 1.006 . . . . 0.0 109.799 -169.24 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -136.87 162.38 33.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.943 1.297 . . . . 0.0 111.582 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.91 113.45 23.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 165.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -114.6 144.17 43.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 168.12 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -78.43 161.12 27.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 110.11 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -54.28 135.3 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.441 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.27 78.1 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.42 1.01 . . . . 0.0 114.186 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -99.88 171.83 7.62 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.043 1.421 . . . . 0.0 112.169 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -129.4 155.76 45.15 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -168.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 30.4 mt -140.75 158.07 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 126.5 1.92 . . . . 0.0 109.199 -179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -130.07 149.5 51.76 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.669 1.188 . . . . 0.0 111.71 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.4 mt -135.33 134.2 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 125.055 1.342 . . . . 0.0 109.228 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.48 -134.53 52.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.49 9.95 5.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.961 0.905 . . . . 0.0 112.441 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -124.04 -14.22 7.14 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.82 134.6 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.983 0.81 . . . . 0.0 110.923 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -125.06 144.79 50.23 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.201 1.001 . . . . 0.0 109.865 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.43 140.92 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.164 1.386 . . . . 0.0 108.282 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -134.99 125.59 26.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -81.53 107.92 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 mt -83.17 -30.9 27.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.09 -0.381 . . . . 0.0 110.56 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.91 -177.65 40.34 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.472 -0.394 . . . . 0.0 113.382 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -108.75 160.56 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.217 0.607 . . . . 0.0 111.567 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -142.6 79.85 1.67 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.426 1.49 . . . . 0.0 108.162 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -114.93 5.8 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.7 -15.62 34.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.055 0.942 . . . . 0.0 111.105 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.44 159.16 21.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.363 0.602 . . . . 0.0 112.227 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 17.6 t -141.0 122.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.307 1.043 . . . . 0.0 108.454 -172.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -82.33 120.1 24.98 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.295 0.638 . . . . 0.0 109.917 171.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -125.9 118.34 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.081 0.953 . . . . 0.0 109.468 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.22 143.2 23.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.357 1.456 . . . . 0.0 110.909 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.6 138.58 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.53 97.19 3.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -172.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.24 153.02 79.23 Favored Pre-proline 0 N--CA 1.451 -0.382 0 C-N-CA 124.599 1.159 . . . . 0.0 109.478 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -60.88 150.21 84.56 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.18 1.92 . . . . 0.0 110.593 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -69.05 -0.9 6.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 174.709 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.07 -22.58 65.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.749 1.22 . . . . 0.0 111.357 168.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -124.22 159.03 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.318 1.047 . . . . 0.0 110.585 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.34 157.04 17.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.299 0.64 . . . . 0.0 112.079 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.98 128.32 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 O-C-N 121.688 -0.633 . . . . 0.0 110.604 168.852 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -149.58 167.7 25.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.917 0.887 . . . . 0.0 111.353 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -64.94 157.7 27.39 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 167.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -63.25 -34.84 78.53 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.476 -0.765 . . . . 0.0 111.522 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -27.71 67.61 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.473 0.709 . . . . 0.0 112.728 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -84.3 -37.5 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.017 0.927 . . . . 0.0 110.912 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . 0.426 ' CE1' ' NE2' ' D' ' 52' ' ' GLN . 65.4 t80 -53.1 -37.44 61.71 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.064 0.946 . . . . 0.0 111.806 -172.69 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.08 -21.04 64.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.68 1.192 . . . . 0.0 113.579 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.35 -34.36 42.18 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.378 1.071 . . . . 0.0 110.696 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.472 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.4 mp -79.91 -18.65 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.933 1.693 . . . . 0.0 109.213 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . 0.426 ' NE2' ' CE1' ' D' ' 48' ' ' TYR . 11.5 mm-40 -92.49 0.8 57.47 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.692 -0.63 . . . . 0.0 112.66 169.371 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 -50.36 2.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.308 1.043 . . . . 0.0 112.618 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.27 7.1 0.04 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 115.899 1.12 . . . . 0.0 115.899 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 59.57 50.28 7.55 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.665 1.186 . . . . 0.0 110.117 165.811 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . 0.379 0.1 OUTLIER -75.0 3.9 7.56 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 117.742 2.497 . . . . 0.0 117.742 -162.572 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.22 78.97 18.28 Favored Pre-proline 0 N--CA 1.453 -0.284 0 C-N-CA 123.267 0.627 . . . . 0.0 109.884 167.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.86 150.29 72.71 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.543 2.829 . . . . 0.0 112.482 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t0 . . . . . 0 CA--C 1.532 0.251 0 C-N-CA 124.981 1.312 . . . . 0.0 113.392 170.43 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.35 144.53 46.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.281 1.033 . . . . 0.0 110.05 -177.012 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.49 126.78 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 170.205 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.61 163.67 19.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.559 1.544 . . . . 0.0 110.422 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.46 126.81 33.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 168.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 tpm_? -135.24 128.67 32.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.309 1.044 . . . . 0.0 109.752 -169.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -88.08 163.88 16.02 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 119.399 1.0 . . . . 0.0 112.753 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -59.27 137.92 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.173 -174.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.84 -5.44 82.08 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.037 -0.868 . . . . 0.0 114.21 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -96.36 -178.96 4.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.9 1.35 . . . . 0.0 111.535 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.51 160.96 37.68 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mm -133.63 155.71 40.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 127.731 2.412 . . . . 0.0 108.105 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.34 150.76 50.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.17 -0.956 . . . . 0.0 113.399 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -138.14 139.32 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.765 1.226 . . . . 0.0 109.219 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.23 -137.03 47.84 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -125.06 8.47 8.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.191 0.997 . . . . 0.0 111.605 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -136.31 -7.02 2.02 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.55 133.94 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 118.77 0.714 . . . . 0.0 110.771 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -126.85 142.57 51.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.442 1.097 . . . . 0.0 110.044 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -121.51 137.25 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 108.125 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 53.9 m -133.28 126.71 32.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 109.705 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.02 99.71 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.35 -30.44 68.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.962 -0.461 . . . . 0.0 110.904 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.2 -169.14 33.69 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.038 0.351 . . . . 0.0 113.484 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -125.28 158.84 33.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.645 0.778 . . . . 0.0 112.504 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -146.52 89.97 1.89 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.922 1.289 . . . . 0.0 109.46 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.92 -104.3 1.69 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 -176.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -100.45 -15.7 17.82 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.253 0.621 . . . . 0.0 111.798 171.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.07 146.48 39.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.627 0.727 . . . . 0.0 109.344 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -140.0 108.01 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -87.89 123.23 32.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.25 130.21 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.833 0.853 . . . . 0.0 110.335 -168.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.11 138.36 14.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.66 132.2 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.348 1.059 . . . . 0.0 109.152 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -132.14 98.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -172.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.4 155.33 80.85 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.671 1.188 . . . . 0.0 110.322 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.02 157.76 42.34 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.75 2.3 . . . . 0.0 112.107 172.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -71.6 -1.01 12.08 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.449 0.7 . . . . 0.0 112.63 172.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.74 -22.8 66.04 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.654 1.182 . . . . 0.0 111.754 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -122.49 158.64 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.046 0.938 . . . . 0.0 110.733 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.66 158.21 16.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.896 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.99 129.4 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.029 0.532 . . . . 0.0 110.239 169.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -151.2 169.29 22.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.2 1.0 . . . . 0.0 110.317 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -64.6 156.27 30.56 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.32 -23.83 67.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.145 -0.347 . . . . 0.0 111.254 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.13 -50.41 69.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.18 0.992 . . . . 0.0 111.029 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -79.32 -33.15 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.77 -35.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.673 0.789 . . . . 0.0 112.272 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.34 -25.18 64.07 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.147 0.579 . . . . 0.0 112.522 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -72.15 -25.97 61.92 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.025 0.53 . . . . 0.0 110.297 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 90.6 mt -98.91 -29.68 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.32 1.048 . . . . 0.0 110.912 -169.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -85.09 3.16 40.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.43 4.08 0.26 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 171.451 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.79 -120.85 2.48 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 125.913 1.721 . . . . 0.0 109.884 -169.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.437 ' C ' ' CD2' ' E' ' 55' ' ' LEU . 0.0 OUTLIER 36.43 -11.87 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.259 2 C-N-CA 132.868 4.467 . . . . 0.0 122.976 163.167 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 7.2 p -61.58 -25.81 67.56 Favored 'General case' 0 N--CA 1.458 -0.075 0 CA-C-N 121.836 2.107 . . . . 0.0 112.762 -165.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.41 96.05 34.17 Favored Pre-proline 0 N--CA 1.45 -0.43 0 C-N-CA 124.568 1.147 . . . . 0.0 108.036 167.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -57.28 -40.84 79.13 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.165 2.577 . . . . 0.0 113.219 -171.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.451 -0.42 0 C-N-CA 123.269 0.628 . . . . 0.0 110.782 -168.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.254 0.073 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -94.79 150.22 20.43 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.074 0.55 . . . . 0.0 111.571 174.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.58 132.37 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 169.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -129.91 159.4 36.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.014 1.326 . . . . 0.0 109.937 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -130.39 102.19 6.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -104.86 162.02 13.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.542 176.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -118.15 173.43 6.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 169.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -57.06 135.31 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.818 -169.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.0 -4.36 78.07 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.357 0.98 . . . . 0.0 114.185 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -99.57 171.59 7.83 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.651 1.225 . . . . 0.0 112.329 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -138.31 166.84 23.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 13.4 mt -152.18 156.41 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 128.455 2.702 . . . . 0.0 107.402 -169.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -136.25 152.35 50.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.47 -0.768 . . . . 0.0 112.534 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.37 141.39 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.721 1.208 . . . . 0.0 108.878 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.52 -134.36 52.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -174.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.67 10.11 6.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.422 1.089 . . . . 0.0 112.399 174.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -133.33 -17.26 2.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -100.35 137.67 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.285 0.948 . . . . 0.0 110.871 -171.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -132.58 139.55 47.86 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.395 1.078 . . . . 0.0 110.132 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.5 mm -121.17 143.18 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.906 1.282 . . . . 0.0 108.621 175.028 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -138.96 128.54 24.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.609 0.764 . . . . 0.0 109.923 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.21 117.71 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -86.37 -30.62 22.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.177 0.591 . . . . 0.0 111.055 -176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.93 -175.28 33.75 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 122.888 0.28 . . . . 0.0 113.507 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.84 157.93 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 123.102 0.561 . . . . 0.0 112.154 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -149.98 103.45 3.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.443 1.097 . . . . 0.0 109.118 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.44 -114.22 6.32 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -96.59 -15.24 21.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.177 0.489 . . . . 0.0 112.189 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.73 142.3 38.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.531 0.732 . . . . 0.0 110.386 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.7 t -132.48 113.79 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -174.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -88.4 127.51 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.425 0.69 . . . . 0.0 109.52 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -133.21 135.31 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.905 0.882 . . . . 0.0 110.555 -168.051 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.82 138.72 14.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.243 0.925 . . . . 0.0 111.102 170.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.4 mt -130.99 130.17 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.627 1.171 . . . . 0.0 108.732 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -133.3 108.57 8.82 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.053 0.541 . . . . 0.0 109.72 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.63 158.74 74.84 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 124.01 0.924 . . . . 0.0 111.257 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.08 162.42 32.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.927 2.418 . . . . 0.0 112.239 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.1 -11.39 58.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.569 0.748 . . . . 0.0 112.61 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -19.79 66.16 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.034 1.334 . . . . 0.0 112.627 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -128.21 164.79 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.848 0.859 . . . . 0.0 111.224 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 162.53 13.53 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.733 172.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -154.95 119.92 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.68 0.792 . . . . 0.0 110.078 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.56 176.16 12.01 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.695 0.798 . . . . 0.0 110.658 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -80.38 163.88 23.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.83 -0.544 . . . . 0.0 110.104 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.16 -31.18 68.75 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.912 0.485 . . . . 0.0 112.261 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -47.59 78.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.9 0.88 . . . . 0.0 111.443 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -86.84 -29.95 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.643 0.777 . . . . 0.0 110.327 -170.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -50.95 -36.7 40.17 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.298 1.039 . . . . 0.0 112.693 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.59 -21.93 63.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 112.395 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.48 -22.95 53.85 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.808 0.843 . . . . 0.0 110.737 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -96.88 -23.27 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.822 1.249 . . . . 0.0 109.84 -177.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -85.39 -49.48 8.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 170.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.42 -24.48 13.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.31 -28.79 0.89 Allowed Glycine 0 CA--C 1.526 0.725 0 CA-C-N 118.757 0.708 . . . . 0.0 112.171 -170.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 67.05 155.99 0.1 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 129.007 2.923 . . . . 0.0 113.407 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -99.04 144.6 28.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.329 -176.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.12 73.19 0.98 Allowed Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 125.259 1.424 . . . . 0.0 112.768 -169.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.39 174.32 1.58 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.552 2.834 . . . . 0.0 114.143 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 N--CA 1.453 -0.299 0 C-N-CA 124.685 1.194 . . . . 0.0 112.79 177.665 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.973 3.773 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.602 3.402 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 O4'-C1'-N19 112.7 4.5 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.89 3.69 . 0.315 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 O4'-C1'-N19 111.814 3.614 . 0.067 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C5'-C4'-O4' 113.935 3.382 . 0.101 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 1 O4'-C1'-N19 112.343 4.143 . 0.324 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C5'-C4'-C3' 111.006 -2.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 O4'-C1'-N19 110.769 2.569 . 0.018 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 1 C3'-C2'-C1' 105.254 4.171 . 0.127 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 112.196 3.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.444 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 C5'-C4'-C3' 111.602 -2.599 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 108.743 -4.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 99.942 -2.758 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 111.475 3.275 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 O4'-C1'-N19 111.515 3.315 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 C5'-C4'-C3' 109.687 -3.875 . 0.725 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-C3' 110.656 -3.23 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 110.957 2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 111.967 3.767 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 1 O4'-C1'-N19 112.591 4.391 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 0 O4'-C1'-N19 110.725 2.525 . 0.217 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.925 4.725 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 112.085 3.885 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 N19-C1'-C2' 108.635 -2.978 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.97 0 O5'-C5'-C4' 114.36 2.972 . 0.426 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.493 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C5'-C4'-C3' 111.949 -2.367 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.393 0 C5'-C4'-C3' 112.187 -2.209 . 0.044 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C5'-C4'-C3' 111.134 -2.911 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.604 3.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 C4'-C3'-C2' 100.3 -2.4 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.169 2.969 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 1 O4'-C1'-N19 112.386 4.186 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C4'-C3'-C2' 99.236 -3.464 . 0.462 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 0 C4'-C3'-C2' 99.758 -2.942 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 111.986 3.786 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 2 O4'-C1'-N19 112.796 4.596 OUTLIER-EPSILON 0.108 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 P-O3'-C3' 124.589 4.074 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.405 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 C3'-C2'-C1' 104.142 2.936 . 0.187 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.405 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.154 1 O4'-C1'-N19 113.231 5.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 1 C5'-C4'-C3' 109.083 -4.278 . 0.038 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.906 3.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C5'-C4'-C3' 111.099 -2.934 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 O4'-C1'-N19 112.279 4.079 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 112.145 3.945 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.064 2.864 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.348 4.148 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.498 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 105.066 3.962 . 0.249 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.498 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 C4'-C3'-C2' 99.744 -2.956 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 0 C5'-C4'-C3' 111.455 -2.697 . 0.395 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 1 O5'-C5'-C4' 116.826 4.733 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 C5'-C4'-C3' 111.468 -2.688 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 1 O4'-C1'-N19 112.468 4.268 . 0.921 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C5'-C4'-O4' 112.297 2.212 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 110.826 2.626 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C5'-C4'-C3' 111.248 -2.834 . 0.245 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.853 3.653 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 112.063 3.863 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 O4'-C1'-N19 111.403 3.203 . 0.201 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 111.881 3.681 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 O4'-C1'-N19 112.056 3.856 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.443 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 C3'-C2'-C1' 104.194 2.993 . 0.254 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.443 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 99.272 -3.428 . 0.017 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 P-O3'-C3' 122.43 2.275 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . 0.541 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.267 1 C3'-C2'-C1' 105.256 4.174 . 0.454 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.541 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.581 1 O5'-C5'-C4' 121.511 8.079 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . 0.495 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.26 1 P-O3'-C3' 126.118 5.349 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O4'-C1'-N19 110.951 2.751 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 O4'-C1'-N19 112.777 4.577 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C4'-C3'-C2' 99.833 -2.867 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 110.716 2.516 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.0 ttp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.24 110.06 22.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.67 0.788 . . . . 0.0 109.534 -175.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -92.64 135.88 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -131.58 162.28 30.7 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.971 0.908 . . . . 0.0 110.169 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.8 m -126.18 100.81 6.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.67 139.45 52.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.363 1.065 . . . . 0.0 110.237 -167.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -106.78 161.09 14.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.008 0.367 . . . . 0.0 110.174 -169.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -49.55 125.26 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.926 0.49 . . . . 0.0 110.034 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.31 -7.12 80.8 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.375 0.988 . . . . 0.0 114.994 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -76.58 155.44 33.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.087 1.444 . . . . 0.0 111.645 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -128.78 147.19 50.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.627 0.771 . . . . 0.0 112.232 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 19.0 mm -124.66 156.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.647 1.979 . . . . 0.0 108.09 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -132.23 136.76 47.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.955 0.902 . . . . 0.0 110.247 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -132.68 130.69 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.187 0.995 . . . . 0.0 109.673 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.7 -130.68 36.99 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -126.65 2.31 6.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.664 0.785 . . . . 0.0 112.242 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -134.72 -13.53 2.22 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.2 135.78 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.074 0.852 . . . . 0.0 110.763 -173.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -130.07 141.51 50.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.414 1.086 . . . . 0.0 109.498 172.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -123.35 137.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.49 1.116 . . . . 0.0 108.771 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -129.64 143.38 50.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.906 0.882 . . . . 0.0 109.895 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -98.01 112.64 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 168.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.87 -23.12 39.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -169.14 36.74 Favored Glycine 0 C--N 1.338 0.658 0 C-N-CA 123.284 0.469 . . . . 0.0 113.259 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.53 155.9 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.66 0.784 . . . . 0.0 111.497 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -138.76 62.17 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.973 1.309 . . . . 0.0 109.575 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.26 -120.67 9.54 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -173.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.64 -4.87 51.13 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.457 0.703 . . . . 0.0 112.1 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.91 160.75 14.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.017 0.913 . . . . 0.0 112.344 169.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.59 126.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 126.38 1.872 . . . . 0.0 108.12 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -104.89 101.85 11.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.673 0.789 . . . . 0.0 110.371 -175.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 mt -107.63 139.39 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.816 1.646 . . . . 0.0 109.753 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.61 142.23 17.47 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 124.101 0.857 . . . . 0.0 111.441 169.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.51 138.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.224 1.41 . . . . 0.0 108.31 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -126.92 75.03 1.54 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.519 1.127 . . . . 0.0 109.242 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.85 44.47 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 125.151 1.38 . . . . 0.0 110.697 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.93 155.22 53.28 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.503 2.135 . . . . 0.0 110.525 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -68.58 -4.66 16.13 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.4 -23.11 63.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.934 0.894 . . . . 0.0 111.942 169.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -120.08 144.06 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.097 0.951 . . . . 0.0 111.849 174.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.76 143.08 38.28 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.406 1.082 . . . . 0.0 111.359 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.4 t -127.19 120.45 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.318 0.647 . . . . 0.0 109.549 170.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -149.27 -175.97 5.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.79 0.836 . . . . 0.0 110.69 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' HE ' ' HB3' ' A' ' 46' ' ' GLU . 0.0 OUTLIER -132.38 165.87 23.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.686 171.246 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -24.02 67.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -169.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.424 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 40.1 tt0 -64.01 -20.06 65.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.326 1.051 . . . . 0.0 112.377 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.86 -25.12 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.492 1.517 . . . . 0.0 110.847 -173.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -60.2 -31.28 70.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 120.415 -1.428 . . . . 0.0 110.049 179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.55 -9.87 59.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.732 0.813 . . . . 0.0 112.021 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.0 -26.47 21.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.138 0.975 . . . . 0.0 111.158 169.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.424 HG22 HE21 ' A' ' 52' ' ' GLN . 75.4 mt -69.65 -50.84 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.112 0.965 . . . . 0.0 109.191 173.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.424 HE21 HG22 ' A' ' 51' ' ' ILE . 40.4 mm-40 -84.09 5.18 27.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.0 74.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.9 0.48 . . . . 0.0 112.017 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.25 33.39 0.02 OUTLIER Glycine 0 CA--C 1.524 0.656 0 CA-C-O 120.016 -0.324 . . . . 0.0 112.999 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 51' ' ' ILE . 14.3 mt -116.99 -172.88 2.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.015 1.326 . . . . 0.0 108.239 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.3 p 56.56 20.58 5.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.301 1.44 . . . . 0.0 113.813 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.05 157.47 44.94 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 125.231 1.412 . . . . 0.0 111.061 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -74.31 174.21 12.9 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.092 2.528 . . . . 0.0 112.897 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 N--CA 1.454 -0.242 0 C-N-CA 124.807 1.243 . . . . 0.0 112.26 -176.567 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.678 -0.201 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -115.35 124.06 50.28 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.143 1.377 . . . . 0.0 107.298 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.29 140.56 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -165.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt -136.91 141.57 42.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.202 1.401 . . . . 0.0 110.841 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 m -120.23 104.8 10.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -129.8 163.26 26.63 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.939 0.896 . . . . 0.0 110.633 -170.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -97.37 170.21 9.22 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -64.74 134.13 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.743 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.37 -2.79 68.39 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.352 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -85.91 161.81 18.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.917 1.359 . . . . 0.0 111.906 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -129.44 146.92 51.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.415 0.686 . . . . 0.0 111.878 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 11.1 mt -130.44 153.78 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.729 1.612 . . . . 0.0 109.074 -172.259 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -136.18 141.47 44.06 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.639 -0.663 . . . . 0.0 112.218 -169.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -134.6 131.11 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.88 0.872 . . . . 0.0 109.931 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.05 -136.95 50.82 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.74 4.92 7.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.931 0.893 . . . . 0.0 112.602 173.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -115.64 -16.88 11.24 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.18 134.97 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 119.315 0.961 . . . . 0.0 111.368 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -132.78 151.0 52.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.863 1.265 . . . . 0.0 109.961 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.93 147.6 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.289 1.836 . . . . 0.0 108.043 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -138.54 125.99 21.85 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.914 0.485 . . . . 0.0 110.057 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.44 103.21 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -73.06 -31.24 64.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.195 -0.315 . . . . 0.0 110.674 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 168.99 20.63 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.63 146.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.542 0.687 . . . . 0.0 110.165 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -125.31 70.36 1.17 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.156 1.382 . . . . 0.0 107.411 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.04 -123.69 6.19 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.241 -171.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.41 8.23 41.35 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.102 0.561 . . . . 0.0 110.961 172.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -98.96 154.05 18.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 109.263 170.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.6 113.36 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.71 119.12 26.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.741 1.217 . . . . 0.0 109.524 -179.08 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.61 133.32 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.79 0.836 . . . . 0.0 110.047 -169.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.75 137.32 13.61 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.0 mt -117.28 132.66 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.816 0.817 . . . . 0.0 109.192 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -132.26 77.24 1.74 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.602 -167.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 156.84 63.03 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.404 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.93 156.09 30.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.768 1.646 . . . . 0.0 110.554 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.36 -0.67 3.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.32 0.648 . . . . 0.0 112.175 169.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.536 1.535 . . . . 0.0 111.512 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -114.49 144.09 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.455 1.102 . . . . 0.0 110.532 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.37 142.97 28.92 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.433 0.635 . . . . 0.0 111.499 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.38 99.7 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.295 -166.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.91 163.22 36.82 Favored 'General case' 0 CA--C 1.524 -0.048 0 C-N-CA 123.163 0.585 . . . . 0.0 112.14 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.427 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.4 ptm180 -71.51 158.34 36.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.012 0.525 . . . . 0.0 111.397 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -51.04 -41.84 60.11 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.859 0.864 . . . . 0.0 112.277 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -47.99 -48.66 32.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.835 0.454 . . . . 0.0 110.956 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mm -76.69 -47.53 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 125.058 1.343 . . . . 0.0 110.01 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.21 -38.03 50.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.464 1.106 . . . . 0.0 111.874 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.12 -25.58 65.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -82.17 -39.11 23.66 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.053 0.842 . . . . 0.0 110.587 172.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.6 -40.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -80.67 4.94 17.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.52 -9.98 59.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.45 0.7 . . . . 0.0 112.459 169.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.65 43.97 0.23 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.888 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.25 -175.53 2.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.689 0.744 . . . . 0.0 112.628 -167.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.1 p -130.84 177.77 7.17 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.221 1.408 . . . . 0.0 109.099 167.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.25 122.86 0.88 Allowed Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 124.678 1.191 . . . . 0.0 111.923 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.31 151.85 21.58 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.634 2.889 . . . . 0.0 113.376 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 CA--C 1.529 0.172 0 C-N-CA 124.284 1.033 . . . . 0.0 113.499 170.314 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' MET . . . . . 0.426 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.2 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.79 105.56 9.05 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 126.567 1.947 . . . . 0.0 106.119 164.757 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -82.68 137.63 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.431 1.092 . . . . 0.0 109.922 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -133.11 140.83 47.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.721 1.208 . . . . 0.0 110.186 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -103.07 128.4 49.97 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.835 0.454 . . . . 0.0 110.81 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 21.6 mmm180 -120.52 153.82 36.17 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.442 0.697 . . . . 0.0 110.39 174.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.504 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -90.39 162.04 15.3 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 167.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.8 139.45 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 O-C-N 120.909 -1.12 . . . . 0.0 111.754 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.5 89.39 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.753 1.168 . . . . 0.0 113.781 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -90.58 166.78 13.01 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.966 1.383 . . . . 0.0 112.006 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -128.63 162.89 26.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -169.409 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 12.1 mt -140.75 160.64 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 127.293 2.237 . . . . 0.0 108.221 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -131.04 147.36 52.62 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.718 1.207 . . . . 0.0 111.36 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.53 139.63 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.546 1.139 . . . . 0.0 108.999 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.37 -137.46 49.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.62 8.01 9.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.007 0.923 . . . . 0.0 111.58 170.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.97 -9.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.069 0.947 . . . . 0.0 112.952 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.28 138.07 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.366 0.666 . . . . 0.0 110.739 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -130.77 146.18 52.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.94 1.296 . . . . 0.0 109.372 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -127.07 143.98 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.249 1.419 . . . . 0.0 108.146 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -134.27 129.0 34.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.848 0.459 . . . . 0.0 109.92 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -84.83 112.25 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 169.118 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.73 -45.56 14.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.666 -0.647 . . . . 0.0 110.138 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.12 177.67 47.77 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.072 168.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -112.85 150.58 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.112 0.565 . . . . 0.0 110.846 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -146.22 108.64 4.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 169.399 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.93 -142.07 30.23 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.409 -169.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.55 0.41 50.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.25 1.02 . . . . 0.0 110.84 168.08 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.98 145.86 27.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.848 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 38.7 t -133.55 116.28 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -78.82 114.94 18.18 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mt -119.64 133.45 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.899 1.279 . . . . 0.0 109.08 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.3 142.12 15.42 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.543 1.068 . . . . 0.0 112.115 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -122.9 130.98 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.848 1.259 . . . . 0.0 108.641 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -126.37 97.69 5.15 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.434 0.694 . . . . 0.0 109.718 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.43 156.07 80.52 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.168 0.987 . . . . 0.0 110.324 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.86 151.91 83.09 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.76 2.306 . . . . 0.0 110.946 170.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.96 -0.89 3.44 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.219 0.608 . . . . 0.0 112.578 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.91 -22.08 66.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.352 1.061 . . . . 0.0 111.211 168.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -126.38 152.9 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.366 1.066 . . . . 0.0 110.714 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.63 155.43 19.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.831 0.453 . . . . 0.0 111.679 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.56 133.06 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.239 0.616 . . . . 0.0 109.798 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -154.23 167.59 29.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.538 0.735 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 83.8 mtm-85 -75.79 159.87 30.58 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 166.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.19 -32.85 71.48 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 118.299 0.499 . . . . 0.0 111.527 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -57.97 -47.68 82.23 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.973 0.909 . . . . 0.0 111.787 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.66 -30.99 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.36 0.664 . . . . 0.0 110.74 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -53.44 -36.91 62.07 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.293 1.037 . . . . 0.0 111.892 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.97 -25.87 67.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.573 0.749 . . . . 0.0 112.585 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -73.19 -39.4 65.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.347 0.659 . . . . 0.0 111.726 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp -67.42 -22.05 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 O-C-N 121.995 -0.441 . . . . 0.0 109.834 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -94.75 2.1 55.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.8 1.24 . . . . 0.0 113.086 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.42 4.07 1.5 Allowed 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -172.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.0 27.55 6.23 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.007 0.813 . . . . 0.0 112.517 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.97 -17.68 65.03 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.466 0.707 . . . . 0.0 112.307 -177.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 41.2 p -78.71 -15.58 58.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.3 1.04 . . . . 0.0 112.627 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.81 79.36 13.5 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.972 0.909 . . . . 0.0 110.707 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -65.01 174.99 4.16 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.318 2.679 . . . . 0.0 113.316 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.455 -0.197 0 C-N-CA 124.117 0.967 . . . . 0.0 112.718 178.854 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.2 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.9 109.49 15.17 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.722 1.609 . . . . 0.0 109.232 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -102.64 143.27 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 125.578 1.551 . . . . 0.0 110.358 -174.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 94.1 mt -140.92 166.05 25.84 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 125.485 1.514 . . . . 0.0 111.419 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.83 112.34 23.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.78 0.832 . . . . 0.0 109.118 166.045 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.93 144.5 36.79 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.237 0.615 . . . . 0.0 111.12 169.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -86.06 161.4 18.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.227 0.611 . . . . 0.0 109.8 168.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 22.7 m -51.81 138.41 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 168.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.55 -0.05 86.62 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.191 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -99.25 171.7 7.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.581 1.19 . . . . 0.0 111.885 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -136.43 158.76 43.66 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mm -141.07 155.28 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 128.075 2.55 . . . . 0.0 108.096 -172.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -133.33 150.16 51.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.312 -0.868 . . . . 0.0 112.319 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.95 139.79 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.769 1.228 . . . . 0.0 109.163 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.76 -135.62 51.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -128.77 10.04 5.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 112.6 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -131.94 -6.9 3.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -115.28 136.4 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.203 0.91 . . . . 0.0 111.02 -171.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 37.0 m -128.4 147.06 50.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.76 1.224 . . . . 0.0 109.846 175.215 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.04 140.66 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.376 1.471 . . . . 0.0 108.228 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 52.0 m -137.21 127.52 26.42 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.241 0.616 . . . . 0.0 109.514 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.07 107.41 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 mt -79.82 -30.38 40.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.842 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.72 -175.95 43.72 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 120.988 0.215 . . . . 0.0 113.203 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 p -132.21 132.77 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.619 1.167 . . . . 0.0 110.064 -177.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -135.36 90.3 2.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.936 1.294 . . . . 0.0 108.988 -173.292 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.47 -119.74 9.56 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.587 -0.696 . . . . 0.0 111.559 -172.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.504 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.5 mp0 -93.2 -11.07 33.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.866 0.866 . . . . 0.0 110.575 174.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -77.52 149.29 34.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.442 0.639 . . . . 0.0 111.407 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.0 120.01 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 107.055 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.83 109.19 21.2 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.07 0.948 . . . . 0.0 108.823 -173.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.1 127.15 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.633 0.773 . . . . 0.0 109.938 -169.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.26 137.66 13.49 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 124.169 0.89 . . . . 0.0 110.988 173.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' C' ' 1' ' ' MET . 5.2 mp -122.57 141.99 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.792 0.837 . . . . 0.0 109.06 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.06 102.98 4.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.637 0.775 . . . . 0.0 109.283 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.7 156.81 72.81 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.582 1.153 . . . . 0.0 109.304 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.72 151.66 82.57 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.235 1.956 . . . . 0.0 110.828 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -70.27 -1.07 9.28 Favored 'General case' 0 CA--C 1.526 0.029 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -20.9 65.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.872 1.269 . . . . 0.0 111.518 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -126.41 160.06 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.391 1.076 . . . . 0.0 110.854 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.34 157.1 16.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -149.78 122.66 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.116 0.566 . . . . 0.0 109.89 167.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -149.41 162.61 39.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.628 0.771 . . . . 0.0 111.03 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -60.54 155.37 18.73 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 122.921 0.488 . . . . 0.0 109.72 169.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -64.28 -26.27 68.41 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.796 0.725 . . . . 0.0 111.879 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.03 -18.65 59.17 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -98.62 -33.54 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.879 1.272 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.55 -44.11 72.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.94 0.896 . . . . 0.0 110.391 172.063 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -65.82 -23.94 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -74.84 -42.18 58.46 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.699 0.681 . . . . 0.0 110.628 171.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.436 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 68.7 mt -68.58 -29.21 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.71 2.02 47.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.135 0.974 . . . . 0.0 110.894 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -86.91 1.99 50.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.089 1.356 . . . . 0.0 112.864 174.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.75 48.06 0.93 Allowed Glycine 0 CA--C 1.525 0.698 0 CA-C-N 118.467 0.576 . . . . 0.0 113.329 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.436 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.0 pp -161.61 174.72 12.94 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.425 1.09 . . . . 0.0 111.447 -173.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 36.3 m -107.23 -43.68 4.53 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.154 0.582 . . . . 0.0 111.188 168.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . 0.584 ' H ' ' CD ' ' D' ' 58' ' ' PRO . . . -163.42 -26.59 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 126.144 1.778 . . . . 0.0 112.572 169.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . 0.584 ' CD ' ' H ' ' D' ' 57' ' ' ALA . 32.7 Cg_exo -72.91 -171.11 0.71 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.552 2.168 . . . . 0.0 112.309 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 N--CA 1.452 -0.339 0 C-N-CA 123.822 0.849 . . . . 0.0 112.61 178.305 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.93 136.0 51.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.364 1.865 . . . . 0.0 108.315 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 mm -113.8 137.95 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.25 1.02 . . . . 0.0 109.084 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 tp -154.37 140.88 18.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.126 0.57 . . . . 0.0 110.544 -168.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 138.15 51.07 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.599 0.76 . . . . 0.0 110.031 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -142.62 124.31 15.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.155 0.982 . . . . 0.0 109.633 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -90.26 165.1 14.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.891 1.223 . . . . 0.0 112.063 171.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -59.14 138.21 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.15 -169.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.06 -3.87 84.59 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 123.94 0.781 . . . . 0.0 114.391 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -94.28 176.61 6.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.624 1.212 . . . . 0.0 111.068 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.9 m -141.08 158.9 43.29 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -137.82 155.95 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 126.949 2.1 . . . . 0.0 108.583 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -133.25 151.18 51.91 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.331 -0.855 . . . . 0.0 112.828 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -137.16 143.75 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.666 1.186 . . . . 0.0 109.142 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -138.13 49.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.16 9.98 8.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.905 0.882 . . . . 0.0 111.821 172.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -141.0 -1.06 1.42 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.6 136.01 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.975 0.807 . . . . 0.0 110.904 -174.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -129.15 145.52 51.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.52 1.128 . . . . 0.0 110.17 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -126.19 138.08 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.721 1.608 . . . . 0.0 108.179 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.3 m -134.51 130.06 36.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.947 0.499 . . . . 0.0 110.072 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -82.91 106.69 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.21 -28.67 60.06 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.043 0.537 . . . . 0.0 110.92 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 -172.32 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.75 0.69 . . . . 0.0 113.399 169.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.33 157.25 27.04 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 123.625 0.77 . . . . 0.0 111.926 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -146.62 92.02 2.1 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.735 1.214 . . . . 0.0 109.451 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -116.17 5.09 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 121.56 -0.712 . . . . 0.0 111.566 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -86.35 -13.08 47.53 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.764 0.782 . . . . 0.0 110.811 169.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.1 154.3 29.48 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.624 0.726 . . . . 0.0 110.81 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -146.58 104.56 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 126.899 2.079 . . . . 0.0 105.389 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -86.22 123.44 31.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.38 137.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 C-N-CA 123.191 0.596 . . . . 0.0 111.207 -168.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.91 144.59 16.08 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.565 1.078 . . . . 0.0 111.841 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.73 131.14 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.359 1.464 . . . . 0.0 108.79 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -132.78 100.2 4.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -172.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.3 155.82 75.56 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.794 1.238 . . . . 0.0 110.267 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.18 158.13 31.85 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.59 2.193 . . . . 0.0 111.669 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -69.17 -0.98 6.72 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.435 0.694 . . . . 0.0 112.572 169.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.93 -23.35 67.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.194 1.397 . . . . 0.0 111.988 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.3 157.85 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 110.986 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.72 156.69 16.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.976 0.51 . . . . 0.0 111.876 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.09 125.76 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.151 0.581 . . . . 0.0 110.826 171.093 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -152.13 171.09 18.44 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.401 1.081 . . . . 0.0 110.925 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -68.15 159.64 30.63 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.743 -0.598 . . . . 0.0 109.473 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.51 -25.22 65.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.277 0.231 . . . . 0.0 111.435 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -66.04 -51.64 56.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.993 0.917 . . . . 0.0 111.469 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.68 -30.88 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 109.778 -175.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -56.18 -35.29 67.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.587 0.755 . . . . 0.0 112.531 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.18 -25.68 63.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.734 -0.604 . . . . 0.0 112.265 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.07 -24.02 60.62 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.094 0.557 . . . . 0.0 110.209 175.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 83.5 mt -99.07 -27.88 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.321 1.448 . . . . 0.0 112.112 -173.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -85.02 3.04 40.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.84 -1.56 7.47 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 171.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . 0.409 ' N ' HD11 ' E' ' 55' ' ' LEU . . . 82.85 97.35 0.53 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.221 1.391 . . . . 0.0 115.567 -171.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.451 ' C ' ' CD2' ' E' ' 55' ' ' LEU . 0.0 OUTLIER -172.01 -1.94 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.28 1.032 . . . . 0.0 113.386 -169.206 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 17.1 p -64.78 -11.47 37.01 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.235 1.014 . . . . 0.0 113.467 -163.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.56 83.64 13.93 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.715 1.206 . . . . 0.0 107.889 166.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.83 -41.09 77.44 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.658 2.906 . . . . 0.0 113.336 -171.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.452 -0.327 0 C-N-CA 123.69 0.796 . . . . 0.0 111.706 -168.53 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.484 0.183 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -97.29 148.89 22.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.073 0.549 . . . . 0.0 111.337 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.07 136.46 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.948 0.899 . . . . 0.0 108.905 171.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt -132.91 159.57 39.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.714 1.206 . . . . 0.0 109.846 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -128.59 98.03 4.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.299 169.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 ttp180 -105.01 162.18 13.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.079 1.752 . . . . 0.0 110.968 -177.577 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -122.92 173.41 7.81 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -53.17 134.79 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.883 -172.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.58 73.73 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.287 0.946 . . . . 0.0 114.889 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.39 172.62 9.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.458 1.629 . . . . 0.0 112.864 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.98 155.02 48.34 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.495 -0.753 . . . . 0.0 112.82 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.5 mm -128.11 157.26 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.857 2.063 . . . . 0.0 108.236 176.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -128.45 150.4 50.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.37 0.668 . . . . 0.0 112.125 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 mt -134.6 143.8 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.66 1.184 . . . . 0.0 108.963 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.26 -134.93 51.92 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -125.56 10.03 7.82 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.049 0.939 . . . . 0.0 111.61 174.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -141.58 -11.94 0.9 Allowed 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.98 136.69 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 119.133 0.879 . . . . 0.0 110.502 -173.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -129.33 144.07 51.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.374 1.069 . . . . 0.0 110.39 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -124.9 142.25 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.497 1.519 . . . . 0.0 108.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 58.7 m -139.48 141.14 37.38 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.642 0.777 . . . . 0.0 110.373 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -99.1 108.91 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.46 -32.75 48.55 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.897 0.479 . . . . 0.0 110.399 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.19 -177.7 35.64 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.173 0.416 . . . . 0.0 113.104 169.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.81 153.93 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.303 0.641 . . . . 0.0 111.782 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -141.57 89.94 2.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.919 1.288 . . . . 0.0 109.247 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.63 -103.98 1.29 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.947 -0.471 . . . . 0.0 111.938 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -98.9 -21.98 16.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.518 0.659 . . . . 0.0 112.037 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.8 147.24 47.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.54 0.686 . . . . 0.0 110.222 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -135.91 114.59 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -89.39 123.67 33.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -128.5 141.75 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.677 1.191 . . . . 0.0 109.877 -167.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.69 138.54 14.77 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 170.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -127.0 138.53 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.017 0.927 . . . . 0.0 109.541 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -136.3 102.19 4.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.669 0.788 . . . . 0.0 109.759 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.48 158.36 70.01 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.276 1.031 . . . . 0.0 111.458 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.87 162.68 31.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.934 2.422 . . . . 0.0 112.389 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.37 -4.66 27.42 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.557 0.743 . . . . 0.0 112.694 172.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.48 -17.55 62.97 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.754 1.222 . . . . 0.0 112.482 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -129.69 167.91 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.018 0.927 . . . . 0.0 111.257 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.2 163.74 12.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.811 0.844 . . . . 0.0 111.396 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.1 125.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.395 173.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -152.89 177.54 10.64 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.906 0.882 . . . . 0.0 110.596 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -76.99 166.32 23.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.814 -0.554 . . . . 0.0 109.808 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -59.56 -29.3 67.83 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -61.18 -54.03 49.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.347 0.659 . . . . 0.0 110.835 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.93 -31.12 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 122.947 0.499 . . . . 0.0 110.405 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -50.33 -35.24 26.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.198 0.999 . . . . 0.0 113.034 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -60.24 -21.97 62.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.978 0.911 . . . . 0.0 112.395 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -75.64 -45.77 35.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.505 0.722 . . . . 0.0 109.502 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.0 mp -66.62 -22.95 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.674 1.189 . . . . 0.0 110.228 -178.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -85.32 -37.78 19.56 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 168.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.28 -27.25 11.64 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 -167.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.59 -19.57 0.65 Allowed Glycine 0 CA--C 1.526 0.757 0 CA-C-N 118.989 0.813 . . . . 0.0 113.344 -169.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.3 -177.15 0.12 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.638 2.375 . . . . 0.0 113.077 169.774 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -94.98 -22.66 17.8 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -173.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . 0.592 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -160.93 -31.28 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.586 1.554 . . . . 0.0 112.579 -178.671 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . 0.592 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 34.2 Cg_exo -72.6 179.21 5.39 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 121.754 1.636 . . . . 0.0 114.229 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 124.607 1.163 . . . . 0.0 112.122 -169.538 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.916 3.716 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 O4'-C1'-N19 111.414 3.214 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 O4'-C1'-N19 112.93 4.73 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.774 4.574 . 0.069 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 111.441 3.241 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 C5'-C4'-C3' 108.05 -4.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 O4'-C1'-N19 112.166 3.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C3'-C2'-C1' 104.027 2.808 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O5'-C5'-C4' 113.654 2.467 . 0.012 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 0 C3'-C2'-C1' 104.874 3.749 . 0.198 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 112.217 4.017 . 0.01 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 O4'-C4'-C3' 108.725 2.303 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 110.61 -3.26 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C4'-C3'-C2' 100.5 -2.2 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 O4'-C1'-N19 111.697 3.497 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 N19-C1'-C2' 107.942 -3.411 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 111.246 3.046 . 0.91 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.346 -2.354 . 0.653 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 110.914 2.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.855 3.655 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 1 O4'-C1'-N19 112.488 4.288 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 O4'-C1'-N19 110.938 2.738 . 0.07 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 1 O4'-C1'-N19 113.153 4.953 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 112.19 3.99 . 0.616 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 C5'-C4'-C3' 111.014 -2.991 . 0.647 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 O5'-C5'-C4' 113.71 2.507 . 0.11 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.324 0 C5'-C4'-C3' 111.676 -2.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 0 C5'-C4'-C3' 112.145 -2.237 . 0.045 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C5'-C4'-C3' 111.234 -2.844 OUTLIER-DELTA 0.016 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.54 3.34 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.013 -2.687 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 O4'-C1'-N19 111.232 3.032 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 112.125 3.925 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 99.261 -3.439 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C4'-C3'-C2' 99.447 -3.253 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.465 3.265 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C4'-C3'-C2' 100.562 -2.138 . 0.038 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.333 3.133 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.402 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 C3'-C2'-C1' 104.202 3.002 . 0.215 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.402 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 113.43 5.23 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.351 1 C5'-C4'-C3' 109.233 -4.178 . 0.056 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 2 O4'-C1'-N19 114.258 6.058 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 1 O4'-C1'-N19 114.785 6.585 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.708 4.508 . 0.176 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 1 O4'-C1'-N19 112.45 4.25 . 0.483 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C4'-C3'-C2' 99.77 -2.93 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 112.191 3.991 . 0.42 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.477 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.098 2.898 . 0.457 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.477 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C4'-C3'-C2' 99.336 -3.364 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.254 3.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 C5'-C4'-C3' 111.459 -2.694 . 0.443 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 2 O5'-C5'-C4' 119.631 6.737 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 100.372 -2.328 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 1 O4'-C1'-N19 112.498 4.298 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 100.183 -2.517 . 0.477 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.041 2.841 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 0 C3'-C2'-C1' 104.987 3.875 . 0.544 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 111.757 3.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 O4'-C1'-N19 112.223 4.023 . 0.145 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 O4'-C1'-N19 111.868 3.668 . 0.129 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 O4'-C1'-N19 111.896 3.696 . 0.347 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 O4'-C1'-N19 111.628 3.428 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.418 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C5'-C4'-C3' 110.136 -3.576 . 0.582 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.418 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 99.502 -3.198 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 110.911 2.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 0 C5'-C4'-C3' 110.761 -3.159 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.324 2 C5'-C4'-C3' 105.737 -6.508 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 1 P-O3'-C3' 125.819 5.099 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 110.771 2.571 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 1 O4'-C1'-N19 112.536 4.336 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C4'-C3'-C2' 99.732 -2.968 . 0.268 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.131 2.931 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tmm? . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 113.98 27.84 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.707 0.685 . . . . 0.0 109.79 -174.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.45 140.07 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.224 1.01 . . . . 0.0 110.522 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.0 mt -133.48 160.75 36.48 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.333 1.053 . . . . 0.0 109.862 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -127.99 100.86 6.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -127.06 142.76 51.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.824 -0.548 . . . . 0.0 110.788 -169.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -96.48 162.48 13.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.584 1.154 . . . . 0.0 110.25 -168.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.9 m -62.32 129.3 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 119.85 -0.74 . . . . 0.0 112.086 -169.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.9 57.02 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.412 1.005 . . . . 0.0 114.174 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -90.25 164.15 14.5 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.847 1.323 . . . . 0.0 111.942 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -133.71 147.71 51.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -169.322 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.456 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.8 mm -114.19 154.69 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 125.442 1.497 . . . . 0.0 109.956 174.396 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -127.39 136.66 52.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.1 0.96 . . . . 0.0 110.643 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mt -131.85 130.55 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.511 1.125 . . . . 0.0 109.427 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.43 -129.5 25.56 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -130.0 3.56 4.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.861 0.864 . . . . 0.0 112.431 172.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -135.15 -13.35 2.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -169.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.42 138.97 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.935 0.789 . . . . 0.0 110.416 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -136.31 146.82 47.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.655 0.782 . . . . 0.0 109.049 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -125.54 141.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.626 1.171 . . . . 0.0 107.954 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -136.12 125.98 25.76 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.0 105.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.011 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -33.62 64.85 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -169.494 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -170.97 38.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 165.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.5 m -91.23 160.37 2.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 C-N-CA 124.4 1.08 . . . . 0.0 111.973 -172.329 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -151.08 60.95 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.007 0.923 . . . . 0.0 110.623 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.64 -132.98 12.45 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -86.42 19.91 2.62 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.839 0.855 . . . . 0.0 111.901 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -129.15 153.0 48.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.006 1.322 . . . . 0.0 110.928 171.087 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.83 134.6 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.866 1.666 . . . . 0.0 109.9 -167.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -98.45 101.92 13.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.727 0.811 . . . . 0.0 110.027 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -107.07 134.33 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.279 1.431 . . . . 0.0 109.281 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.0 139.74 15.69 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.039 0.828 . . . . 0.0 111.749 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.47 138.83 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.17 1.388 . . . . 0.0 108.747 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -126.31 74.96 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.758 1.223 . . . . 0.0 109.65 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.72 153.52 45.92 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.991 175.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -75.51 155.84 40.66 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.816 2.344 . . . . 0.0 110.633 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.41 -4.08 13.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -68.72 -25.57 64.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.961 0.905 . . . . 0.0 112.003 169.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -117.15 144.07 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.805 0.812 . . . . 0.0 111.653 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.33 143.09 32.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.75 0.82 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.54 127.99 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.708 0.403 . . . . 0.0 110.205 171.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -151.66 -175.99 5.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 110.011 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.422 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.44 168.07 15.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 170.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.32 -41.87 66.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.879 1.272 . . . . 0.0 112.338 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.89 -25.05 56.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.368 1.467 . . . . 0.0 112.989 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.32 -23.32 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.064 1.345 . . . . 0.0 111.086 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -62.57 -32.43 73.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.394 0.678 . . . . 0.0 110.378 -175.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -75.43 -10.59 59.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.19 0.596 . . . . 0.0 112.134 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.76 -34.21 30.55 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.205 1.002 . . . . 0.0 110.475 169.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.1 -53.96 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.933 0.893 . . . . 0.0 108.633 172.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -84.16 5.14 27.4 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.9 0.88 . . . . 0.0 112.461 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.73 -31.3 68.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.721 0.408 . . . . 0.0 111.02 168.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.51 17.55 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 CA-C-O 118.994 -0.892 . . . . 0.0 113.481 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.8 mt -94.24 90.69 6.42 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.933 1.367 . . . . 0.0 108.109 -177.401 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p 162.68 174.53 0.02 OUTLIER 'General case' 0 C--O 1.23 0.073 0 C-N-CA 127.486 2.314 . . . . 0.0 108.347 -169.534 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.94 153.79 48.27 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 123.645 0.778 . . . . 0.0 109.765 167.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -72.31 120.47 6.79 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.187 1.925 . . . . 0.0 109.69 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 N--CA 1.451 -0.424 0 C-N-CA 124.188 0.995 . . . . 0.0 111.783 174.185 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.428 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 32.7 tpp . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.81 -0.138 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.26 121.57 43.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -118.19 139.83 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.053 0.541 . . . . 0.0 112.077 -165.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -135.63 143.3 45.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.278 1.431 . . . . 0.0 110.716 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -120.13 102.44 8.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -130.77 151.89 50.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 123.92 0.888 . . . . 0.0 112.065 -168.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -77.3 160.07 29.11 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.646 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.13 137.09 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.04 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.09 -5.65 68.6 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.058 -0.856 . . . . 0.0 114.601 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -86.2 160.66 19.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 119.034 1.417 . . . . 0.0 112.211 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.8 m -124.87 146.43 49.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.222 1.009 . . . . 0.0 111.326 -173.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 7.4 mt -135.75 151.79 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.127 1.371 . . . . 0.0 109.157 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -135.96 143.55 44.94 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -134.91 129.73 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.414 1.085 . . . . 0.0 109.747 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.02 -136.31 51.0 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -175.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -121.35 -0.26 9.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.714 0.806 . . . . 0.0 112.348 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.78 -18.41 10.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.584 0.754 . . . . 0.0 112.973 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 133.12 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.816 0.735 . . . . 0.0 110.77 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.7 m -128.87 148.09 50.87 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.249 1.02 . . . . 0.0 109.792 169.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -126.42 146.22 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 126.027 1.731 . . . . 0.0 107.818 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -136.74 129.32 30.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.77 99.69 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 170.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -68.7 -33.08 73.33 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.048 -0.408 . . . . 0.0 110.626 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.36 -176.67 37.01 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 172.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.06 145.04 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 110.192 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -116.63 73.49 0.86 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 170.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.52 -117.92 4.9 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.649 -172.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 9.58 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.111 -0.64 . . . . 0.0 111.182 174.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.9 155.63 17.3 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.294 1.038 . . . . 0.0 109.608 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 t -134.03 117.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.57 115.7 22.75 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.868 1.267 . . . . 0.0 109.388 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.95 129.85 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.212 1.005 . . . . 0.0 109.692 -171.187 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.04 140.9 15.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -124.99 130.59 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 121.957 0.884 . . . . 0.0 109.207 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.94 74.95 1.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.264 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.57 157.53 51.59 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.255 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' B' ' 39' ' ' ASP . 21.4 Cg_endo -60.2 154.89 48.89 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.46 1.44 . . . . 0.0 110.186 168.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.421 ' HE2' " O2'" ' G' ' 28' ' ' ' G' . 12.4 mttt -69.3 -0.7 6.59 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.795 1.238 . . . . 0.0 113.01 170.621 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.416 ' H ' ' C ' ' B' ' 37' ' ' PRO . 1.6 t70 -65.83 -24.84 66.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.702 1.601 . . . . 0.0 111.131 169.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -112.29 144.15 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.584 1.154 . . . . 0.0 110.145 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.422 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -85.39 143.01 28.88 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.498 0.666 . . . . 0.0 111.381 170.005 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.427 HG21 ' H1 ' ' G' ' 28' ' ' ' G' . 12.2 t -142.81 98.69 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.198 -166.597 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.475 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -143.89 162.29 36.5 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.83 0.852 . . . . 0.0 111.161 176.459 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.456 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.4 ptt-85 -68.34 155.84 38.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.046 0.539 . . . . 0.0 111.267 169.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.71 -41.55 73.98 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 123.292 0.637 . . . . 0.0 112.642 -171.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.19 -24.07 66.05 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.65 -50.18 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.023 0.929 . . . . 0.0 110.732 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -51.1 -35.66 36.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.448 1.099 . . . . 0.0 111.909 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.97 -21.25 62.34 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -79.67 -39.79 30.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 119.509 1.05 . . . . 0.0 110.23 169.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.14 -40.54 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -175.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.2 mm-40 -80.35 4.98 16.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.91 -19.52 44.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.046 0.539 . . . . 0.0 111.566 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.91 46.68 0.08 OUTLIER Glycine 0 C--N 1.338 0.668 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.37 169.025 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.04 -176.07 2.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.944 0.872 . . . . 0.0 112.812 -168.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 32.1 p -126.33 -179.58 4.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.429 1.492 . . . . 0.0 109.462 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.79 120.01 1.7 Allowed Pre-proline 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.399 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -66.71 172.04 10.02 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.963 1.775 . . . . 0.0 114.674 -169.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-N 114.327 -1.306 . . . . 0.0 112.417 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.094 -0.479 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.69 107.82 17.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 168.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -80.74 133.25 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.511 0.724 . . . . 0.0 109.526 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.46 135.02 48.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.013 0.925 . . . . 0.0 109.143 168.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -91.5 153.07 20.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.404 ' HD3' HG13 ' C' ' 12' ' ' ILE . 15.1 ttp180 -146.03 143.63 29.55 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.498 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 5.0 tptm -99.81 148.41 24.45 Favored 'General case' 0 C--N 1.334 -0.071 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.19 133.09 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.921 0.782 . . . . 0.0 112.149 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 -10.21 65.91 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 125.313 1.435 . . . . 0.0 114.68 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -90.08 -179.63 5.72 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.595 1.698 . . . . 0.0 112.589 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.39 160.84 39.81 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -167.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.404 HG13 ' HD3' ' C' ' 6' ' ' ARG . 78.3 mt -134.92 157.11 40.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 C-N-CA 127.051 2.14 . . . . 0.0 109.148 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -123.42 146.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.583 1.153 . . . . 0.0 111.759 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -132.61 137.85 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.505 1.122 . . . . 0.0 108.864 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -136.15 50.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -123.66 8.6 8.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.157 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -128.76 -9.11 5.0 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.116 0.966 . . . . 0.0 113.381 -169.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.05 136.62 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.596 0.635 . . . . 0.0 110.512 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -128.96 141.48 51.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.536 1.134 . . . . 0.0 109.596 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -125.24 140.85 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.929 1.292 . . . . 0.0 108.344 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -131.77 135.31 46.69 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.64 0.655 . . . . 0.0 111.016 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -84.7 104.38 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 168.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.03 -37.75 46.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.64 -172.45 41.84 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 167.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.35 162.08 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.211 0.529 . . . . 0.0 111.268 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.2 71.06 1.34 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.998 1.319 . . . . 0.0 108.729 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -109.0 2.66 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -168.56 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -96.33 -8.39 32.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.182 0.993 . . . . 0.0 112.176 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -75.88 158.58 31.91 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.83 0.824 . . . . 0.0 112.199 172.045 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -137.83 108.9 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 126.198 1.799 . . . . 0.0 106.59 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -77.48 113.06 14.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.61 128.89 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.674 1.19 . . . . 0.0 109.841 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.71 139.19 15.27 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 125.031 1.301 . . . . 0.0 110.893 169.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.5 mt -128.82 131.28 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -132.47 95.38 3.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.94 154.55 68.57 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.846 0.858 . . . . 0.0 110.425 -176.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.38 154.36 68.77 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.95 2.433 . . . . 0.0 111.352 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.63 -1.01 3.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.321 0.649 . . . . 0.0 112.604 171.366 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.89 -22.84 66.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.217 1.007 . . . . 0.0 111.346 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.84 148.81 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.137 0.975 . . . . 0.0 110.653 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 154.55 21.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.716 0.406 . . . . 0.0 111.188 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.63 129.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.169 0.588 . . . . 0.0 109.553 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -155.04 156.0 35.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 118.299 0.499 . . . . 0.0 112.006 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -75.76 161.64 28.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 166.515 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -33.14 71.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.15 -45.12 87.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.626 0.77 . . . . 0.0 111.632 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -88.54 -30.62 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.306 0.642 . . . . 0.0 110.64 -172.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.0 -38.14 55.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.722 0.809 . . . . 0.0 112.252 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.95 -30.82 68.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.764 0.826 . . . . 0.0 112.511 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -70.15 -35.66 74.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.301 0.64 . . . . 0.0 111.73 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.29 -19.9 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 O-C-N 121.844 -0.535 . . . . 0.0 110.046 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -93.19 2.07 56.82 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.808 0.843 . . . . 0.0 112.632 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.64 -2.63 50.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.724 0.81 . . . . 0.0 113.029 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.0 104.87 2.4 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 124.303 0.954 . . . . 0.0 111.393 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 72.7 mt -132.54 -179.83 5.69 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.557 1.143 . . . . 0.0 110.879 -175.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m 67.92 134.27 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 126.429 1.892 . . . . 0.0 112.048 -172.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 47.28 73.48 0.99 Allowed Pre-proline 0 N--CA 1.454 -0.243 0 C-N-CA 125.039 1.335 . . . . 0.0 112.422 -169.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.49 172.42 4.44 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.344 2.696 . . . . 0.0 113.498 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 123.982 0.913 . . . . 0.0 112.916 179.567 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mmm . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.856 -0.053 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -125.37 111.4 15.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.705 1.202 . . . . 0.0 108.346 168.209 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.71 139.0 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.786 1.234 . . . . 0.0 109.62 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.76 159.88 38.73 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.635 . . . . 0.0 112.034 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -94.61 138.48 32.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.138 0.575 . . . . 0.0 111.358 173.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.94 145.04 51.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.467 1.107 . . . . 0.0 108.688 167.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -94.77 163.44 13.35 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 118.25 0.477 . . . . 0.0 111.343 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -49.22 138.76 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 177.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.43 -1.79 84.43 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.097 0.856 . . . . 0.0 114.002 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -99.93 172.42 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.536 1.168 . . . . 0.0 112.472 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -132.0 158.34 41.76 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -169.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . 0.421 HG23 ' H ' ' D' ' 13' ' ' ASN . 3.5 mt -143.9 164.45 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 126.909 2.084 . . . . 0.0 108.51 -177.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . 0.421 ' H ' HG23 ' D' ' 12' ' ' ILE . 26.3 m120 -143.59 146.01 32.96 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.105 0.962 . . . . 0.0 111.78 -171.68 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.11 136.9 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.865 1.266 . . . . 0.0 109.158 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.2 -136.37 51.01 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -123.46 7.04 8.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.981 0.912 . . . . 0.0 111.821 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -131.15 -10.96 3.72 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.08 136.1 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.836 0.744 . . . . 0.0 110.503 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -131.14 143.8 50.91 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.422 1.089 . . . . 0.0 109.842 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -123.45 143.09 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.816 1.246 . . . . 0.0 108.354 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -133.07 129.13 37.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.536 0.735 . . . . 0.0 109.19 176.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.77 102.99 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.0 -33.07 61.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.231 0.613 . . . . 0.0 110.549 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.62 179.31 43.32 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-O 121.115 0.286 . . . . 0.0 113.171 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.2 p -121.95 133.1 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.639 1.176 . . . . 0.0 109.597 178.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -132.63 72.64 1.5 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.711 1.204 . . . . 0.0 109.523 -169.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -117.96 4.55 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.498 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -93.14 -8.72 41.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.415 0.686 . . . . 0.0 110.563 171.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -74.04 151.73 40.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.785 0.803 . . . . 0.0 111.445 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -132.88 117.32 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -92.55 111.28 22.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.096 0.958 . . . . 0.0 108.703 -175.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -119.54 123.48 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.52 0.728 . . . . 0.0 110.411 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.98 132.62 11.31 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 170.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -120.48 140.03 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -138.09 100.84 4.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -174.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.71 154.41 81.46 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.236 1.014 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.34 149.97 82.98 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.011 1.807 . . . . 0.0 110.67 170.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -67.8 -2.87 7.92 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.202 0.601 . . . . 0.0 112.346 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 -21.59 66.43 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.855 1.262 . . . . 0.0 111.649 169.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.18 156.95 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.135 0.974 . . . . 0.0 110.622 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.34 156.96 16.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.923 0.489 . . . . 0.0 111.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.48 126.87 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 O-C-N 122.042 -0.411 . . . . 0.0 109.921 168.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -148.77 159.21 44.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 111.194 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -64.64 152.6 41.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.707 0.403 . . . . 0.0 110.046 169.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.37 -36.04 75.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.959 0.799 . . . . 0.0 112.316 -171.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.48 -28.67 67.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.95 -39.94 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.756 0.822 . . . . 0.0 110.456 174.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.81 -38.75 61.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.7 1.2 . . . . 0.0 111.817 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.12 -23.29 66.46 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.974 0.909 . . . . 0.0 113.018 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.75 -39.48 70.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.688 0.676 . . . . 0.0 110.63 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.436 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 1.4 mp -73.01 -18.86 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.917 1.687 . . . . 0.0 109.658 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -91.22 -3.71 56.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.49 -0.757 . . . . 0.0 112.899 171.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.96 -47.32 3.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.158 0.983 . . . . 0.0 112.805 -173.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -174.21 -3.31 0.03 OUTLIER Glycine 0 CA--C 1.525 0.679 0 CA-C-O 118.946 -0.919 . . . . 0.0 114.663 179.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.403 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 68.89 163.31 0.23 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.276 1.83 . . . . 0.0 112.411 167.322 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . 0.254 0.5 OUTLIER -145.58 -19.22 0.47 Allowed 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 164.776 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.06 131.75 21.46 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 122.812 0.445 . . . . 0.0 110.647 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -66.54 177.58 3.24 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.925 2.417 . . . . 0.0 113.69 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 N--CA 1.455 -0.199 0 C-N-CA 124.398 1.079 . . . . 0.0 112.37 174.521 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.05 147.62 32.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.777 0.431 . . . . 0.0 111.368 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.84 117.58 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 170.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.98 160.44 18.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.009 1.323 . . . . 0.0 110.301 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.79 114.44 14.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 168.219 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.04 147.91 44.23 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.253 1.021 . . . . 0.0 110.025 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -94.46 168.8 10.64 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.941 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.89 139.84 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.003 0.43 . . . . 0.0 111.867 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -2.52 86.28 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 123.906 0.765 . . . . 0.0 113.979 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -91.75 174.61 7.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.651 1.225 . . . . 0.0 111.81 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 40.5 m -136.05 157.6 46.45 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -174.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mm -137.41 149.65 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 127.542 2.337 . . . . 0.0 107.753 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -130.35 152.99 49.16 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 119.62 1.1 . . . . 0.0 113.493 -174.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.89 139.21 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 125.12 1.368 . . . . 0.0 109.559 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.43 -141.02 47.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.6 6.93 11.67 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.961 0.904 . . . . 0.0 111.641 172.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -138.04 -6.98 1.61 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.53 132.36 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.779 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.1 m -126.47 141.06 52.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.039 0.936 . . . . 0.0 110.251 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -118.74 137.42 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.325 1.45 . . . . 0.0 108.404 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -132.18 127.95 36.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.235 0.614 . . . . 0.0 109.884 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.62 106.4 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.07 -31.71 61.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.063 -0.398 . . . . 0.0 110.395 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.18 -174.51 36.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -115.46 156.73 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.89 0.876 . . . . 0.0 112.013 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.53 90.0 1.97 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.194 1.398 . . . . 0.0 109.167 170.207 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -114.7 6.64 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 121.429 -0.794 . . . . 0.0 111.29 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -91.13 -20.49 21.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.931 0.865 . . . . 0.0 111.596 172.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -71.0 149.54 46.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.256 0.55 . . . . 0.0 110.664 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.82 117.22 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -173.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -80.7 116.43 20.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.587 0.755 . . . . 0.0 109.383 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -123.87 131.0 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.495 0.718 . . . . 0.0 110.134 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.37 142.66 15.81 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.45 1.024 . . . . 0.0 111.565 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.2 mt -133.44 125.66 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.827 1.251 . . . . 0.0 108.961 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.71 99.01 5.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 154.79 78.5 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.65 1.18 . . . . 0.0 110.695 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.49 158.3 41.78 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.985 2.457 . . . . 0.0 112.061 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -72.49 -1.05 14.37 Favored 'General case' 0 N--CA 1.457 -0.075 0 C-N-CA 123.393 0.677 . . . . 0.0 112.672 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.88 -22.48 65.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.654 1.182 . . . . 0.0 111.808 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.77 159.27 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.159 0.984 . . . . 0.0 110.655 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.75 158.51 15.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 128.63 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.081 0.553 . . . . 0.0 110.237 169.613 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -149.22 167.37 26.2 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.913 0.885 . . . . 0.0 110.533 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 -76.63 162.27 27.88 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 121.666 -0.646 . . . . 0.0 110.117 169.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.13 -28.61 68.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.64 -53.5 57.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.771 0.828 . . . . 0.0 111.508 170.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -78.04 -32.92 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.643 0.777 . . . . 0.0 109.734 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -52.44 -35.15 51.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.195 0.998 . . . . 0.0 112.567 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.5 -21.89 66.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.403 0.681 . . . . 0.0 112.593 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -71.52 -22.97 61.71 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.584 0.629 . . . . 0.0 110.746 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -94.77 -22.99 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.968 1.307 . . . . 0.0 109.774 -177.494 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -85.25 -51.12 6.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 171.164 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.46 -25.62 13.55 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -165.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -123.49 -32.06 0.92 Allowed Glycine 0 CA--C 1.525 0.671 0 CA-C-N 118.831 0.741 . . . . 0.0 112.213 -170.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.5 159.51 0.1 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 129.155 2.982 . . . . 0.0 113.323 175.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 39.6 p -92.6 -26.98 17.62 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.251 -175.169 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.9 90.6 5.39 Favored Pre-proline 0 N--CA 1.453 -0.28 0 C-N-CA 124.172 0.989 . . . . 0.0 109.785 170.003 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -66.22 174.04 6.58 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.701 2.267 . . . . 0.0 114.655 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.967 172.837 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.192 0.044 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -97.49 148.42 23.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 111.455 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.79 136.94 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.972 0.909 . . . . 0.0 109.075 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -134.01 160.64 37.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.744 1.218 . . . . 0.0 110.102 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.38 99.25 6.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 168.246 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -108.64 144.01 36.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.346 1.059 . . . . 0.0 111.127 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -102.61 168.28 9.38 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 m -56.36 135.04 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.286 -171.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.82 -8.49 70.77 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.321 0.962 . . . . 0.0 114.266 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -91.26 167.73 12.1 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.859 1.33 . . . . 0.0 112.319 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 63.4 m -133.21 152.65 51.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.423 0.689 . . . . 0.0 112.8 -170.024 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 43.4 mm -133.98 153.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 126.697 1.999 . . . . 0.0 108.481 -179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -130.6 148.7 52.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.553 -0.717 . . . . 0.0 112.288 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -135.82 144.06 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.564 1.146 . . . . 0.0 108.98 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -131.32 51.87 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -128.9 10.0 5.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.275 1.03 . . . . 0.0 111.374 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.36 -18.37 0.89 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.99 137.91 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 118.869 0.759 . . . . 0.0 110.413 -172.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -131.7 139.17 48.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.53 1.132 . . . . 0.0 110.183 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -121.67 144.57 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.015 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -140.07 126.75 20.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.994 0.518 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -77.18 118.04 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -88.64 -29.5 19.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.062 0.545 . . . . 0.0 111.026 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.02 -175.31 35.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 113.903 0.321 . . . . 0.0 113.903 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.67 153.69 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 123.448 0.699 . . . . 0.0 112.137 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -142.21 89.95 2.21 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.182 1.393 . . . . 0.0 109.171 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 -102.9 1.28 Allowed Glycine 0 CA--C 1.525 0.707 0 O-C-N 121.795 -0.565 . . . . 0.0 111.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -99.52 -18.48 17.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 117.565 0.683 . . . . 0.0 112.087 171.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -74.93 146.1 42.08 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.349 0.595 . . . . 0.0 110.397 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -139.48 112.4 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -89.55 125.42 35.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.566 0.747 . . . . 0.0 109.263 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -132.36 129.9 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.94 0.896 . . . . 0.0 110.411 -168.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.59 142.07 15.92 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.155 0.883 . . . . 0.0 111.062 171.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.0 mt -136.58 125.66 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.894 0.877 . . . . 0.0 109.256 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -134.09 107.86 7.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.37 0.668 . . . . 0.0 109.721 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.32 78.05 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 123.705 0.802 . . . . 0.0 111.312 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.87 160.62 40.15 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.801 2.334 . . . . 0.0 112.227 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -64.53 -11.52 35.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.57 -15.91 62.29 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.77 1.228 . . . . 0.0 112.507 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.54 166.26 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.885 0.874 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.07 157.3 17.85 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.076 0.55 . . . . 0.0 111.564 170.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.1 117.25 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.214 0.605 . . . . 0.0 110.428 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -153.49 174.56 14.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.633 0.773 . . . . 0.0 111.189 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -80.11 163.32 24.22 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.804 -0.56 . . . . 0.0 110.204 168.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -60.76 -21.33 62.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.82 -49.58 72.31 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.672 0.789 . . . . 0.0 110.688 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -77.97 -31.4 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.318 0.647 . . . . 0.0 110.004 -173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -56.11 -34.96 66.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.823 0.849 . . . . 0.0 112.494 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -71.58 -22.66 61.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.18 0.592 . . . . 0.0 112.55 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -75.04 -22.97 58.08 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.344 0.658 . . . . 0.0 111.103 172.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -95.49 -47.73 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 123.47 0.708 . . . . 0.0 110.27 -169.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -69.7 2.92 2.83 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.908 0.706 . . . . 0.0 112.908 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.64 -21.76 65.93 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.837 0.855 . . . . 0.0 112.388 169.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.12 21.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 114.709 0.643 . . . . 0.0 114.709 169.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.85 -173.78 4.71 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.507 1.153 . . . . 0.0 111.505 -168.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 6.4 m -121.7 -35.04 3.29 Favored 'General case' 0 N--CA 1.458 -0.056 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . 0.601 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -158.46 -32.12 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-O 117.873 -1.06 . . . . 0.0 113.709 -169.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . 0.601 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 32.9 Cg_exo -72.99 -179.4 4.26 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 121.517 1.478 . . . . 0.0 113.464 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 124.215 1.006 . . . . 0.0 112.009 173.592 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.769 3.569 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.905 3.705 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 O4'-C1'-N19 112.784 4.584 . 0.679 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 O4'-C1'-N19 112.058 3.858 . 0.077 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C3'-C2'-C1' 104.205 3.006 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 1 C5'-C4'-C3' 108.978 -4.348 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 O4'-C1'-N19 112.017 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.464 -2.691 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 O5'-C5'-C4' 114.278 2.913 . 0.025 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C3'-C2'-C1' 104.775 3.639 . 0.163 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 O4'-C1'-N19 111.415 3.215 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C5'-C4'-C3' 111.702 -2.532 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 1 C5'-C4'-C3' 108.453 -4.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 100.33 -2.37 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 0 O4'-C1'-N19 111.745 3.545 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 N19-C1'-C2' 107.849 -3.469 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 111.688 3.488 . 0.83 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.689 4.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O4'-C1'-N19 110.948 2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.922 3.722 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 1 O4'-C1'-N19 112.514 4.314 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 O4'-C1'-N19 111.097 2.897 . 0.055 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 O4'-C1'-N19 112.661 4.461 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 O4'-C1'-N19 112.117 3.917 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C5'-C4'-C3' 110.002 -3.666 . 0.286 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.894 0 O4'-C1'-N19 111.01 2.81 . 0.454 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.475 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C5'-C4'-C3' 112.191 -2.206 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.427 ' H1 ' HG21 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C5'-C4'-C3' 111.834 -2.444 . 0.049 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 111.292 -2.805 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 C5'-C4'-C3' 109.132 -4.245 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 P-O3'-C3' 125.774 5.062 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 O4'-C1'-N19 111.3 3.1 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 1 O4'-C1'-N19 112.402 4.202 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 111.751 3.551 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 111.066 2.866 . 0.261 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.59 3.39 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C3'-C2'-C1' 103.54 2.267 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 0 C3'-C2'-C1' 104.111 2.901 . 0.266 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 O4'-C1'-N19 113.706 5.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 1 C5'-C4'-C3' 108.931 -4.379 . 0.024 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 2 C3'-C2'-C1' 106.095 5.106 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 1 C5'-C4'-C3' 109.25 -4.166 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 O4'-C1'-N19 112.902 4.702 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 1 O4'-C1'-N19 112.6 4.4 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.429 3.229 . 0.444 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O4'-C1'-N19 112.176 3.976 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.487 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 C3'-C2'-C1' 104.501 3.335 . 0.357 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.487 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.402 -3.298 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 C5'-C4'-C3' 110.987 -3.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.337 0 C3'-C2'-C1' 104.026 2.807 . 0.387 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . 0.428 ' C8 ' ' CE ' ' B' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.413 -3.347 3 C5'-C4'-C3' 107.77 -5.153 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 1 P-O3'-C3' 126.646 5.788 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.448 4.248 . 0.516 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C4'-C3'-C2' 99.743 -2.957 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 O4'-C1'-N19 111.432 3.232 . 0.443 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 1 O4'-C1'-N19 112.201 4.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.599 3.399 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 1 O4'-C1'-N19 112.361 4.161 . 0.164 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 111.497 3.297 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.393 4.193 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C1'-N19 111.975 3.775 . 0.537 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.511 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 O4'-C1'-N19 111.174 2.974 . 0.359 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.511 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 99.412 -3.288 . 0.011 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C3'-C2'-C1' 103.97 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.494 0 C5'-C4'-C3' 111.188 -2.875 . 0.149 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 C5'-C4'-C3' 105.079 -6.947 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 1 P-O3'-C3' 125.678 4.982 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 110.973 2.773 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 1 O4'-C1'-N19 112.642 4.442 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C4'-C3'-C2' 99.578 -3.122 . 0.351 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 O4'-C1'-N19 111.404 3.204 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.5 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.26 112.51 24.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.675 0.79 . . . . 0.0 109.848 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.29 137.66 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.663 0.785 . . . . 0.0 110.434 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 mt -132.06 153.88 49.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.195 0.998 . . . . 0.0 109.56 173.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -127.98 101.01 6.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 109.241 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 142.92 33.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.62 167.26 19.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.182 0.993 . . . . 0.0 112.856 -168.634 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 52.2 t -44.35 130.71 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.452 1.101 . . . . 0.0 110.241 167.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -11.73 70.79 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.5 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -79.52 172.38 13.87 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.456 1.628 . . . . 0.0 112.477 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -147.47 143.72 28.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.637 0.775 . . . . 0.0 111.955 -169.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.1 mm -113.57 153.44 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.952 1.301 . . . . 0.0 109.982 174.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -122.57 137.3 54.93 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.58 1.152 . . . . 0.0 109.817 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt -131.99 125.83 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.375 1.07 . . . . 0.0 109.478 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -128.29 28.84 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.68 1.45 7.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.801 0.841 . . . . 0.0 112.285 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -135.1 -25.61 1.36 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.72 134.94 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 119.071 0.85 . . . . 0.0 110.468 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -127.35 144.27 51.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 109.526 170.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -124.47 140.5 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.054 1.342 . . . . 0.0 107.981 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.8 m -138.34 132.39 31.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.341 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -83.09 103.28 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 171.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.9 -29.05 63.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.979 -0.451 . . . . 0.0 109.786 -176.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.05 -172.52 41.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 113.728 0.251 . . . . 0.0 113.728 168.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.81 145.26 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.81 0.844 . . . . 0.0 110.948 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 m -136.98 65.16 1.51 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.932 1.293 . . . . 0.0 109.693 -170.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.98 -122.19 12.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.97 -12.47 60.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.611 0.764 . . . . 0.0 111.812 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -99.0 157.72 16.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.823 0.821 . . . . 0.0 112.419 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.41 125.38 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.766 1.627 . . . . 0.0 108.274 -169.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -101.62 101.95 12.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.477 0.711 . . . . 0.0 110.127 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mt -108.61 131.35 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.139 1.376 . . . . 0.0 109.505 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.9 138.26 14.08 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 123.845 0.736 . . . . 0.0 111.484 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -112.11 130.4 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.288 1.435 . . . . 0.0 107.936 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.28 74.97 1.02 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.209 1.004 . . . . 0.0 109.363 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.96 152.85 40.39 Favored Pre-proline 0 N--CA 1.453 -0.312 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.708 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.15 155.43 56.67 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.532 2.155 . . . . 0.0 110.398 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -69.18 -1.08 6.97 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.88 -31.06 71.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.774 0.829 . . . . 0.0 111.358 168.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.98 144.02 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 121.839 0.828 . . . . 0.0 111.343 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.0 32.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.818 0.847 . . . . 0.0 110.721 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.52 127.51 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.548 0.339 . . . . 0.0 110.345 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -151.11 -176.97 5.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.385 1.074 . . . . 0.0 109.971 -172.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -123.96 167.8 13.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 169.952 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.564 -173.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.97 -25.47 61.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.869 1.268 . . . . 0.0 112.981 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -117.63 -24.46 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 125.017 1.327 . . . . 0.0 111.168 -172.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -63.82 -30.58 71.66 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.487 0.715 . . . . 0.0 110.184 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.07 -13.28 60.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.667 0.787 . . . . 0.0 111.753 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.54 -34.65 35.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.342 1.057 . . . . 0.0 110.669 169.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.7 mt -62.95 -54.01 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.928 0.891 . . . . 0.0 108.61 172.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.8 mm-40 -84.17 5.18 27.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.855 0.862 . . . . 0.0 112.758 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.06 -28.08 66.12 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.58 0.352 . . . . 0.0 111.173 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.97 14.23 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 CA-C-O 118.972 -0.904 . . . . 0.0 113.298 173.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 11.8 mt -92.02 90.58 7.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.898 1.349 . . . . 0.0 107.806 179.585 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.1 p 158.75 147.32 0.01 OUTLIER 'General case' 0 C--O 1.23 0.075 0 C-N-CA 127.651 2.38 . . . . 0.0 108.837 -171.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.14 151.36 46.57 Favored Pre-proline 0 N--CA 1.454 -0.23 0 C-N-CA 123.142 0.577 . . . . 0.0 110.427 167.23 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -75.58 162.02 36.24 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.962 2.441 . . . . 0.0 111.577 171.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.9 t0 . . . . . 0 N--CA 1.45 -0.425 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.375 177.798 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.33 123.1 49.32 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 168.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -118.82 139.59 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -165.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -134.56 138.74 44.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.974 1.31 . . . . 0.0 110.548 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -115.42 103.76 11.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -129.11 157.96 40.3 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.97 0.908 . . . . 0.0 110.955 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -92.33 170.2 9.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.0 112.575 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -63.37 135.19 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.428 0.632 . . . . 0.0 111.056 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.18 -2.25 78.48 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 114.272 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.61 155.44 23.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.848 1.324 . . . . 0.0 112.087 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -123.45 146.02 48.36 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.307 1.043 . . . . 0.0 111.226 -173.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.3 mt -136.3 151.75 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.243 1.417 . . . . 0.0 109.258 -170.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -135.51 142.24 45.41 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -169.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -134.1 127.7 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.627 1.171 . . . . 0.0 109.509 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -136.72 50.52 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -119.66 -4.14 10.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.613 0.765 . . . . 0.0 112.382 172.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -107.18 -20.99 13.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.463 0.705 . . . . 0.0 112.795 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.21 134.54 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.853 0.752 . . . . 0.0 111.209 -169.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -129.65 148.41 51.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.789 1.236 . . . . 0.0 109.652 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -125.53 144.58 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.076 1.75 . . . . 0.0 107.76 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -136.06 127.18 27.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -79.2 105.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 170.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.51 -31.96 63.99 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.754 -0.591 . . . . 0.0 110.94 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.59 157.72 8.56 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-O 121.324 0.402 . . . . 0.0 112.574 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.68 144.69 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.7 t -130.08 73.99 1.56 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.33 -135.36 13.25 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.493 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.63 13.03 23.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.252 0.621 . . . . 0.0 110.197 167.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -98.8 143.35 29.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.89 117.38 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.998 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.37 117.56 24.37 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.826 1.25 . . . . 0.0 109.088 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 pt -136.9 144.87 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.483 0.713 . . . . 0.0 111.319 -178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.27 144.66 15.86 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 124.034 0.826 . . . . 0.0 111.902 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.36 132.14 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.093 0.957 . . . . 0.0 108.667 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -130.69 83.11 2.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.404 -167.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.64 156.01 80.68 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.857 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -57.43 154.41 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 121.506 1.471 . . . . 0.0 110.672 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . 0.572 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.9 mmtm -71.15 -0.71 10.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.918 -0.489 . . . . 0.0 112.011 171.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.94 -25.16 67.0 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.969 1.308 . . . . 0.0 112.18 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -108.16 144.06 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.809 0.844 . . . . 0.0 110.376 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.503 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -88.79 142.52 27.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 111.526 171.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.22 97.97 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.608 -166.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.503 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.1 OUTLIER -147.09 160.72 42.08 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.632 0.773 . . . . 0.0 111.372 178.139 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -62.39 153.23 31.82 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.073 0.549 . . . . 0.0 111.567 169.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -54.24 -36.19 63.28 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 123.823 0.849 . . . . 0.0 112.408 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -51.22 63.61 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.636 0.653 . . . . 0.0 111.401 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -69.47 -44.23 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 110.773 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -51.43 -37.99 51.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.089 0.956 . . . . 0.0 112.086 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -79.68 -38.18 34.13 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.068 0.849 . . . . 0.0 110.295 173.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.41 -41.95 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -78.93 4.98 12.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.04 -18.26 53.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.938 -0.476 . . . . 0.0 111.442 168.625 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.1 45.53 0.09 OUTLIER Glycine 0 CA--C 1.524 0.647 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.284 168.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.82 -175.7 2.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.044 0.922 . . . . 0.0 112.952 -168.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -126.07 178.35 5.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.464 1.505 . . . . 0.0 109.351 167.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.51 117.18 1.15 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 124.333 1.053 . . . . 0.0 111.271 177.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -66.86 167.16 20.29 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.526 1.484 . . . . 0.0 114.754 -168.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.445 171.079 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.7 tpp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 105.72 10.88 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.169 1.788 . . . . 0.0 106.213 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.69 133.03 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 123.373 0.669 . . . . 0.0 109.474 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.2 134.98 48.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.315 1.046 . . . . 0.0 109.19 169.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -91.17 151.08 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.08 131.75 18.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.28 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.492 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.6 tptm -77.57 153.6 33.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 170.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -58.95 135.87 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.005 0.431 . . . . 0.0 111.988 -175.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.39 -1.98 80.18 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.602 1.096 . . . . 0.0 114.16 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.75 164.15 11.99 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.021 1.411 . . . . 0.0 111.746 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -120.88 161.05 22.2 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -167.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -137.04 160.48 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.692 2.397 . . . . 0.0 108.026 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.96 150.91 52.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.035 -1.041 . . . . 0.0 112.068 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.6 mt -132.58 133.17 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.47 1.108 . . . . 0.0 108.979 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.93 -142.01 44.49 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.614 0.626 . . . . 0.0 112.048 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -114.88 0.51 13.78 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.598 1.159 . . . . 0.0 111.321 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -122.38 -12.07 8.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.12 134.62 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.845 0.748 . . . . 0.0 110.869 -173.303 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 33.4 m -120.92 146.8 46.25 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.381 1.072 . . . . 0.0 109.806 170.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -125.94 141.73 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.483 1.513 . . . . 0.0 108.08 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -132.45 135.06 45.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 170.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.8 tp -90.13 111.41 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 169.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.32 -46.49 10.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.859 -0.526 . . . . 0.0 111.136 -167.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.4 -178.04 46.36 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.822 169.624 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.3 154.51 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 CA-C-O 121.563 0.697 . . . . 0.0 112.223 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.25 110.37 5.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.958 2.103 . . . . 0.0 107.283 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.05 -117.21 7.85 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 119.362 0.983 . . . . 0.0 110.851 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -98.19 -9.26 25.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -86.33 145.68 26.81 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.004 0.907 . . . . 0.0 111.637 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -130.11 116.45 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 114.302 -1.317 . . . . 0.0 107.6 -168.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -76.67 114.12 15.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.99 136.58 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.884 1.674 . . . . 0.0 109.656 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 138.59 15.0 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.291 0.948 . . . . 0.0 112.037 172.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -127.46 124.22 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.772 1.229 . . . . 0.0 108.931 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.02 100.17 7.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.386 0.674 . . . . 0.0 109.834 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.29 156.2 71.98 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.384 1.073 . . . . 0.0 110.191 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.61 151.89 82.92 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.767 2.311 . . . . 0.0 111.212 171.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.31 -0.88 2.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.387 0.675 . . . . 0.0 112.715 172.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.99 -24.21 66.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.402 1.081 . . . . 0.0 111.516 169.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.09 146.46 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.082 0.953 . . . . 0.0 110.308 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 153.53 22.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.69 0.396 . . . . 0.0 111.206 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -138.01 131.18 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.017 0.527 . . . . 0.0 109.624 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -155.26 162.53 40.87 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.105 0.562 . . . . 0.0 112.179 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -79.03 159.57 27.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 166.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.06 -31.85 69.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.68 -45.96 88.31 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 111.652 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 mm -87.51 -30.4 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.151 0.58 . . . . 0.0 110.525 -172.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -51.78 -36.98 49.58 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.653 0.781 . . . . 0.0 112.238 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -60.07 -31.42 69.98 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.641 0.776 . . . . 0.0 112.321 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -69.97 -36.53 75.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.259 0.624 . . . . 0.0 111.682 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.58 -20.88 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 O-C-N 121.975 -0.453 . . . . 0.0 110.152 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -90.51 -13.75 34.06 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.461 0.704 . . . . 0.0 112.564 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.33 -27.11 47.07 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.074 0.949 . . . . 0.0 112.042 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 101.57 140.71 11.34 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 124.061 0.839 . . . . 0.0 111.785 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.99 14.34 0.81 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.975 0.91 . . . . 0.0 112.716 -169.574 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.9 m -62.73 140.86 58.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.613 0.765 . . . . 0.0 111.084 -171.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 50.09 71.88 1.42 Allowed Pre-proline 0 N--CA 1.454 -0.259 0 C-N-CA 124.976 1.31 . . . . 0.0 112.086 -169.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.31 139.02 81.08 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.469 2.779 . . . . 0.0 112.699 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 CA--C 1.528 0.109 0 C-N-CA 126.715 2.006 . . . . 0.0 114.372 177.095 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.404 ' CE ' ' C6 ' ' G' ' 67' ' ' ' C' . 1.5 ttp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -107.58 116.0 31.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.316 1.446 . . . . 0.0 109.375 172.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -109.12 141.46 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 125.158 1.383 . . . . 0.0 109.8 -179.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.94 160.39 35.98 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.8 0.84 . . . . 0.0 111.525 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p -87.56 150.85 23.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.415 0.626 . . . . 0.0 112.143 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -145.9 130.96 18.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.123 1.369 . . . . 0.0 108.206 169.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . 0.25 18.4 ptpt -99.14 162.72 12.9 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 120.161 1.346 . . . . 0.0 112.714 171.547 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 m -53.75 137.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.494 -167.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -5.58 76.67 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.35 0.976 . . . . 0.0 114.016 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -95.72 177.16 5.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.799 1.3 . . . . 0.0 112.27 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -135.15 157.75 46.11 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.5 mt -141.38 159.68 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 127.324 2.25 . . . . 0.0 108.423 -176.41 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -137.84 149.18 46.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.784 0.833 . . . . 0.0 112.151 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.19 137.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.809 1.244 . . . . 0.0 109.195 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.22 -137.55 49.85 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -120.14 4.31 10.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 112.019 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.29 -8.11 4.25 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.15 137.73 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.757 0.708 . . . . 0.0 110.68 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.4 m -126.64 145.06 50.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.496 1.118 . . . . 0.0 109.774 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -124.61 140.23 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 125.453 1.501 . . . . 0.0 107.993 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -132.55 129.55 39.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -87.54 94.56 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.0 -31.75 69.58 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.343 0.657 . . . . 0.0 110.945 -170.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.83 -176.84 41.79 Favored Glycine 0 CA--C 1.524 0.625 0 CA-C-O 120.752 0.084 . . . . 0.0 112.973 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -114.81 159.19 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.585 0.754 . . . . 0.0 109.81 167.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -142.78 79.14 1.64 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 169.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.07 -112.97 3.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -173.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.492 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.18 -5.66 43.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.499 0.72 . . . . 0.0 110.635 174.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -75.01 152.78 38.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.721 0.772 . . . . 0.0 111.353 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -128.58 119.31 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -89.9 113.42 25.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -120.64 127.4 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.608 0.763 . . . . 0.0 109.789 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.1 137.92 13.78 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -125.18 138.67 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -137.71 98.72 3.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.01 155.84 76.03 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.533 1.133 . . . . 0.0 109.751 -174.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.89 151.74 79.22 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.161 1.907 . . . . 0.0 110.51 169.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.66 -0.98 2.36 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.251 0.62 . . . . 0.0 112.35 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.88 -23.76 66.72 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.889 1.276 . . . . 0.0 111.119 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.61 160.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.658 1.183 . . . . 0.0 110.772 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.58 156.99 16.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.438 0.695 . . . . 0.0 112.206 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -149.89 121.91 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 122.805 0.442 . . . . 0.0 109.83 167.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -149.59 166.02 30.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.437 0.695 . . . . 0.0 111.402 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -60.69 156.91 15.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 167.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -60.43 -34.48 74.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.295 0.952 . . . . 0.0 110.702 173.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.66 -47.65 70.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.489 1.116 . . . . 0.0 112.177 169.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -84.9 -28.81 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.334 0.654 . . . . 0.0 111.674 -173.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -52.37 -40.51 62.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.382 0.673 . . . . 0.0 110.788 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.09 -20.96 66.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.214 1.006 . . . . 0.0 113.219 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -72.37 -52.56 15.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 mp -61.21 -37.16 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.45 2.01 20.32 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.496 0.718 . . . . 0.0 112.03 -177.313 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.93 -5.51 31.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.513 0.725 . . . . 0.0 111.838 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.59 35.78 1.52 Allowed Glycine 0 C--N 1.339 0.714 0 C-N-CA 124.014 0.816 . . . . 0.0 112.98 170.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 pp -164.47 -168.73 1.59 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.908 0.854 . . . . 0.0 112.778 -166.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 4.1 m -133.9 171.36 14.28 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.701 1.6 . . . . 0.0 107.843 167.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -47.66 127.25 10.73 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 123.462 0.705 . . . . 0.0 111.927 -176.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -63.13 172.63 4.83 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.836 2.358 . . . . 0.0 113.99 -178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 N--CA 1.453 -0.325 0 C-N-CA 124.16 0.984 . . . . 0.0 112.052 178.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.27 123.09 18.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.473 1.109 . . . . 0.0 108.912 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.98 139.91 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 124.041 0.936 . . . . 0.0 109.753 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 49.2 mt -136.84 165.05 26.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.424 1.49 . . . . 0.0 111.109 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 106.4 8.35 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 167.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.1 129.8 56.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.635 1.574 . . . . 0.0 110.194 -173.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -93.73 165.12 12.86 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.769 1.168 . . . . 0.0 112.713 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.05 139.18 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.427 -169.651 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -3.92 86.57 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 124.002 0.811 . . . . 0.0 114.189 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -94.35 175.2 6.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.641 1.22 . . . . 0.0 111.188 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 33.9 m -135.69 155.77 49.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -169.292 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -133.83 154.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.947 2.099 . . . . 0.0 108.095 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -129.03 149.37 50.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.538 -0.726 . . . . 0.0 112.149 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.73 134.85 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.79 1.236 . . . . 0.0 109.551 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.38 51.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -129.98 10.01 5.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.65 0.78 . . . . 0.0 112.678 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -126.34 -11.72 6.29 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.97 131.32 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.242 0.928 . . . . 0.0 110.912 -170.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -122.61 142.53 50.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.239 1.016 . . . . 0.0 109.611 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm -120.93 137.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.313 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -131.3 126.08 34.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.398 0.679 . . . . 0.0 109.726 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.8 101.65 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.19 -30.43 67.54 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.18 -0.325 . . . . 0.0 110.761 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.12 -176.75 32.68 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 123.304 0.478 . . . . 0.0 113.603 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 m -108.65 160.71 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.893 0.877 . . . . 0.0 111.745 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -150.01 89.89 1.64 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.858 1.263 . . . . 0.0 109.11 169.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.14 -106.04 1.6 Allowed Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.806 -0.559 . . . . 0.0 111.797 -176.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -97.23 -19.65 18.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 117.672 0.736 . . . . 0.0 111.736 171.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -71.67 148.04 46.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.423 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.7 114.37 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -91.1 121.16 32.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.02 128.92 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.324 -168.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.64 133.25 11.7 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 169.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.04 116.77 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.737 1.215 . . . . 0.0 107.925 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -118.18 98.89 6.53 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -169.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.4 153.15 72.54 Favored Pre-proline 0 N--CA 1.449 -0.496 0 C-N-CA 124.386 1.074 . . . . 0.0 109.557 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.24 150.15 76.06 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 122.012 1.808 . . . . 0.0 111.112 171.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -4.28 8.32 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 124.172 0.989 . . . . 0.0 113.277 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.89 -28.23 69.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.792 1.637 . . . . 0.0 111.799 171.339 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -113.68 161.48 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.406 1.083 . . . . 0.0 109.412 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.43 153.58 17.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -154.97 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.235 0.614 . . . . 0.0 110.474 168.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -151.21 165.78 32.89 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.282 1.033 . . . . 0.0 109.949 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -74.82 162.6 28.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.828 -0.545 . . . . 0.0 109.99 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -62.08 -24.54 67.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.809 0.444 . . . . 0.0 112.164 -170.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.04 -50.44 73.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 112.009 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.27 -33.43 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.704 0.802 . . . . 0.0 110.083 -172.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 74.2 t80 -54.56 -37.06 65.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.074 0.95 . . . . 0.0 112.412 179.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -65.91 -28.47 68.96 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.206 0.603 . . . . 0.0 112.364 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.22 -22.96 60.33 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.41 0.684 . . . . 0.0 110.829 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -95.44 -41.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.675 1.19 . . . . 0.0 110.037 -172.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -74.25 2.65 8.68 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.599 0.76 . . . . 0.0 112.678 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -22.12 66.89 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.812 0.845 . . . . 0.0 112.427 171.164 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.54 32.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.72 0 CA-C-O 118.976 -0.902 . . . . 0.0 114.947 169.435 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.69 41.6 0.41 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.746 1.273 . . . . 0.0 113.739 -169.068 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 4.6 m -67.09 -24.15 65.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.156 -0.965 . . . . 0.0 112.168 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.56 94.6 34.83 Favored Pre-proline 0 N--CA 1.451 -0.415 0 C-N-CA 124.369 1.068 . . . . 0.0 109.308 168.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -66.17 176.1 4.23 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 123.018 2.479 . . . . 0.0 113.623 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.454 -0.271 0 C-N-CA 124.293 1.037 . . . . 0.0 112.227 177.149 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.244 0.068 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -107.22 140.95 39.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.889 0.475 . . . . 0.0 110.534 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.0 121.22 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.8 150.75 36.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.327 1.451 . . . . 0.0 109.47 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 114.44 21.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.39 126.5 45.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.882 1.273 . . . . 0.0 109.991 -169.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.83 165.7 12.78 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 119.505 1.048 . . . . 0.0 112.431 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 m -58.98 135.03 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.623 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.32 76.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.347 0.975 . . . . 0.0 114.23 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -96.83 172.04 8.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.726 1.263 . . . . 0.0 111.561 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -136.02 159.46 41.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -169.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.0 mt -137.23 157.03 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.64 1.976 . . . . 0.0 108.113 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -129.76 149.63 51.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.444 -0.785 . . . . 0.0 112.182 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -133.86 138.79 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.549 1.139 . . . . 0.0 108.991 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.26 -135.96 51.39 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.39 10.07 7.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.186 0.994 . . . . 0.0 112.325 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -131.2 -20.46 2.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.48 137.07 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.134 0.879 . . . . 0.0 110.855 -171.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -126.82 142.87 51.43 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.418 1.087 . . . . 0.0 110.257 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -119.7 140.49 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.7 1.6 . . . . 0.0 108.157 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -135.72 128.8 31.6 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.256 0.622 . . . . 0.0 109.885 176.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.28 109.13 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -81.16 -27.89 35.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.156 0.582 . . . . 0.0 111.186 -172.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.61 -173.59 34.36 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.193 0.425 . . . . 0.0 113.47 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.24 158.45 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 123.541 0.737 . . . . 0.0 111.96 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -150.05 91.35 1.77 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.681 1.193 . . . . 0.0 109.105 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -111.45 3.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.51 -21.04 20.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.434 0.617 . . . . 0.0 111.812 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.53 142.38 44.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.067 0.547 . . . . 0.0 110.175 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -133.92 115.35 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -85.46 127.0 34.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.69 139.3 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.652 0.781 . . . . 0.0 109.966 -169.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 139.71 15.67 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.64 141.07 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.364 1.066 . . . . 0.0 109.469 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -130.22 107.92 9.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.245 1.018 . . . . 0.0 109.072 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.1 158.14 74.34 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.085 0.954 . . . . 0.0 111.256 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -65.19 162.53 32.72 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.966 2.444 . . . . 0.0 112.197 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.58 -5.01 30.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.41 0.684 . . . . 0.0 112.608 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.68 -20.16 64.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.636 1.175 . . . . 0.0 112.431 171.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -128.42 164.98 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 123.93 0.892 . . . . 0.0 111.271 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.05 162.35 13.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.873 0.869 . . . . 0.0 111.235 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.64 125.26 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.19 0.596 . . . . 0.0 110.541 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -153.03 173.19 15.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.014 0.926 . . . . 0.0 110.634 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -74.36 162.31 29.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 168.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.31 -21.78 62.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.62 -44.35 94.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -86.42 -29.86 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 123.252 0.621 . . . . 0.0 109.669 -172.404 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -53.61 -34.31 58.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.835 0.854 . . . . 0.0 112.643 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -67.96 -22.0 65.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.427 0.691 . . . . 0.0 112.361 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -85.11 -22.97 28.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.442 0.697 . . . . 0.0 111.329 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mm -68.8 -57.68 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.73 0.812 . . . . 0.0 109.221 170.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -75.9 3.17 10.66 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.82 0.848 . . . . 0.0 112.535 -170.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.61 -24.71 65.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.047 0.939 . . . . 0.0 112.414 169.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.4 28.13 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 CA-C-O 119.328 -0.706 . . . . 0.0 114.656 169.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -159.34 -177.42 6.43 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.368 1.084 . . . . 0.0 111.775 -169.076 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 39.4 m -139.14 142.5 38.03 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.2 1.0 . . . . 0.0 109.114 168.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 51.85 82.95 0.23 Allowed Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 125.328 1.451 . . . . 0.0 112.957 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.47 171.28 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.583 2.855 . . . . 0.0 114.705 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 124.726 1.211 . . . . 0.0 112.074 171.415 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 112.174 3.974 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.66 3.46 . 0.364 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.59 4.39 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 O4'-C1'-N19 111.896 3.696 . 0.258 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.583 3.383 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-O4' 114.465 3.761 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.852 3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 C3'-C2'-C1' 103.755 2.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.448 0 O5'-C5'-C4' 113.716 2.511 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 0 C3'-C2'-C1' 104.753 3.614 . 0.212 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.33 0 O4'-C1'-N19 111.332 3.132 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 0 C5'-C4'-C3' 112.242 -2.172 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C5'-C4'-C3' 108.406 -4.729 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 O4'-C1'-N19 110.511 2.311 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 111.766 3.566 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 O4'-C1'-N19 111.384 3.184 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C5'-C4'-C3' 110.104 -3.598 . 0.769 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 1 O4'-C1'-N19 113.326 5.126 . 0.079 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 110.909 2.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.915 3.715 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 O4'-C1'-N19 112.661 4.461 . 0.501 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.279 3.079 . 0.048 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 113.121 4.921 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 O4'-C1'-N19 111.998 3.798 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 C5'-C4'-C3' 110.863 -3.091 . 0.853 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O5'-C5'-C4' 113.785 2.561 . 0.45 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.489 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C4'-C3'-C2' 100.272 -2.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.572 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C5'-C4'-C3' 112.759 -1.827 . 0.021 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 C5'-C4'-C3' 111.31 -2.793 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.485 HO2' ' P ' ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 109.238 -4.175 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.485 ' P ' HO2' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 P-O3'-C3' 125.228 4.606 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.093 2.893 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 1 O4'-C1'-N19 112.468 4.268 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 111.824 3.624 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 C4'-C3'-C2' 99.777 -2.923 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.282 3.082 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 1 O4'-C1'-N19 112.209 4.009 . 0.261 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 O4'-C4'-C3' 109.089 2.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 1 C5'-C4'-C3' 109.26 -4.16 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 2 O4'-C1'-N19 114.591 6.391 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 0 C5'-C4'-C3' 110.151 -3.566 . 0.139 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . 0.402 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.283 2 C3'-C2'-C1' 106.396 5.44 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . 0.402 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.333 0 O4'-C1'-N19 111.87 3.67 . 0.043 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 O4'-C1'-N19 112.788 4.588 . 0.208 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 1 O4'-C1'-N19 112.957 4.757 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 O4'-C1'-N19 111.36 3.16 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 112.199 3.999 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.467 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 C3'-C2'-C1' 104.672 3.525 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.467 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.847 -2.853 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 111.214 -2.857 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.462 0 C5'-C4'-C3' 111.224 -2.851 . 0.41 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.408 1 O5'-C5'-C4' 116.912 4.794 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C5'-C4'-C3' 111.784 -2.478 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 112.018 3.818 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C4'-C3'-C2' 100.134 -2.566 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 O4'-C1'-N19 111.465 3.265 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C3'-C2'-C1' 104.408 3.231 . 0.219 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.199 2.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 112.169 3.969 . 0.062 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 O4'-C1'-N19 111.515 3.315 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.887 3.687 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 O4'-C1'-N19 111.362 3.162 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.467 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.295 1 C3'-C2'-C1' 105.117 4.019 . 0.242 1c . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.467 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.292 0 C4'-C3'-C2' 100.011 -2.689 . 0.032 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C5'-C4'-C3' 111.927 -2.382 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.383 0 C5'-C4'-C3' 110.312 -3.458 . 0.174 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.404 ' C6 ' ' CE ' ' D' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.415 -3.142 2 C5'-C4'-C3' 105.937 -6.376 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 1 P-O3'-C3' 125.555 4.879 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.044 2.844 . 0.884 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 1 O4'-C1'-N19 112.723 4.523 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 99.942 -2.758 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 0 O4'-C1'-N19 111.204 3.004 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 113.16 24.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.599 0.76 . . . . 0.0 108.997 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.38 121.15 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.54 158.06 23.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.932 0.893 . . . . 0.0 109.452 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 m -125.02 100.9 6.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.66 137.41 53.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.861 0.864 . . . . 0.0 110.729 -167.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -99.08 160.87 13.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.358 0.663 . . . . 0.0 110.176 -172.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.3 m -64.32 138.17 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 121.492 -0.755 . . . . 0.0 111.64 -173.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.21 -7.87 78.01 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.472 1.034 . . . . 0.0 114.681 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -85.83 166.95 15.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 119.433 1.617 . . . . 0.0 112.672 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -132.91 140.09 47.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.924 0.89 . . . . 0.0 111.584 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.421 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 23.4 mm -114.8 151.22 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 125.367 1.467 . . . . 0.0 108.881 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -124.55 136.58 54.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.932 0.893 . . . . 0.0 110.149 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -130.87 130.84 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.1 0.96 . . . . 0.0 109.806 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 -127.46 27.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -127.29 -2.19 6.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.941 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.65 -3.15 0.81 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -168.427 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.05 134.01 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 119.484 1.038 . . . . 0.0 110.638 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 146.25 51.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.773 0.829 . . . . 0.0 109.635 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -130.49 127.37 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.402 1.081 . . . . 0.0 108.562 -172.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -127.45 130.33 49.08 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.916 0.78 . . . . 0.0 111.004 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -83.72 111.17 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -32.35 59.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.33 -170.93 31.6 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 115.234 0.853 . . . . 0.0 115.234 165.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 21.7 m -88.0 157.16 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 C-N-CA 123.929 0.892 . . . . 0.0 112.333 -169.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -142.04 60.92 1.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.136 1.374 . . . . 0.0 109.448 169.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.94 -122.52 16.52 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -172.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -79.9 -0.86 36.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.164 0.586 . . . . 0.0 112.123 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -98.86 159.91 14.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.057 0.932 . . . . 0.0 110.906 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -140.24 125.35 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 126.109 1.764 . . . . 0.0 107.757 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -107.8 101.98 11.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.644 0.378 . . . . 0.0 110.424 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -114.15 137.19 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 125.16 1.384 . . . . 0.0 110.271 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.23 138.85 14.19 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.349 0.976 . . . . 0.0 111.622 169.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.71 134.48 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.269 1.427 . . . . 0.0 108.269 172.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -120.02 75.55 1.1 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.704 1.202 . . . . 0.0 109.259 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.76 153.03 45.22 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 114.242 -1.345 . . . . 0.0 110.474 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.35 153.92 56.03 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.57 2.18 . . . . 0.0 110.531 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.32 -5.13 17.04 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -68.77 -26.13 65.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.007 0.923 . . . . 0.0 112.198 169.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.16 144.1 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 122.044 0.926 . . . . 0.0 111.984 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.93 143.08 31.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.365 1.066 . . . . 0.0 111.454 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 t -129.53 117.46 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.814 0.845 . . . . 0.0 109.532 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -151.38 156.19 40.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.365 0.666 . . . . 0.0 111.614 -175.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 160.14 31.19 Favored 'General case' 0 C--O 1.227 -0.096 0 O-C-N 121.974 -0.453 . . . . 0.0 110.347 171.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.92 -27.73 68.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.792 -0.568 . . . . 0.0 111.991 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.38 -1.86 35.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.78 -30.15 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.214 1.005 . . . . 0.0 111.219 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.95 -31.6 72.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.142 -0.974 . . . . 0.0 110.414 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -75.44 -12.15 60.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.851 0.46 . . . . 0.0 111.833 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -33.61 33.62 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.032 0.933 . . . . 0.0 110.69 169.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.19 -52.44 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.868 0.867 . . . . 0.0 108.925 171.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 66.6 mm-40 -83.95 5.09 26.83 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.553 0.741 . . . . 0.0 112.304 -175.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.61 -24.89 64.18 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.584 0.354 . . . . 0.0 110.993 168.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.19 2.53 0.06 OUTLIER Glycine 0 CA--C 1.525 0.696 0 C-N-CA 123.835 0.731 . . . . 0.0 113.201 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 13.5 mt -86.31 90.59 8.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.625 1.212 . . . . 0.0 107.754 -174.446 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.5 p 153.28 -22.78 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 127.999 2.52 . . . . 0.0 110.582 -169.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.81 156.76 6.24 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.749 1.22 . . . . 0.0 113.824 -168.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.58 -32.08 34.01 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 124.246 3.297 . . . . 0.0 114.086 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.976 0.417 . . . . 0.0 111.434 -179.177 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -101.27 117.53 35.17 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.89 138.04 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.106 0.479 . . . . 0.0 111.622 -167.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.71 140.17 50.33 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.73 1.212 . . . . 0.0 110.086 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -105.78 100.98 10.52 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.52 151.62 33.03 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.239 1.015 . . . . 0.0 111.077 -170.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.441 ' H ' ' HG3' ' B' ' 10' ' ' GLU . 17.0 ptpt -91.0 164.29 14.02 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.904 0.383 . . . . 0.0 111.919 174.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 m -58.79 130.5 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.958 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.46 -3.43 57.86 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 118.646 -1.086 . . . . 0.0 115.53 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . 0.441 ' HG3' ' H ' ' B' ' 7' ' ' LYS . 2.1 mt-10 -74.57 158.25 34.05 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.987 1.894 . . . . 0.0 111.548 175.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -126.3 147.96 49.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.62 0.768 . . . . 0.0 111.131 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mm -133.91 150.09 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 125.986 1.714 . . . . 0.0 108.732 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -124.59 138.77 54.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.601 1.161 . . . . 0.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -129.06 130.04 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.774 0.829 . . . . 0.0 109.567 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.2 -133.49 52.36 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -174.032 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.59 5.01 6.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.748 0.819 . . . . 0.0 112.816 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.09 -18.2 10.11 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.26 136.68 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 119.258 0.935 . . . . 0.0 111.569 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -133.08 145.63 50.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.879 1.272 . . . . 0.0 109.962 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 mm -129.94 139.41 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 125.054 1.342 . . . . 0.0 109.162 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.35 128.42 37.61 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.5 0.72 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -85.11 106.07 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.87 -32.07 51.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.199 -0.313 . . . . 0.0 110.544 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 177.55 32.83 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.95 141.36 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.102 0.477 . . . . 0.0 110.328 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -114.92 72.56 0.79 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.667 1.187 . . . . 0.0 107.915 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -117.03 4.55 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.477 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.96 8.9 42.43 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.174 -0.604 . . . . 0.0 111.029 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.96 155.44 17.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.122 0.969 . . . . 0.0 110.126 170.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 t -136.55 113.56 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -170.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.69 117.42 25.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 0.0 109.598 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.51 127.26 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.924 0.89 . . . . 0.0 110.343 -169.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.34 137.04 14.13 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -125.21 128.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -129.21 84.68 2.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.326 -167.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.17 154.83 78.78 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.019 -1.446 . . . . 0.0 109.524 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -58.79 151.86 61.22 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.516 1.477 . . . . 0.0 109.264 168.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -70.47 -0.87 9.23 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 122.089 0.947 . . . . 0.0 111.79 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.79 -21.74 66.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.962 1.705 . . . . 0.0 110.984 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 m -124.92 144.08 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.128 1.371 . . . . 0.0 109.513 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.437 ' HB2' ' HE2' ' B' ' 43' ' ' HIS . . . -88.6 143.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.184 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.99 116.88 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 124.269 1.028 . . . . 0.0 109.712 169.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.513 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -147.26 164.8 32.05 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 124.854 1.262 . . . . 0.0 110.395 169.502 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.85 156.11 37.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 122.281 -0.262 . . . . 0.0 110.803 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.31 -39.1 66.68 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.396 0.678 . . . . 0.0 111.956 -175.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -50.09 -45.63 52.81 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.771 0.428 . . . . 0.0 110.959 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 mm -77.22 -48.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 125.527 1.531 . . . . 0.0 110.2 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -51.43 -35.55 39.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.301 1.041 . . . . 0.0 111.629 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.33 -22.59 62.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -176.271 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -81.9 -38.81 24.75 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.283 0.947 . . . . 0.0 110.451 169.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -63.78 -40.92 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 31.9 mm-40 -80.26 5.02 15.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.53 -19.76 45.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.087 0.555 . . . . 0.0 111.385 168.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 47.04 0.08 OUTLIER Glycine 0 C--N 1.338 0.69 0 CA-C-O 119.418 -0.657 . . . . 0.0 114.447 168.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.06 -176.53 2.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.998 0.899 . . . . 0.0 112.865 -168.341 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.0 p -126.42 -177.6 4.04 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.536 1.535 . . . . 0.0 109.387 168.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.78 121.46 2.83 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.13 0.972 . . . . 0.0 111.503 179.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -66.5 173.59 7.51 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.916 1.744 . . . . 0.0 114.899 -169.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 125.481 1.513 . . . . 0.0 112.984 -178.116 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpp . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.495 -0.288 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.77 105.63 14.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 167.289 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.32 134.93 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.093 0.957 . . . . 0.0 109.536 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -126.66 134.9 50.62 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.566 0.746 . . . . 0.0 109.225 168.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.1 p -93.74 143.35 26.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 169.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.473 ' HE ' ' C ' ' C' ' 10' ' ' GLU . 1.4 mtp-105 -146.09 163.97 33.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 173.053 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm -98.58 161.22 13.78 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.141 0.577 . . . . 0.0 109.701 172.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.72 134.27 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 120.901 0.381 . . . . 0.0 111.362 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.21 -6.8 72.34 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.81 1.195 . . . . 0.0 114.388 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . 0.473 ' C ' ' HE ' ' C' ' 6' ' ' ARG . 47.3 mm-40 -90.38 174.06 7.77 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.077 1.439 . . . . 0.0 112.34 -174.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -132.83 154.21 50.53 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 29.9 mt -135.42 160.19 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 127.461 2.304 . . . . 0.0 108.702 177.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -128.29 147.1 50.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.254 1.021 . . . . 0.0 111.97 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -134.32 142.67 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.84 1.256 . . . . 0.0 109.131 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.01 -137.52 40.36 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -123.63 10.08 9.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.768 0.827 . . . . 0.0 110.939 169.1 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.51 -8.35 4.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.676 1.19 . . . . 0.0 112.968 -169.659 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.62 136.85 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.568 0.747 . . . . 0.0 110.624 -174.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -122.3 143.51 49.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -121.83 136.92 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.999 1.32 . . . . 0.0 108.311 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -128.52 134.25 48.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.013 0.525 . . . . 0.0 109.594 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 9.1 tp -99.21 113.18 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 174.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.52 -42.85 12.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.14 -166.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.47 174.09 40.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.278 -0.963 . . . . 0.0 114.341 168.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.96 144.24 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.39 0.676 . . . . 0.0 110.35 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -140.94 100.21 3.77 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -140.03 25.24 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.397 -169.182 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.59 1.76 44.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.124 0.97 . . . . 0.0 110.933 168.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 145.4 26.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.703 1.201 . . . . 0.0 110.169 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -134.97 120.01 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -80.29 115.43 19.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -112.78 139.41 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 126.011 1.724 . . . . 0.0 109.267 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 139.13 15.12 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.178 0.894 . . . . 0.0 111.765 172.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -125.29 123.79 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.207 1.003 . . . . 0.0 108.91 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -117.26 100.85 7.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.165 0.586 . . . . 0.0 110.051 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 154.23 62.72 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.243 1.017 . . . . 0.0 110.027 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.09 152.05 78.01 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.781 2.321 . . . . 0.0 111.121 172.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -65.15 -0.87 1.86 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.374 0.67 . . . . 0.0 112.663 172.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.97 -23.49 66.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.464 1.106 . . . . 0.0 111.443 169.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -121.55 147.07 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.107 0.963 . . . . 0.0 110.366 174.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 154.78 21.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.774 0.429 . . . . 0.0 111.265 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.97 130.13 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 122.956 0.502 . . . . 0.0 109.741 169.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -156.7 158.15 36.43 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.246 0.475 . . . . 0.0 112.155 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -74.44 158.03 34.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 165.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.85 -32.28 73.74 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.37 -20.57 63.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mm -95.74 -34.57 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.507 0.723 . . . . 0.0 110.753 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -51.73 -36.46 47.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.79 0.836 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -59.46 -28.9 67.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.701 0.8 . . . . 0.0 112.471 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -70.52 -37.35 74.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.348 0.659 . . . . 0.0 111.787 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.35 -19.87 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -94.38 -9.81 34.58 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.847 0.859 . . . . 0.0 112.695 173.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.74 -27.1 31.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.027 0.931 . . . . 0.0 111.927 174.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 101.33 140.17 11.09 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 124.073 0.844 . . . . 0.0 111.619 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.26 13.5 0.86 Allowed 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.907 0.883 . . . . 0.0 112.743 -169.652 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -61.66 139.51 58.28 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.459 0.704 . . . . 0.0 110.792 -174.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 51.28 75.14 0.69 Allowed Pre-proline 0 N--CA 1.454 -0.245 0 C-N-CA 124.776 1.231 . . . . 0.0 111.613 -169.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -53.76 132.56 50.0 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.764 2.976 . . . . 0.0 112.82 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 126.378 1.871 . . . . 0.0 114.942 173.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 5.0 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.06 111.95 21.87 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.545 1.538 . . . . 0.0 107.845 168.452 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -101.79 140.05 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.982 1.313 . . . . 0.0 109.573 -178.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -155.17 158.54 39.1 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.919 0.888 . . . . 0.0 110.406 169.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -90.46 148.0 23.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.106 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -139.04 145.34 39.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.648 0.779 . . . . 0.0 109.016 166.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -80.08 158.89 26.31 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.042 0.449 . . . . 0.0 110.163 171.58 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.42 138.32 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.457 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.37 -3.42 83.89 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.168 0.89 . . . . 0.0 113.956 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -88.98 169.2 11.73 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 1.254 . . . . 0.0 112.03 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -130.24 156.79 44.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.949 0.9 . . . . 0.0 112.151 -172.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 56.7 mt -146.62 160.57 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.657 1.983 . . . . 0.0 108.687 -170.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -134.11 150.61 51.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.298 1.039 . . . . 0.0 112.255 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -135.14 135.27 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.115 1.366 . . . . 0.0 109.267 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 -133.61 48.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 9.97 5.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 112.325 171.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -127.85 -17.02 4.55 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.39 130.96 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.993 0.815 . . . . 0.0 110.489 -171.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -115.43 145.41 42.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.797 0.839 . . . . 0.0 109.876 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -129.2 140.44 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.955 1.302 . . . . 0.0 108.268 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -137.37 130.88 31.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -86.61 103.91 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.3 mt -78.16 -30.46 49.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.315 0.646 . . . . 0.0 110.584 -172.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.64 -173.62 40.58 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-O 120.805 0.114 . . . . 0.0 112.966 170.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.98 159.42 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.921 0.888 . . . . 0.0 110.398 168.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -141.76 77.08 1.57 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 169.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.97 -114.48 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -88.43 -6.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.512 0.725 . . . . 0.0 110.005 172.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -74.72 149.28 39.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.136 0.493 . . . . 0.0 112.167 173.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 31.2 t -129.21 119.12 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -94.89 112.04 23.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.652 1.181 . . . . 0.0 108.386 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.41 128.2 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.379 0.672 . . . . 0.0 110.202 -168.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.37 135.55 12.77 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.81 140.54 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.985 0.914 . . . . 0.0 108.811 171.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -137.97 90.01 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.339 0.656 . . . . 0.0 109.509 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.4 155.34 54.06 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 124.393 1.077 . . . . 0.0 110.02 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.89 150.84 87.18 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.185 1.923 . . . . 0.0 110.466 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -68.86 -1.42 7.19 Favored 'General case' 0 CA--C 1.526 0.025 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.55 -20.94 66.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.581 1.152 . . . . 0.0 111.587 168.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -128.12 160.01 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.261 1.024 . . . . 0.0 110.863 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.13 157.04 16.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.547 0.739 . . . . 0.0 112.675 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.23 124.67 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.869 -0.52 . . . . 0.0 109.613 168.095 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -149.0 160.63 43.13 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 111.87 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -65.66 154.15 39.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 168.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.35 -35.22 71.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.417 0.553 . . . . 0.0 112.292 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.46 -55.95 28.22 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.255 0.622 . . . . 0.0 110.94 170.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -64.15 -42.71 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 124.02 0.928 . . . . 0.0 109.993 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -49.4 -42.72 43.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.52 1.528 . . . . 0.0 112.241 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.19 -20.93 63.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.9 -50.93 12.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.98 0.809 . . . . 0.0 109.572 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 4.8 mp -62.11 -18.78 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.137 1.375 . . . . 0.0 111.965 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -95.44 -32.5 12.87 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 171.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.03 -16.29 13.1 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -169.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.3 -8.2 0.21 Allowed Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.132 0.872 . . . . 0.0 113.51 -172.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 55.14 57.11 5.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 127.519 2.327 . . . . 0.0 112.05 169.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 50.3 p -73.97 -37.49 64.47 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.387 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.38 79.06 73.85 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 125.207 1.403 . . . . 0.0 108.341 169.242 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -53.75 -44.31 50.25 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.924 3.083 . . . . 0.0 112.746 -169.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.608 1.163 . . . . 0.0 110.497 -170.232 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.37 119.85 30.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.984 0.913 . . . . 0.0 109.634 -173.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.92 136.22 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.001 0.92 . . . . 0.0 109.737 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -132.46 163.41 28.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.765 1.626 . . . . 0.0 110.485 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -133.65 98.63 4.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 167.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -104.94 154.81 19.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.684 1.193 . . . . 0.0 109.673 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -110.2 171.59 7.36 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.05 0.841 . . . . 0.0 113.166 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.09 128.31 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.942 -169.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.94 67.98 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.245 0.926 . . . . 0.0 113.86 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -91.55 168.76 11.28 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.443 1.121 . . . . 0.0 111.077 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -132.13 159.51 38.72 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -168.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 24.0 mt -143.85 156.86 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 126.739 2.016 . . . . 0.0 107.682 -175.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -137.95 149.33 46.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.564 -0.71 . . . . 0.0 112.831 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -136.62 138.65 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.905 1.282 . . . . 0.0 109.027 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.6 -134.91 49.75 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.98 10.03 6.93 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.264 1.026 . . . . 0.0 111.675 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.1 -7.72 1.36 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.56 134.19 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.79 0.723 . . . . 0.0 110.492 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -126.88 143.77 51.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.47 1.108 . . . . 0.0 110.03 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.87 138.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.057 1.343 . . . . 0.0 108.083 173.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -132.03 126.39 33.79 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.38 0.672 . . . . 0.0 109.204 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.8 108.34 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -72.77 -41.73 64.74 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.301 -0.874 . . . . 0.0 110.895 -169.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.82 178.78 36.93 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 123.413 0.53 . . . . 0.0 113.076 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -106.77 158.89 6.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.364 0.666 . . . . 0.0 112.267 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.12 90.88 1.79 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.854 1.262 . . . . 0.0 109.361 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.07 -113.46 5.41 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -93.94 -20.37 20.06 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 117.252 0.526 . . . . 0.0 111.749 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.28 139.0 49.83 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.238 0.542 . . . . 0.0 109.677 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 114.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -83.43 125.79 32.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.6 130.95 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.418 0.687 . . . . 0.0 109.399 -169.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.9 139.74 14.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.061 0.838 . . . . 0.0 111.334 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.39 133.41 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.929 1.291 . . . . 0.0 109.08 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -134.29 99.0 4.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.612 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.09 155.58 78.93 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.657 1.183 . . . . 0.0 110.533 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.12 158.24 35.64 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.669 2.246 . . . . 0.0 111.811 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -68.31 -0.87 5.27 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.557 0.743 . . . . 0.0 112.637 169.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.03 -25.03 67.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.109 1.364 . . . . 0.0 111.944 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.61 157.6 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.1 0.96 . . . . 0.0 111.026 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.42 20.49 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.714 172.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.06 124.91 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.873 0.469 . . . . 0.0 110.261 168.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -149.7 166.18 30.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.271 1.028 . . . . 0.0 110.206 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -78.74 161.61 26.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.685 -0.635 . . . . 0.0 109.95 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.09 -22.81 61.41 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.28 -49.54 69.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.143 0.977 . . . . 0.0 111.654 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.98 -33.17 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.591 0.756 . . . . 0.0 109.929 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.406 0.683 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -69.17 -26.53 64.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.219 0.608 . . . . 0.0 112.571 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.36 -23.03 61.83 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.364 0.666 . . . . 0.0 110.716 176.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.31 -46.99 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.153 0.981 . . . . 0.0 109.635 -171.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -71.28 3.04 3.97 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -24.46 65.27 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.853 0.861 . . . . 0.0 112.389 169.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.73 32.53 0.04 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.521 -0.6 . . . . 0.0 113.747 169.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -158.05 -179.2 7.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.012 0.906 . . . . 0.0 111.497 -169.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 5.6 m -134.46 -37.68 0.85 Allowed 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.166 0.586 . . . . 0.0 111.665 171.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . 0.632 ' H ' ' CD ' ' E' ' 58' ' ' PRO . . . -142.54 -25.48 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 125.292 1.437 . . . . 0.0 114.133 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . 0.632 ' CD ' ' H ' ' E' ' 57' ' ' ALA . 37.2 Cg_exo -72.39 -177.53 2.78 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 121.565 1.51 . . . . 0.0 114.009 -178.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t0 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 124.662 1.185 . . . . 0.0 112.494 -178.083 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.755 -0.091 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.17 148.81 23.71 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.025 0.53 . . . . 0.0 111.153 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.2 127.05 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 171.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.86 155.87 28.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.594 1.558 . . . . 0.0 109.305 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.13 103.39 8.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -116.49 126.24 53.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.538 -170.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -88.73 165.86 14.44 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 119.117 0.871 . . . . 0.0 112.787 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.4 m -58.06 135.7 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.287 -171.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.97 -9.31 72.99 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.348 0.975 . . . . 0.0 113.873 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -96.44 172.32 8.01 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.804 1.302 . . . . 0.0 112.27 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 64.4 m -131.24 160.43 34.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -169.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -138.65 156.26 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.154 2.182 . . . . 0.0 107.852 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -131.74 149.36 52.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.382 -0.824 . . . . 0.0 112.431 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.63 141.47 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.599 1.16 . . . . 0.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -139.14 47.94 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -122.24 10.03 9.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.087 0.955 . . . . 0.0 112.452 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -134.61 -20.71 1.78 Allowed 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -96.97 136.81 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 119.267 0.939 . . . . 0.0 110.755 -170.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m -125.35 142.05 51.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.009 0.924 . . . . 0.0 110.392 173.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.81 140.25 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.737 1.615 . . . . 0.0 108.169 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -136.26 128.1 29.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.054 0.542 . . . . 0.0 109.839 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -81.34 111.34 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.0 -28.08 26.0 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.416 0.686 . . . . 0.0 111.217 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.15 -172.35 35.84 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.076 0.369 . . . . 0.0 113.485 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.71 159.56 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.281 0.632 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -149.16 91.19 1.81 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.927 1.291 . . . . 0.0 109.229 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.49 -103.01 1.45 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -101.94 -16.74 16.42 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 117.417 0.609 . . . . 0.0 111.992 170.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.54 145.8 47.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.647 0.737 . . . . 0.0 109.485 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -140.57 106.88 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -84.63 127.47 34.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.632 0.773 . . . . 0.0 109.013 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.43 140.58 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.964 0.906 . . . . 0.0 110.352 -168.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 138.63 14.93 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.096 0.855 . . . . 0.0 111.014 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.29 138.83 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.178 0.991 . . . . 0.0 109.79 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -132.2 106.44 7.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.136 0.974 . . . . 0.0 109.346 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.35 157.97 76.61 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 111.324 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -65.61 162.71 33.05 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.051 2.501 . . . . 0.0 112.135 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -70.28 -7.73 44.72 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.467 0.707 . . . . 0.0 112.611 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.7 -18.13 64.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.853 1.261 . . . . 0.0 112.395 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -130.01 162.85 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 111.148 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.55 164.28 12.14 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.546 0.739 . . . . 0.0 111.34 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.35 129.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.522 0.729 . . . . 0.0 110.111 170.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -151.41 174.13 13.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.271 1.029 . . . . 0.0 110.217 175.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -74.33 159.57 32.22 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -62.43 -21.96 65.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.33 -50.74 72.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.776 0.83 . . . . 0.0 111.304 172.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -79.68 -31.82 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.091 0.556 . . . . 0.0 109.586 -171.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -53.2 -35.22 59.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.991 0.916 . . . . 0.0 112.896 177.478 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.59 -22.04 66.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.101 0.56 . . . . 0.0 112.351 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -82.46 -34.6 28.06 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.183 0.593 . . . . 0.0 110.706 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mm -58.35 -49.14 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 124.02 0.928 . . . . 0.0 110.118 172.185 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -85.04 3.07 40.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.479 1.112 . . . . 0.0 112.886 -171.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -13.82 61.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 174.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.86 50.81 0.13 Allowed Glycine 0 C--N 1.338 0.665 0 CA-C-O 119.631 -0.539 . . . . 0.0 112.913 170.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -154.04 -51.92 0.1 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -169.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 1.3 m 50.26 22.9 1.06 Allowed 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.184 1.394 . . . . 0.0 113.564 -168.395 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.69 124.89 2.23 Favored Pre-proline 0 N--CA 1.452 -0.342 0 C-N-CA 124.032 0.933 . . . . 0.0 109.841 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -51.41 134.3 44.97 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.963 2.442 . . . . 0.0 112.367 172.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.53 0.185 0 C-N-CA 124.523 1.129 . . . . 0.0 113.808 172.436 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 1 O4'-C1'-N19 112.241 4.041 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.572 3.372 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 112.865 4.665 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.967 3.767 . 0.267 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 O4'-C1'-N19 111.329 3.129 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-O4' 114.57 3.836 . 0.03 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.55 " H3'" ' C2 ' ' G' ' 7' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.15 2 C5'-C4'-C3' 106.967 -5.689 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 111.661 3.461 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 O5'-C5'-C4' 113.92 2.657 . 0.028 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C3'-C2'-C1' 104.783 3.648 . 0.256 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 O4'-C1'-N19 111.509 3.309 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 C5'-C4'-C3' 111.279 -2.814 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 C5'-C4'-C3' 108.797 -4.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 100.18 -2.52 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.894 3.694 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 0 O4'-C1'-N19 111.639 3.439 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.526 3.326 . 0.807 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 112.314 4.114 . 0.741 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 O4'-C1'-N19 110.804 2.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 O4'-C1'-N19 111.696 3.496 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 O4'-C1'-N19 112.542 4.342 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 O4'-C1'-N19 110.789 2.589 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 1 O4'-C1'-N19 112.903 4.703 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 O4'-C1'-N19 112.095 3.895 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 N19-C1'-C2' 108.364 -3.148 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C1'-N19 110.963 2.763 . 0.428 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.513 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C5'-C4'-C3' 111.539 -2.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.343 0 C5'-C4'-C3' 112.014 -2.324 . 0.037 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 111.293 -2.805 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.53 3.33 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C4'-C3'-C2' 99.995 -2.705 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-N19 111.187 2.987 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 112.444 4.244 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C4'-C3'-C2' 98.965 -3.735 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 99.596 -3.104 . 0.188 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.648 3.448 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 1 O4'-C1'-N19 112.588 4.388 . 0.161 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 C5'-C4'-C3' 110.628 -3.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C3'-C2'-C1' 103.771 2.523 . 0.325 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 1 O4'-C1'-N19 113.055 4.855 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 C5'-C4'-C3' 109.589 -3.94 . 0.043 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 2 C3'-C2'-C1' 106.167 5.186 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 1 O4'-C1'-N19 113.793 5.593 . 0.061 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 O4'-C1'-N19 112.774 4.574 . 0.136 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.667 4.467 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C4'-C3'-C2' 99.207 -3.493 . 0.278 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 O4'-C1'-N19 112.537 4.337 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 0 C3'-C2'-C1' 105.005 3.895 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 1 C5'-C4'-C3' 108.179 -4.881 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.186 2.986 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 C5'-C4'-C3' 110.528 -3.315 . 0.382 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.518 1 O5'-C5'-C4' 117.08 4.914 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C5'-C4'-C3' 111.886 -2.409 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 O4'-C1'-N19 112.259 4.059 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 C4'-C3'-C2' 100.205 -2.495 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 O4'-C1'-N19 111.015 2.815 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 O4'-C1'-N19 110.387 2.187 . 0.274 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 112.125 3.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 112.138 3.938 . 0.067 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O4'-C1'-N19 111.237 3.037 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.473 3.273 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 O4'-C1'-N19 111.498 3.298 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 C5'-C4'-O4' 116.578 5.27 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 P-O3'-C3' 122.8 2.583 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.098 2.898 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 0 C5'-C4'-C3' 111.342 -2.772 . 0.164 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 2 C5'-C4'-C3' 105.362 -6.759 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 1 P-O3'-C3' 125.533 4.861 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.001 2.801 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 1 O4'-C1'-N19 112.512 4.312 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 111.14 2.94 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 110.99 2.79 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.81 115.75 31.06 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.456 0.702 . . . . 0.0 109.961 -175.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -101.24 137.76 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.925 0.89 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.54 161.34 34.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.386 1.075 . . . . 0.0 109.826 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.9 m -128.02 100.94 6.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -120.03 147.17 45.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.824 0.45 . . . . 0.0 110.776 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -104.35 160.66 14.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.834 0.853 . . . . 0.0 109.702 -170.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 60.9 t -47.66 128.9 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.726 0.41 . . . . 0.0 111.297 -178.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.62 -6.49 70.7 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.599 1.095 . . . . 0.0 114.002 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -91.14 172.09 8.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.529 1.164 . . . . 0.0 112.165 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -140.11 158.07 44.62 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -170.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.49 159.58 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 126.466 1.906 . . . . 0.0 109.561 173.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -131.21 139.13 49.64 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.372 1.069 . . . . 0.0 110.847 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.5 mt -132.57 131.07 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.449 1.099 . . . . 0.0 109.599 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.9 -125.24 18.98 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.92 -4.9 4.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.358 1.063 . . . . 0.0 111.762 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -138.1 -8.93 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -168.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -111.33 138.01 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 119.09 0.859 . . . . 0.0 110.489 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -139.77 142.16 36.77 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.215 1.006 . . . . 0.0 109.383 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -126.07 148.1 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.286 1.034 . . . . 0.0 109.083 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -138.89 138.65 37.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.738 0.815 . . . . 0.0 110.264 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -93.32 100.52 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.56 -26.73 60.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 0.0 110.6 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.7 -170.88 43.74 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.294 0.473 . . . . 0.0 113.236 169.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.83 157.04 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.503 0.721 . . . . 0.0 111.34 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -141.88 61.18 1.46 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.911 1.284 . . . . 0.0 109.622 -174.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.23 -121.04 6.85 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.41 -4.09 49.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.45 0.7 . . . . 0.0 111.813 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.87 159.18 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.836 0.827 . . . . 0.0 111.928 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -140.79 129.7 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 126.487 1.915 . . . . 0.0 108.184 -169.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -101.88 101.87 12.37 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.8 mt -108.88 139.97 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.583 1.153 . . . . 0.0 109.984 -170.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.84 142.29 13.58 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 123.43 0.538 . . . . 0.0 112.072 173.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.91 136.46 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.788 1.235 . . . . 0.0 108.987 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.57 82.43 1.88 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.722 1.209 . . . . 0.0 109.247 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.91 153.4 51.0 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.107 0.963 . . . . 0.0 110.407 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.26 157.92 41.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.657 2.238 . . . . 0.0 110.683 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -67.97 -1.3 5.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -31.02 71.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.821 0.849 . . . . 0.0 111.426 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.97 144.07 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.773 0.797 . . . . 0.0 111.248 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.03 143.02 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.667 0.787 . . . . 0.0 110.611 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -132.91 128.32 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -149.82 150.63 32.27 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.156 0.582 . . . . 0.0 110.915 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.61 159.29 27.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.585 0.354 . . . . 0.0 111.189 169.663 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -73.32 -24.01 60.33 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.097 -0.377 . . . . 0.0 111.89 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.52 -20.37 59.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.629 1.172 . . . . 0.0 112.671 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.03 -29.19 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.038 0.935 . . . . 0.0 111.391 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -61.02 -31.39 71.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 119.14 0.882 . . . . 0.0 110.719 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -76.56 -14.66 59.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.388 0.675 . . . . 0.0 112.043 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -81.42 -34.29 31.65 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.038 0.935 . . . . 0.0 110.944 169.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.6 -52.37 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 171.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.1 mm-40 -83.96 5.08 26.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.704 0.802 . . . . 0.0 112.519 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -31.48 68.66 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.366 0.266 . . . . 0.0 111.037 169.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.51 18.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.646 0 CA-C-O 119.098 -0.834 . . . . 0.0 113.272 172.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 16.2 mt -94.24 90.63 6.4 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 118.851 1.325 . . . . 0.0 108.121 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 163.05 169.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.089 0 C-N-CA 127.445 2.298 . . . . 0.0 107.811 -169.521 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.73 151.24 37.34 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 122.874 0.469 . . . . 0.0 110.113 167.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -75.11 -41.87 0.58 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.792 2.328 . . . . 0.0 112.228 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.454 -0.257 0 C-N-CA 122.829 0.452 . . . . 0.0 111.835 -169.889 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 tpp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 119.749 -0.167 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -123.98 112.17 16.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.329 1.452 . . . . 0.0 108.101 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.59 142.39 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.446 0.698 . . . . 0.0 111.486 -169.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.59 148.55 47.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.797 1.639 . . . . 0.0 110.311 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.3 m -107.44 117.6 34.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.56 154.79 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.559 1.544 . . . . 0.0 110.029 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -113.65 160.06 19.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.254 0.934 . . . . 0.0 110.617 166.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -59.18 129.57 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 121.455 0.645 . . . . 0.0 111.125 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.13 -5.64 63.38 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-O 118.902 -0.943 . . . . 0.0 115.139 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.18 169.28 14.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.381 1.591 . . . . 0.0 111.644 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -138.84 156.25 47.47 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.743 0.817 . . . . 0.0 112.17 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mm -131.59 152.97 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 126.41 1.884 . . . . 0.0 108.988 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -128.79 141.52 51.28 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.571 1.148 . . . . 0.0 110.481 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -130.68 130.74 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.241 1.016 . . . . 0.0 109.624 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.0 -133.55 52.66 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.58 4.57 8.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.682 0.793 . . . . 0.0 112.249 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.54 -17.79 7.99 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.603 0.761 . . . . 0.0 113.031 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.49 135.69 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.743 0.701 . . . . 0.0 110.611 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.0 m -131.71 147.7 52.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.425 1.09 . . . . 0.0 109.979 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -128.09 143.38 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.755 1.622 . . . . 0.0 108.103 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -135.68 130.69 34.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.115 0.566 . . . . 0.0 110.041 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.7 95.19 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.24 -34.28 78.0 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.936 -0.478 . . . . 0.0 110.983 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.1 179.37 37.57 Favored Glycine 0 C--N 1.335 0.526 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 173.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.27 148.1 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-O 121.062 0.458 . . . . 0.0 110.081 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -124.54 77.63 1.6 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.047 0.939 . . . . 0.0 108.474 170.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.02 -118.49 4.72 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -175.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.09 10.25 41.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.201 -0.588 . . . . 0.0 111.144 173.268 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.96 155.08 17.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.164 0.986 . . . . 0.0 109.959 169.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.98 113.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.065 0.546 . . . . 0.0 109.569 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.97 118.91 24.84 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.126 1.371 . . . . 0.0 109.612 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -129.29 131.28 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.258 1.023 . . . . 0.0 109.694 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.93 139.49 14.5 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 171.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -122.87 131.38 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.175 0.99 . . . . 0.0 109.036 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -132.56 75.17 1.61 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.332 -168.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.77 158.13 50.51 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.702 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.05 156.67 43.22 Favored 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 122.024 1.816 . . . . 0.0 111.38 169.607 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.09 -0.85 4.94 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.231 1.012 . . . . 0.0 112.114 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.84 -27.41 68.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.399 1.48 . . . . 0.0 111.184 171.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -111.83 144.08 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.695 1.198 . . . . 0.0 109.98 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.494 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -86.43 142.65 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.599 0.714 . . . . 0.0 111.014 169.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.69 96.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.032 -166.191 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.508 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -144.93 167.19 23.23 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.073 0.949 . . . . 0.0 110.558 178.284 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -72.86 162.26 29.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 169.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.98 -41.67 83.47 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.65 0.78 . . . . 0.0 112.495 -171.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -72.22 -3.37 23.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 121.335 -0.853 . . . . 0.0 113.279 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 mm -101.98 -50.13 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 123.708 0.803 . . . . 0.0 109.712 169.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -49.3 -38.84 28.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.444 1.498 . . . . 0.0 112.264 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.23 -23.22 62.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -76.55 -43.57 38.53 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.9 0.773 . . . . 0.0 109.899 170.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.3 mt -63.78 -37.73 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.459 0.704 . . . . 0.0 109.43 -173.238 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -81.09 1.14 32.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.25 -19.66 50.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.384 0.674 . . . . 0.0 111.764 169.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.2 50.24 0.09 OUTLIER Glycine 0 C--N 1.338 0.676 0 CA-C-O 119.589 -0.562 . . . . 0.0 114.049 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.95 -177.41 2.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.61 0.705 . . . . 0.0 112.387 -168.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 57.2 p -128.18 -172.2 2.63 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.339 1.456 . . . . 0.0 109.556 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.4 124.02 4.55 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.761 0.825 . . . . 0.0 111.312 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.69 171.43 5.77 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.844 2.362 . . . . 0.0 114.461 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.453 -0.281 0 C-N-CA 124.753 1.221 . . . . 0.0 113.078 -176.773 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.37 107.38 15.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 167.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.24 131.97 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.765 0.826 . . . . 0.0 109.069 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.75 138.97 53.45 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.04 0.936 . . . . 0.0 109.416 169.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -102.15 145.31 29.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.588 0.708 . . . . 0.0 111.196 169.279 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -138.89 145.27 39.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.532 1.133 . . . . 0.0 109.157 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -78.0 162.55 26.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 167.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.67 133.25 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 O-C-N 121.819 -0.551 . . . . 0.0 111.21 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.97 -2.19 87.0 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.782 1.182 . . . . 0.0 114.091 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.57 169.11 12.45 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.493 1.646 . . . . 0.0 111.853 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -129.23 158.2 39.7 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -168.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mt -136.77 159.01 37.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.745 2.418 . . . . 0.0 108.242 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -134.95 149.54 50.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.243 1.017 . . . . 0.0 112.051 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.27 140.24 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.643 1.177 . . . . 0.0 109.095 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -137.3 49.97 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -124.15 9.99 8.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.968 0.907 . . . . 0.0 111.442 169.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.41 -10.82 5.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.054 0.942 . . . . 0.0 112.824 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.65 133.34 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.678 0.672 . . . . 0.0 110.966 -173.052 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -120.01 148.0 44.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.596 1.158 . . . . 0.0 109.496 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.1 141.93 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.375 1.47 . . . . 0.0 107.986 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -134.52 127.82 32.13 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.95 -0.469 . . . . 0.0 110.144 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -85.89 110.1 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 168.784 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.79 -46.55 16.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.71 -0.619 . . . . 0.0 110.08 -171.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.6 178.75 48.16 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.221 -0.514 . . . . 0.0 113.539 169.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.76 152.85 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 121.395 0.617 . . . . 0.0 111.272 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.8 m -149.9 110.94 4.36 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 168.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.44 -142.01 29.58 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.463 -0.875 . . . . 0.0 110.983 -168.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -85.13 3.32 39.58 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.704 0.802 . . . . 0.0 111.331 167.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.65 139.24 30.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.174 1.39 . . . . 0.0 110.535 -175.271 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -125.19 118.29 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -81.81 118.45 22.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 mt -124.91 129.37 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.137 1.375 . . . . 0.0 109.823 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.59 15.13 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.483 1.992 . . . . 0.0 112.16 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' D' ' 1' ' ' MET . 73.4 mt -125.9 123.38 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.327 1.051 . . . . 0.0 109.552 175.465 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -116.24 99.5 7.26 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.751 0.82 . . . . 0.0 109.982 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.64 155.26 80.68 Favored Pre-proline 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 109.641 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.07 150.22 87.39 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.437 2.092 . . . . 0.0 110.715 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -66.33 -1.04 3.01 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.424 0.689 . . . . 0.0 112.439 173.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -25.29 67.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.627 1.171 . . . . 0.0 111.388 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.89 152.04 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.24 1.016 . . . . 0.0 110.672 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.11 153.11 21.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.48 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.78 131.43 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 168.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -153.16 154.18 34.24 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 122.694 0.398 . . . . 0.0 111.838 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -70.37 156.64 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 166.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -59.97 -34.53 73.41 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -168.182 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.55 -19.92 62.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.67 -31.41 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.777 0.831 . . . . 0.0 110.881 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -54.5 -41.68 69.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.648 -0.658 . . . . 0.0 111.815 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -58.35 -32.81 68.89 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.539 0.736 . . . . 0.0 112.346 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -71.84 -35.59 69.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.943 0.897 . . . . 0.0 111.548 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -70.12 -20.58 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 118.349 0.522 . . . . 0.0 110.722 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -89.46 -3.99 58.16 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.48 -17.12 27.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.641 0.777 . . . . 0.0 113.083 -174.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.78 130.61 4.34 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -102.04 -11.95 18.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.538 0.735 . . . . 0.0 112.274 -168.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m 55.18 34.02 21.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.893 1.277 . . . . 0.0 112.007 -172.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.35 83.63 5.93 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 124.006 0.923 . . . . 0.0 110.336 174.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.23 152.5 79.45 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.236 2.624 . . . . 0.0 112.623 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.531 0.229 0 C-N-CA 125.409 1.484 . . . . 0.0 113.443 171.967 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.425 ' CE ' ' C6 ' ' G' ' 67' ' ' ' C' 0.368 1.3 tpp . . . . . 0 N--CA 1.475 0.783 1 N-CA-C 98.625 -4.583 . . . . 0.0 98.625 . . . . . . . . . 3 2 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -105.96 100.26 9.82 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -167.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -91.32 135.9 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.445 1.098 . . . . 0.0 109.556 -175.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -136.23 162.8 31.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.016 1.326 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -112.72 113.94 26.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 165.385 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.04 144.6 43.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.744 0.418 . . . . 0.0 110.102 168.459 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -83.26 162.99 20.99 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 109.89 173.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.7 m -55.81 136.49 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.09 83.61 Favored Glycine 0 CA--C 1.526 0.776 0 CA-C-O 119.154 -0.803 . . . . 0.0 114.339 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -98.93 170.69 8.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.641 1.22 . . . . 0.0 111.556 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -132.99 160.02 38.34 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mt -142.0 165.04 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 126.651 1.98 . . . . 0.0 108.27 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -141.81 149.23 40.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.897 0.879 . . . . 0.0 112.267 -172.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -136.11 136.82 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.953 1.301 . . . . 0.0 108.99 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.34 -135.7 51.64 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -125.28 9.81 7.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.926 0.89 . . . . 0.0 111.777 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -132.27 -11.54 3.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 136.59 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.843 0.747 . . . . 0.0 110.703 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -129.11 145.17 51.35 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.769 1.228 . . . . 0.0 109.786 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -121.56 141.35 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.188 1.395 . . . . 0.0 108.111 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 55.7 m -136.01 120.85 18.57 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.433 0.693 . . . . 0.0 109.364 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -74.22 105.37 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.66 -31.69 62.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.87 -179.7 39.37 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 112.801 -0.119 . . . . 0.0 112.801 170.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -109.48 158.78 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 122.866 0.466 . . . . 0.0 110.929 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -142.83 74.78 1.46 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.685 1.194 . . . . 0.0 108.722 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.51 -117.19 4.4 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -82.46 -19.24 39.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.024 0.929 . . . . 0.0 110.629 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . 0.663 ' NE2' ' H42' ' G' ' 4' ' ' ' C' . 2.0 mm100 -74.22 138.15 43.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.085 0.469 . . . . 0.0 110.498 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.75 118.41 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -95.78 109.29 21.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.574 1.15 . . . . 0.0 108.832 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.15 119.84 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.531 0.732 . . . . 0.0 110.11 -169.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.4 131.66 10.73 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -120.61 140.17 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.57 154.69 47.86 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 124.581 1.152 . . . . 0.0 108.705 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -55.85 143.31 81.93 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 121.585 1.524 . . . . 0.0 109.536 169.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -66.6 -7.99 24.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.377 0.608 . . . . 0.0 112.582 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.97 -20.74 66.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.025 1.73 . . . . 0.0 112.79 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -121.55 160.05 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.081 0.952 . . . . 0.0 110.464 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.51 157.01 16.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.24 128.44 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.594 0.758 . . . . 0.0 109.426 168.335 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.81 173.98 14.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.671 0.789 . . . . 0.0 111.689 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -72.68 161.25 31.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 167.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.53 -41.47 97.37 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.53 -0.731 . . . . 0.0 111.618 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.41 -43.24 44.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.435 1.094 . . . . 0.0 112.289 171.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . 0.496 ' CG2' " H1'" ' G' ' 7' ' ' ' C' . 26.1 mm -84.53 -42.04 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.618 1.167 . . . . 0.0 111.622 -168.561 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -47.76 -36.5 11.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.022 1.329 . . . . 0.0 112.195 -177.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.62 -26.59 65.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.084 1.353 . . . . 0.0 112.998 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -80.1 -48.08 13.8 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.885 0.766 . . . . 0.0 110.998 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.419 ' CD1' ' H ' ' D' ' 51' ' ' ILE . 4.8 mp -61.57 -18.84 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.824 1.649 . . . . 0.0 111.42 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -104.4 -4.31 22.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.97 -45.12 3.5 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.374 1.07 . . . . 0.0 113.38 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.73 -4.01 0.03 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 115.048 0.779 . . . . 0.0 115.048 -173.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 75.43 144.91 0.08 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 127.582 2.353 . . . . 0.0 113.041 167.467 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 3.3 p -137.26 -30.93 0.83 Allowed 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -169.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.96 99.54 8.22 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 123.333 0.653 . . . . 0.0 109.88 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -66.21 175.83 4.51 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.997 2.465 . . . . 0.0 114.134 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.205 176.441 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 119.736 -0.174 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -136.94 119.86 16.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.515 0.726 . . . . 0.0 109.498 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 mm -102.15 140.14 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.968 0.907 . . . . 0.0 110.397 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.3 161.38 36.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.206 1.403 . . . . 0.0 110.575 -177.184 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 127.74 35.92 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 168.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -135.69 126.86 28.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.155 0.982 . . . . 0.0 110.126 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -89.63 164.39 14.76 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.484 1.038 . . . . 0.0 112.207 173.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -56.6 140.19 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.903 -173.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.4 -6.3 83.73 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.015 0.817 . . . . 0.0 114.223 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.57 177.32 5.85 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.782 1.291 . . . . 0.0 111.643 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 22.7 m -139.14 157.52 45.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.19 150.36 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 126.742 2.017 . . . . 0.0 108.366 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -125.86 150.29 47.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.48 0.657 . . . . 0.0 112.394 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 51.1 mt -135.47 134.08 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.793 1.237 . . . . 0.0 109.259 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.06 -134.89 52.26 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -174.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.87 10.09 5.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.223 1.009 . . . . 0.0 112.146 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -126.28 -12.02 6.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.21 132.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 119.082 0.855 . . . . 0.0 110.909 -171.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 17.1 m -125.55 143.46 51.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.292 1.037 . . . . 0.0 110.188 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -122.51 136.88 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.219 1.408 . . . . 0.0 108.388 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 21.3 m -132.38 123.55 26.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.203 0.601 . . . . 0.0 109.828 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.0 99.78 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 175.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.86 -30.04 68.47 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.782 0.433 . . . . 0.0 110.724 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.4 -178.24 32.14 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.972 0.796 . . . . 0.0 112.929 169.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -103.59 152.77 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.134 0.574 . . . . 0.0 111.188 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -144.21 90.03 2.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.485 1.114 . . . . 0.0 108.978 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -128.25 32.48 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -169.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -81.65 -21.17 38.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.505 0.652 . . . . 0.0 112.005 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.11 149.15 49.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.302 0.641 . . . . 0.0 109.845 173.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.83 121.41 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -93.66 123.07 36.74 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.081 0.552 . . . . 0.0 110.0 -175.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.51 131.25 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.277 0.631 . . . . 0.0 110.644 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.35 143.22 16.4 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.35 0.976 . . . . 0.0 111.381 170.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -133.49 128.23 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.868 1.267 . . . . 0.0 108.606 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -130.42 98.98 4.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -170.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.11 155.51 74.35 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.614 1.166 . . . . 0.0 110.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.41 158.48 35.84 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.833 2.356 . . . . 0.0 111.933 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -68.58 -1.04 5.88 Favored 'General case' 0 N--CA 1.458 -0.043 0 C-N-CA 123.376 0.67 . . . . 0.0 112.646 169.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.85 -23.59 67.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.72 1.208 . . . . 0.0 111.432 169.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.11 153.67 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.424 1.089 . . . . 0.0 110.327 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.02 158.67 17.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.466 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.09 129.85 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 121.942 -0.474 . . . . 0.0 110.747 169.689 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -152.69 167.65 28.25 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.746 0.818 . . . . 0.0 111.547 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtm105 -71.69 159.74 33.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 167.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -18.98 65.67 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -43.63 91.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.854 0.862 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.8 -37.92 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.342 0.657 . . . . 0.0 109.813 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.42 -36.24 53.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.58 0.752 . . . . 0.0 112.446 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.44 -21.88 62.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.969 0.908 . . . . 0.0 112.71 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.73 -47.58 45.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.194 0.598 . . . . 0.0 109.478 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.7 mp -63.31 -22.9 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 125.145 1.378 . . . . 0.0 110.586 -179.287 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -85.3 -42.34 14.71 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 169.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.26 -31.57 9.03 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -166.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.27 -19.58 1.71 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.961 0.791 . . . . 0.0 113.106 -169.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 59.76 -169.08 0.15 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 127.556 2.343 . . . . 0.0 112.301 169.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 31.7 p -78.7 -18.02 54.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.59 127.34 10.98 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 124.308 1.043 . . . . 0.0 109.463 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -56.08 -42.9 61.73 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.373 2.715 . . . . 0.0 113.299 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 123.274 0.63 . . . . 0.0 110.891 -169.482 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 110.827 -0.064 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.3 150.01 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.844 0.458 . . . . 0.0 111.345 173.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.19 132.37 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 169.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.66 157.63 41.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.696 1.198 . . . . 0.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -132.78 96.95 3.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.741 0.246 . . . . 0.0 110.378 169.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 160.86 24.46 Favored 'General case' 0 N--CA 1.46 0.05 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -102.51 174.52 5.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -169.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -59.74 137.96 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.053 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -3.84 85.31 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 119.27 -0.739 . . . . 0.0 114.471 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.21 179.42 6.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.776 1.288 . . . . 0.0 111.883 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -144.66 155.87 43.81 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.035 0.934 . . . . 0.0 112.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mt -135.31 155.76 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 125.939 1.696 . . . . 0.0 108.017 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -131.46 146.03 52.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.586 -0.696 . . . . 0.0 111.636 -172.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.68 140.81 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.592 1.157 . . . . 0.0 109.225 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.75 -135.5 51.9 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -127.18 10.08 6.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.154 0.982 . . . . 0.0 112.246 170.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -130.27 -19.73 3.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.61 137.27 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 119.118 0.872 . . . . 0.0 110.767 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -136.24 142.66 44.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.35 1.06 . . . . 0.0 110.541 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -116.3 142.21 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.715 1.606 . . . . 0.0 108.213 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 35.0 m -136.69 134.25 37.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.005 0.922 . . . . 0.0 109.737 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -95.29 113.03 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.6 -28.45 37.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.538 0.335 . . . . 0.0 110.535 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.56 -169.2 32.26 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.017 0.342 . . . . 0.0 113.315 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.91 159.96 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.32 0.648 . . . . 0.0 111.909 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -148.88 96.9 2.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.426 1.09 . . . . 0.0 109.187 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.64 -102.96 1.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -102.34 -18.7 15.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.071 0.548 . . . . 0.0 112.1 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.88 144.67 47.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.104 0.562 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.96 112.34 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -87.76 125.49 34.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.67 130.51 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.164 0.986 . . . . 0.0 109.996 -168.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.58 139.12 14.27 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 169.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -126.01 136.35 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.952 0.901 . . . . 0.0 108.814 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -129.49 107.9 9.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.866 0.866 . . . . 0.0 109.172 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.28 158.5 72.24 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.687 0.795 . . . . 0.0 111.301 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.84 161.75 34.96 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.935 2.423 . . . . 0.0 112.186 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.27 -11.57 57.85 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.713 0.805 . . . . 0.0 112.735 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.96 -20.19 66.35 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.125 1.37 . . . . 0.0 112.711 175.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.13 163.95 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.655 0.782 . . . . 0.0 111.407 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.75 162.86 13.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.551 0.74 . . . . 0.0 111.579 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.04 115.36 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.251 0.62 . . . . 0.0 110.642 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -154.11 173.84 15.52 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.063 0.945 . . . . 0.0 110.936 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 30.6 ptt-85 -76.06 164.11 26.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 168.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -21.36 63.73 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -174.449 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.45 -46.58 82.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.436 0.695 . . . . 0.0 111.19 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -81.98 -30.91 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.377 0.671 . . . . 0.0 109.906 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -55.19 -37.43 67.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.49 0.716 . . . . 0.0 112.269 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.9 -23.97 64.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -76.78 -23.77 52.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.642 0.777 . . . . 0.0 111.35 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt -95.41 -35.87 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.97 1.308 . . . . 0.0 110.287 -172.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -79.31 3.05 19.28 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.705 0.802 . . . . 0.0 113.061 172.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -14.95 48.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.96 37.89 0.12 Allowed Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.472 -0.627 . . . . 0.0 113.534 169.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.0 -40.63 0.1 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -169.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 4.5 m 44.19 45.23 6.92 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.944 1.298 . . . . 0.0 112.604 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.52 126.01 3.41 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 124.146 0.978 . . . . 0.0 109.937 174.563 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -64.67 178.34 1.79 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 122.625 2.216 . . . . 0.0 113.341 174.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 N--CA 1.454 -0.258 0 C-N-CA 124.297 1.039 . . . . 0.0 112.571 176.456 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.759 3.559 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 O4'-C1'-N19 111.68 3.48 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 1 O4'-C1'-N19 113.425 5.225 . 0.38 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . 0.663 ' H42' ' NE2' ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.051 1 O4'-C1'-N19 112.28 4.08 . 0.272 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 0 C3'-C2'-C1' 104.524 3.36 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C5'-C4'-C3' 110.208 -3.528 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.496 " H1'" ' CG2' ' D' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.35 1 O4'-C1'-N19 114.174 5.974 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 C5'-C4'-C3' 110.398 -3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 O4'-C1'-N19 110.971 2.771 . 0.039 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 C3'-C2'-C1' 104.71 3.566 . 0.349 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 O4'-C1'-N19 111.423 3.223 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 C5'-C4'-C3' 112.236 -2.176 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 1 C5'-C4'-C3' 108.533 -4.645 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.468 -2.232 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 111.639 3.439 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 O4'-C1'-N19 111.597 3.397 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 111.788 3.588 . 0.673 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 111.057 -2.962 . 0.011 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.941 2.741 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.982 3.782 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.497 4.297 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 0 O4'-C1'-N19 110.711 2.511 . 0.179 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.819 4.619 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 112.13 3.93 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 N19-C1'-C2' 108.808 -2.87 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.97 0 O4'-C1'-N19 111.294 3.094 . 0.546 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.508 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 100.403 -2.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 O4'-C1'-N19 111.611 3.411 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-C3' 110.945 -3.037 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . 0.47 HO2' ' P ' ' G' ' 31' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 C5'-C4'-C3' 109.306 -4.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . 0.47 ' P ' HO2' ' G' ' 30' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 P-O3'-C3' 125.264 4.637 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.168 2.968 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 112.541 4.341 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C4'-C3'-C2' 99.174 -3.526 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C4'-C3'-C2' 99.893 -2.807 . 0.161 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 111.499 3.299 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 C5'-C4'-C3' 110.858 -3.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 1 O4'-C1'-N19 112.634 4.434 . 0.063 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.398 0 C3'-C2'-C1' 104.382 3.202 . 0.187 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 112.889 4.689 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.401 1 C5'-C4'-C3' 108.844 -4.438 . 0.028 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 2 C3'-C2'-C1' 106.085 5.095 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 112.173 3.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.856 4.656 . 0.014 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.647 4.447 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 110.987 2.787 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 111.475 3.275 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 0 C3'-C2'-C1' 105.025 3.917 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 1 P-O3'-C3' 125.554 4.878 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 O4'-C1'-N19 112.17 3.97 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.433 2 C3'-C2'-C1' 105.467 4.408 . 0.386 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 1 O5'-C5'-C4' 117.436 5.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.17 1.97 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 1 O4'-C1'-N19 112.462 4.262 . 0.894 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.034 -2.666 . 0.547 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 110.865 2.665 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.81 3.678 . 0.558 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 113.268 5.068 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 1 O4'-C1'-N19 112.341 4.141 . 0.109 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 O4'-C1'-N19 111.62 3.42 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 112.041 3.841 . 0.406 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 O4'-C1'-N19 111.437 3.237 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.436 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 C5'-C4'-C3' 110.087 -3.609 . 0.743 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.436 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 99.224 -3.476 . 0.07 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.391 3.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 0 C5'-C4'-C3' 110.355 -3.43 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.425 ' C6 ' ' CE ' ' D' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.413 -3.329 1 C3'-C2'-C1' 96.92 -5.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O3'-P-O5' 98.833 -2.72 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-C3' 111.038 -2.975 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.743 4.543 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 O4'-C1'-N19 111.071 2.871 . 0.299 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 O4'-C1'-N19 110.734 2.534 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.29 111.88 24.06 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.683 0.793 . . . . 0.0 109.505 -176.104 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.3 134.01 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.528 0.731 . . . . 0.0 109.126 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.3 mt -129.67 158.18 40.05 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.268 1.027 . . . . 0.0 109.771 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 100.88 7.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.01 128.05 55.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.326 0.651 . . . . 0.0 110.714 -168.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -91.65 153.19 19.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 31.4 m -62.94 136.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 119.692 -0.803 . . . . 0.0 112.097 -169.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -2.19 63.41 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.489 1.043 . . . . 0.0 114.174 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -102.7 171.8 7.21 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.735 1.267 . . . . 0.0 111.714 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -137.26 149.29 47.02 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -168.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.4 mm -107.23 158.39 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.648 1.579 . . . . 0.0 109.511 169.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -132.79 134.58 44.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.552 1.141 . . . . 0.0 109.728 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -131.76 125.8 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.245 1.018 . . . . 0.0 109.659 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.91 -129.24 32.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.071 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.92 0.02 7.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.883 0.873 . . . . 0.0 112.333 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -132.15 -23.66 2.17 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -169.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.51 134.58 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.97 0.805 . . . . 0.0 110.503 -172.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -128.7 138.42 52.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.962 0.905 . . . . 0.0 109.301 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -118.31 140.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.381 1.073 . . . . 0.0 108.348 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 m -134.47 126.49 29.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.16 101.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 169.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.26 -37.62 74.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.87 -169.51 33.57 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 114.887 0.715 . . . . 0.0 114.887 166.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 m -89.2 158.76 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.6 0.76 . . . . 0.0 112.493 -169.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 m -147.26 60.89 1.17 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.82 1.248 . . . . 0.0 108.385 168.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -130.88 19.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -168.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -81.58 -8.37 59.71 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.419 0.688 . . . . 0.0 112.658 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . 0.452 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 13.3 pt20 -98.85 134.69 41.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.575 1.179 . . . . 0.0 110.168 168.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.08 124.0 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 126.226 1.81 . . . . 0.0 108.945 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -93.96 101.9 13.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.207 0.527 . . . . 0.0 110.089 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.4 mt -108.41 135.35 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 124.952 1.301 . . . . 0.0 109.471 -176.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.02 142.67 16.19 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.892 0.758 . . . . 0.0 111.663 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.43 125.41 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.194 1.398 . . . . 0.0 108.596 177.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -106.77 82.75 1.75 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.357 1.063 . . . . 0.0 108.954 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.42 153.72 44.77 Favored Pre-proline 0 N--CA 1.453 -0.284 0 C-N-CA 124.224 1.01 . . . . 0.0 110.266 169.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.87 154.06 58.48 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.322 2.015 . . . . 0.0 110.46 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.17 -2.49 13.27 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.52 -24.62 62.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.905 0.882 . . . . 0.0 111.716 169.576 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.05 144.08 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 121.953 0.882 . . . . 0.0 111.593 172.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 143.03 28.18 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.735 0.814 . . . . 0.0 110.544 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 m -132.09 130.43 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.84 0.456 . . . . 0.0 109.928 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.0 m-70 -151.58 159.6 44.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.671 0.788 . . . . 0.0 110.379 -173.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 162.16 19.01 Favored 'General case' 0 N--CA 1.456 -0.139 0 O-C-N 122.212 -0.305 . . . . 0.0 111.774 169.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.82 -31.58 72.88 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.535 0.734 . . . . 0.0 112.365 -173.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.31 -25.17 22.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.317 1.047 . . . . 0.0 112.652 171.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.3 -26.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.611 1.164 . . . . 0.0 110.986 -169.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.4 -31.71 72.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.553 -0.717 . . . . 0.0 110.697 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.91 -16.54 61.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -77.84 -33.21 52.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.855 0.862 . . . . 0.0 111.087 170.773 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.81 -52.47 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.659 0.784 . . . . 0.0 108.997 172.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -84.07 5.02 27.54 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.705 0.802 . . . . 0.0 112.267 -173.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.53 -29.23 67.74 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.946 0.498 . . . . 0.0 111.007 168.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.91 10.93 0.04 OUTLIER Glycine 0 CA--C 1.526 0.749 0 CA-C-O 119.207 -0.774 . . . . 0.0 113.537 170.273 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.6 mt -87.04 90.72 8.46 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.792 1.296 . . . . 0.0 108.519 -172.164 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.0 p 177.41 -44.75 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 126.801 2.04 . . . . 0.0 107.921 -169.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.73 157.78 71.58 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 125.381 1.472 . . . . 0.0 111.772 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -74.14 163.88 35.6 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.441 2.761 . . . . 0.0 112.335 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.543 1.137 . . . . 0.0 112.228 178.005 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.743 -0.17 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -108.08 120.95 43.78 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 168.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.8 mt -117.52 136.6 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.751 0.42 . . . . 0.0 112.016 -166.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -138.8 139.39 38.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.677 1.191 . . . . 0.0 110.504 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.5 p -86.03 132.22 34.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 166.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.86 112.99 14.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 64.7 tttt -82.58 146.45 29.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.2 129.2 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 121.216 0.531 . . . . 0.0 111.667 -168.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.57 -12.47 61.35 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.149 0.88 . . . . 0.0 114.813 -176.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -82.01 165.49 20.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.11 1.455 . . . . 0.0 111.66 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -133.7 157.23 46.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.598 0.759 . . . . 0.0 112.434 -171.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mt -136.86 157.15 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.907 1.683 . . . . 0.0 109.302 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -138.78 142.0 38.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.481 0.712 . . . . 0.0 111.058 -171.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -133.48 127.39 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.421 1.089 . . . . 0.0 109.608 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.87 -135.07 52.26 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -120.57 -2.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.725 0.81 . . . . 0.0 112.424 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.81 -18.85 11.23 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.47 134.79 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.901 0.773 . . . . 0.0 110.958 -170.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.38 149.35 52.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.689 1.196 . . . . 0.0 109.949 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.7 mm -129.15 145.12 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.0 1.72 . . . . 0.0 108.28 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -137.16 131.55 32.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.889 0.476 . . . . 0.0 110.06 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -82.46 95.19 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.46 -33.11 75.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.945 -0.472 . . . . 0.0 110.891 -175.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 -179.23 35.98 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 123.369 0.509 . . . . 0.0 112.058 171.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.48 145.28 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.223 0.535 . . . . 0.0 110.323 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -121.21 71.83 0.97 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.798 1.239 . . . . 0.0 108.0 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.36 -119.76 5.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -171.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . 0.469 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -98.19 11.31 38.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 122.012 -0.699 . . . . 0.0 111.494 174.701 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -98.94 156.44 16.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.106 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.77 115.51 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.65 117.5 23.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.006 0.922 . . . . 0.0 109.724 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.38 129.81 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.393 1.077 . . . . 0.0 109.463 -171.686 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.83 136.12 13.01 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -120.08 130.57 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.86 0.838 . . . . 0.0 109.314 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -130.2 76.81 1.75 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.214 -168.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.73 157.13 63.73 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.85 176.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.11 158.01 36.67 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.026 1.818 . . . . 0.0 111.684 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -71.66 -0.9 11.95 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.909 0.884 . . . . 0.0 112.253 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.99 -25.32 67.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.255 1.422 . . . . 0.0 111.634 169.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -111.93 144.09 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.106 0.963 . . . . 0.0 109.986 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.9 143.08 27.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.491 0.662 . . . . 0.0 111.225 169.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.53 97.45 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.021 -166.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 163.77 34.35 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.92 0.488 . . . . 0.0 111.469 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -69.05 159.85 32.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.534 0.207 . . . . 0.0 111.209 169.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -55.01 -38.12 67.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.393 0.677 . . . . 0.0 112.568 -175.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -48.68 -50.63 32.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.346 0.521 . . . . 0.0 110.874 175.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -74.52 -47.94 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.084 1.354 . . . . 0.0 109.925 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.94 -37.5 44.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.263 1.025 . . . . 0.0 111.735 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -70.53 -22.89 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 mpt_? -83.82 -38.59 21.04 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.287 0.949 . . . . 0.0 110.735 170.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.67 -40.9 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -80.17 4.99 15.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.43 -19.86 48.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.913 0.485 . . . . 0.0 111.272 168.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.84 47.48 0.08 OUTLIER Glycine 0 C--N 1.338 0.639 0 CA-C-O 119.438 -0.645 . . . . 0.0 114.071 169.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -176.72 2.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.92 0.86 . . . . 0.0 112.866 -168.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.9 p -125.41 178.42 5.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.461 1.504 . . . . 0.0 109.345 167.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -38.65 119.02 1.08 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 124.778 1.231 . . . . 0.0 112.045 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -70.37 177.48 5.96 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.847 1.698 . . . . 0.0 114.959 -169.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 125.321 1.448 . . . . 0.0 113.002 -177.713 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.44 1.9 tpp . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.388 0.613 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.45 21.87 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 168.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 130.97 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -122.95 134.98 54.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.419 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -84.12 138.0 33.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 167.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 23.8 ttp180 -141.22 141.16 34.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.591 0.234 . . . . 0.0 110.676 179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.447 ' HE2' ' OP2' ' G' ' 4' ' ' ' C' . 19.5 ttpp -108.65 143.66 37.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.883 0.873 . . . . 0.0 108.848 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -52.04 130.95 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.98 -12.19 62.31 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.462 1.506 . . . . 0.0 114.351 -175.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -87.79 -179.1 6.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.396 1.598 . . . . 0.0 112.581 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 60.1 m -145.37 159.73 42.61 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -167.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 65.9 mt -135.2 159.8 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 127.655 2.382 . . . . 0.0 108.3 177.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -129.28 146.53 51.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.434 1.094 . . . . 0.0 111.207 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.48 141.62 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.637 1.175 . . . . 0.0 109.098 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.54 -135.81 50.11 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -170.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -123.75 10.05 8.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.907 0.883 . . . . 0.0 111.151 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.17 -8.96 3.81 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.258 1.023 . . . . 0.0 113.51 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.96 138.02 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.726 0.694 . . . . 0.0 110.95 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 16.1 m -122.65 144.07 49.36 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.699 1.2 . . . . 0.0 109.303 169.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.27 145.33 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.094 1.358 . . . . 0.0 107.854 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m -136.71 139.55 42.02 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 118.572 0.624 . . . . 0.0 110.882 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.7 tp -91.83 110.02 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.6 mt -87.84 -36.75 17.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.702 -0.623 . . . . 0.0 109.657 -172.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.92 175.06 39.24 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.344 -0.455 . . . . 0.0 114.019 168.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -112.75 148.41 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.383 0.673 . . . . 0.0 110.435 169.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 105.95 3.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.23 -142.04 28.78 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.814 -168.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.41 2.95 38.26 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.542 1.137 . . . . 0.0 110.668 168.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.97 143.31 26.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.774 1.63 . . . . 0.0 110.38 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.56 120.25 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -81.3 119.29 23.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 169.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 mt -117.3 130.33 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.921 1.288 . . . . 0.0 110.112 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.69 139.73 14.77 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 125.643 1.592 . . . . 0.0 111.501 171.609 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.34 137.69 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -137.98 94.22 2.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -173.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.32 153.76 69.08 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 110.803 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.18 151.58 81.24 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.936 2.424 . . . . 0.0 111.096 171.339 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -64.3 -1.04 1.46 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.554 0.741 . . . . 0.0 112.765 172.357 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.9 -22.94 66.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 111.502 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.05 146.09 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.337 1.055 . . . . 0.0 110.25 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.12 154.84 19.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.886 0.474 . . . . 0.0 111.207 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -140.19 130.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.84 0.456 . . . . 0.0 110.255 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -157.0 164.6 37.82 Favored 'General case' 0 C--N 1.337 0.035 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -69.82 150.78 46.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 165.569 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.5 -38.16 71.4 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.53 -19.32 60.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -92.74 -31.12 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 110.82 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -52.54 -43.55 65.23 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.621 -0.675 . . . . 0.0 111.454 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -62.23 -27.41 68.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.324 0.65 . . . . 0.0 112.703 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -69.07 -40.32 78.55 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.439 0.696 . . . . 0.0 111.446 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.12 -19.41 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.433 0.293 . . . . 0.0 110.357 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -96.32 2.12 52.53 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.014 0.925 . . . . 0.0 112.91 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.14 4.04 7.56 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -172.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.49 33.1 1.14 Allowed Glycine 0 CA--C 1.523 0.565 0 C-N-CA 124.152 0.882 . . . . 0.0 112.812 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.45 149.46 36.83 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 117.394 0.597 . . . . 0.0 111.222 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -153.35 -36.92 0.1 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.922 0.889 . . . . 0.0 111.206 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . 0.576 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -148.37 -33.66 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.276 0 C-N-CA 124.95 1.3 . . . . 0.0 112.816 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . 0.576 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 23.7 Cg_exo -78.72 177.3 8.88 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 CA-C-N 121.016 1.398 . . . . 0.0 114.253 -175.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 124.744 1.218 . . . . 0.0 112.97 -172.676 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.19 107.48 14.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 167.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.98 140.27 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.496 1.118 . . . . 0.0 109.623 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.91 162.0 39.65 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.519 0.728 . . . . 0.0 111.436 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -88.25 148.14 24.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 111.407 173.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -138.1 137.67 37.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.73 0.812 . . . . 0.0 109.983 169.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -85.91 155.55 20.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.254 0.479 . . . . 0.0 110.159 169.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -55.09 135.75 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.533 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.35 -2.59 81.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.315 0.96 . . . . 0.0 114.182 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -98.71 175.92 5.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.827 1.314 . . . . 0.0 111.931 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -133.93 161.79 33.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.293 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mt -141.83 157.25 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.171 2.189 . . . . 0.0 108.306 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.13 148.78 50.6 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.571 -0.705 . . . . 0.0 111.837 177.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -133.96 135.19 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.103 1.361 . . . . 0.0 109.545 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.86 44.0 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -124.67 1.66 8.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.883 0.873 . . . . 0.0 111.79 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -134.44 -10.77 2.47 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.41 132.15 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 118.941 0.792 . . . . 0.0 110.36 -175.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 12.2 m -120.13 147.48 44.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.759 0.824 . . . . 0.0 109.753 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -126.65 142.78 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 125.284 1.434 . . . . 0.0 108.173 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 13.3 m -138.42 128.44 25.5 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.36 102.93 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.12 -29.77 43.4 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.925 -0.484 . . . . 0.0 111.037 -169.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.17 -178.6 39.45 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 121.795 -0.241 . . . . 0.0 113.395 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -111.16 160.03 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.356 0.663 . . . . 0.0 111.394 170.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -143.73 73.25 1.38 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.11 1.364 . . . . 0.0 108.626 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.27 -116.55 4.58 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.32 -22.91 43.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.996 1.318 . . . . 0.0 110.468 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -82.99 155.69 23.83 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.552 1.141 . . . . 0.0 111.542 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -142.28 122.93 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.195 0.998 . . . . 0.0 108.412 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . 0.401 ' HD3' ' H62' ' G' ' 12' ' ' ' A' . 23.7 mtm180 -83.47 124.3 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.261 0.482 . . . . 0.0 109.884 170.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -129.78 119.83 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.842 0.857 . . . . 0.0 109.491 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.49 141.18 19.53 Favored Glycine 0 CA--C 1.523 0.531 0 C-N-CA 124.884 1.231 . . . . 0.0 110.766 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.07 136.15 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -136.19 89.86 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.187 0.595 . . . . 0.0 109.755 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 156.51 71.2 Favored Pre-proline 0 N--CA 1.45 -0.437 0 C-N-CA 124.918 1.287 . . . . 0.0 109.422 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.29 151.6 84.08 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.916 1.744 . . . . 0.0 110.009 169.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.07 -0.86 2.66 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.031 0.532 . . . . 0.0 112.343 169.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.9 -23.9 66.73 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.92 1.288 . . . . 0.0 111.23 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -127.34 159.63 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.632 1.173 . . . . 0.0 110.63 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.42 157.07 16.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.952 0.501 . . . . 0.0 112.266 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.6 127.85 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.955 0.502 . . . . 0.0 109.677 167.693 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -149.55 163.67 37.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.227 0.611 . . . . 0.0 111.677 175.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -63.48 158.46 20.82 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -63.06 -33.56 75.69 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.399 0.545 . . . . 0.0 112.153 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.0 -52.63 64.95 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.532 0.605 . . . . 0.0 110.798 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.85 -44.84 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.943 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -48.96 -42.56 37.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.788 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -57.76 -26.48 61.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.822 0.849 . . . . 0.0 112.926 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.81 -33.36 60.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.713 1.205 . . . . 0.0 110.841 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.454 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 2.0 mp -83.02 -18.72 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 126.924 2.09 . . . . 0.0 109.851 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -99.11 -14.43 19.38 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 174.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.43 2.06 54.38 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.97 -1.88 7.3 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 118.726 0.694 . . . . 0.0 112.81 -170.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 79.57 138.35 0.07 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.825 2.45 . . . . 0.0 112.291 167.694 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 4.9 m -130.17 -5.5 4.38 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.463 -167.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.48 136.03 16.35 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 124.216 1.007 . . . . 0.0 108.386 167.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -64.73 -179.52 0.99 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.906 2.404 . . . . 0.0 113.107 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 N--CA 1.456 -0.149 0 C-N-CA 124.1 0.96 . . . . 0.0 112.822 178.33 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tt -104.99 140.03 38.79 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.511 1.524 . . . . 0.0 109.337 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.1 139.54 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.866 0.866 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.6 mt -134.09 165.03 26.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.579 1.552 . . . . 0.0 110.657 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 99.76 5.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 168.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -104.99 129.88 53.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.124 1.369 . . . . 0.0 111.871 -169.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -80.07 155.12 27.7 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.307 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.71 137.08 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 111.498 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.99 -4.11 83.01 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.157 -0.801 . . . . 0.0 114.319 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -94.44 178.42 5.62 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.901 1.35 . . . . 0.0 111.489 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -138.43 156.83 47.21 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -169.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.8 mt -136.12 157.6 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 126.534 1.934 . . . . 0.0 108.114 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.43 149.78 48.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.489 -0.757 . . . . 0.0 112.909 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -137.52 138.72 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.677 1.191 . . . . 0.0 109.075 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.66 -138.14 49.58 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.0 10.01 7.54 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.072 0.949 . . . . 0.0 112.446 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.26 -11.48 4.12 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.62 135.17 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 119.247 0.93 . . . . 0.0 111.194 -169.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -127.04 143.64 51.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.353 1.061 . . . . 0.0 110.229 174.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -121.23 136.38 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.358 1.463 . . . . 0.0 108.189 175.454 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -132.5 123.56 26.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.246 0.618 . . . . 0.0 109.823 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -80.97 102.37 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 175.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.5 -31.75 68.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.552 0.341 . . . . 0.0 110.69 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.68 -169.69 32.36 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.386 0.517 . . . . 0.0 113.241 170.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.76 160.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -149.98 98.1 2.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.592 1.557 . . . . 0.0 108.95 169.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.89 -119.82 8.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -173.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.4 -12.09 35.81 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.548 0.674 . . . . 0.0 111.416 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -83.32 141.0 32.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.822 0.82 . . . . 0.0 110.697 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.09 109.65 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -168.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -89.16 122.04 32.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.07 126.39 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.158 0.983 . . . . 0.0 110.098 -169.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.57 139.97 17.71 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.075 0.845 . . . . 0.0 111.027 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.2 mt -130.88 124.79 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.781 1.232 . . . . 0.0 108.555 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -127.77 99.02 5.38 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.5 155.89 71.67 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.648 1.179 . . . . 0.0 110.6 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.72 159.23 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.972 2.448 . . . . 0.0 112.088 171.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -68.74 -0.9 5.9 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.429 0.691 . . . . 0.0 112.687 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.9 -24.01 67.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.839 1.255 . . . . 0.0 111.544 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.08 156.04 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.216 1.006 . . . . 0.0 110.766 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.58 154.4 20.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.648 173.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.12 126.01 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.873 0.469 . . . . 0.0 110.171 168.643 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -149.49 165.76 31.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.24 1.016 . . . . 0.0 109.838 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -77.47 161.65 27.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.678 -0.639 . . . . 0.0 109.835 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.91 -22.35 59.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.19 -51.39 61.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.004 0.922 . . . . 0.0 111.41 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.39 -32.74 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.668 0.787 . . . . 0.0 109.582 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.0 t80 -55.96 -36.17 67.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.193 0.597 . . . . 0.0 112.607 -179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.89 -28.69 67.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.845 -0.534 . . . . 0.0 112.325 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -71.66 -23.67 61.71 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.112 0.565 . . . . 0.0 110.361 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -99.16 -27.15 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.73 1.612 . . . . 0.0 112.288 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 -85.06 3.03 40.64 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.68 -0.62 16.05 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 175.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 80.55 99.79 0.33 Allowed Glycine 0 CA--C 1.526 0.742 0 C-N-CA 125.221 1.391 . . . . 0.0 114.961 -169.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.401 ' C ' ' CD2' ' E' ' 55' ' ' LEU . 0.0 OUTLIER -170.74 -6.82 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -168.477 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 7.3 p -61.99 145.66 52.37 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.136 0.88 . . . . 0.0 111.204 -164.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . 48.9 70.17 2.25 Favored Pre-proline 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 110.844 -168.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.56 -45.56 37.02 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 124.157 3.238 . . . . 0.0 114.716 -168.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 122.976 0.51 . . . . 0.0 111.292 -169.018 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tpt . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -97.56 150.36 21.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.874 0.47 . . . . 0.0 111.452 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 169.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.46 150.2 35.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.642 1.577 . . . . 0.0 108.875 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -122.43 101.09 7.29 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.318 0.58 . . . . 0.0 110.344 169.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -104.97 144.56 31.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.399 1.479 . . . . 0.0 109.367 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -107.29 164.33 12.27 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.867 1.212 . . . . 0.0 113.485 169.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -53.89 134.85 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.925 -169.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.28 -11.0 69.41 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.356 0.979 . . . . 0.0 114.122 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -97.26 176.96 5.72 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.759 1.28 . . . . 0.0 112.33 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -136.09 161.25 36.22 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -136.49 156.7 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 127.114 2.166 . . . . 0.0 107.982 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -131.75 151.45 51.64 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.328 -0.858 . . . . 0.0 112.639 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.63 141.22 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.64 1.176 . . . . 0.0 109.053 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.62 -137.25 49.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -121.63 10.08 10.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.352 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.65 -17.46 1.11 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.12 137.77 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.119 0.872 . . . . 0.0 110.717 -171.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -126.29 141.03 52.07 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.212 1.005 . . . . 0.0 110.361 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -118.17 139.87 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.548 1.539 . . . . 0.0 107.931 171.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -136.35 127.92 28.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.147 0.579 . . . . 0.0 109.779 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.89 108.11 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.75 -29.98 45.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.83 0.452 . . . . 0.0 110.89 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.61 -170.44 34.64 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 123.262 0.458 . . . . 0.0 113.029 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.16 151.11 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 112.033 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.7 m -139.9 90.03 2.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.317 1.447 . . . . 0.0 108.768 170.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.83 -125.07 29.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.661 -0.575 . . . . 0.0 111.661 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -80.11 -15.57 56.83 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.05 142.09 31.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.458 0.647 . . . . 0.0 110.327 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -128.74 117.06 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -85.93 117.86 25.04 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.18 133.97 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.861 0.864 . . . . 0.0 109.791 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.82 141.47 15.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.153 0.883 . . . . 0.0 111.308 172.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.05 137.64 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.317 1.047 . . . . 0.0 109.597 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -131.65 106.44 8.16 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.129 0.972 . . . . 0.0 109.605 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.31 158.15 75.19 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.798 0.839 . . . . 0.0 111.472 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.19 162.63 29.07 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.953 2.435 . . . . 0.0 112.338 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.82 -4.9 14.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 169.146 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.48 -23.62 66.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.236 1.414 . . . . 0.0 112.153 173.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -129.17 164.8 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 111.007 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.74 161.51 14.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.308 0.643 . . . . 0.0 111.399 170.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.96 122.57 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.404 0.682 . . . . 0.0 110.37 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.6 173.53 15.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.168 0.987 . . . . 0.0 110.252 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -78.29 163.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.792 -0.568 . . . . 0.0 109.96 169.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -60.73 -29.96 69.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.854 0.461 . . . . 0.0 112.205 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.68 -44.61 77.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.021 0.928 . . . . 0.0 111.615 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -89.17 -30.67 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.602 0.761 . . . . 0.0 110.298 -170.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -49.85 -35.35 22.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 112.714 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -59.95 -22.0 61.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.05 0.94 . . . . 0.0 112.694 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -72.91 -47.77 42.86 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.9 mp -64.19 -23.07 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.456 1.502 . . . . 0.0 110.554 -178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -85.22 -41.33 15.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 169.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.77 -32.01 8.15 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -166.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.41 -21.38 1.83 Allowed Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.118 0.865 . . . . 0.0 113.015 -169.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 61.35 -176.6 0.12 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 127.914 2.485 . . . . 0.0 112.987 169.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 37.8 p -87.09 -8.78 56.71 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.626 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.06 131.48 21.86 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.153 0.981 . . . . 0.0 109.889 170.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -54.76 -40.87 82.73 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.719 2.946 . . . . 0.0 113.474 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 123.108 0.563 . . . . 0.0 110.565 -169.061 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 112.002 3.802 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 112.179 3.979 . 0.372 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 112.915 4.715 . 0.287 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . 0.447 ' OP2' ' HE2' ' C' ' 7' ' ' LYS . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C5'-C4'-O4' 113.959 3.399 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.195 2.995 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C5'-C4'-O4' 113.987 3.42 . 0.03 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 C5'-C4'-C3' 108.68 -4.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.091 2.879 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 0 P-O3'-C3' 122.553 2.378 . 0.017 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 C3'-C2'-C1' 105.516 4.462 . 0.029 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 O4'-C1'-N19 112.218 4.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.452 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 O4'-C4'-C3' 108.432 2.094 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 110.69 -3.207 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C4'-C3'-C2' 99.985 -2.715 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 O4'-C1'-N19 111.64 3.44 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.658 3.458 . 0.395 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O4'-C1'-N19 112.125 3.925 . 0.628 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 112.462 4.262 . 0.195 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C4'-C3'-C2' 99.883 -2.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.922 3.722 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 O4'-C1'-N19 112.367 4.167 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 110.797 2.597 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 2 O4'-C1'-N19 112.498 4.298 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 O4'-C1'-N19 112.143 3.943 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 N19-C1'-C2' 108.765 -2.897 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 O4'-C1'-N19 111.269 3.069 . 0.369 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C5'-C4'-C3' 111.607 -2.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.361 0 C5'-C4'-C3' 112.05 -2.3 . 0.047 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.251 0 C5'-C4'-C3' 111.598 -2.601 OUTLIER-DELTA 0.016 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O4'-C1'-N19 111.614 3.414 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C4'-C3'-C2' 99.588 -3.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.237 3.037 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 O4'-C1'-N19 112.479 4.279 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.737 3.537 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.832 -2.868 . 0.329 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 111.459 3.259 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 1 O4'-C1'-N19 112.417 4.217 . 0.391 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 0 C5'-C4'-C3' 110.344 -3.437 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.403 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C3'-C2'-C1' 104.301 3.112 . 0.269 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.403 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.24 1 O4'-C1'-N19 113.039 4.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 1 C5'-C4'-C3' 108.577 -4.616 . 0.019 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 O4'-C1'-N19 112.154 3.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 114.019 5.819 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 1 O4'-C1'-N19 112.3 4.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 112.586 4.386 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 99.557 -3.143 . 0.162 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 2 O4'-C1'-N19 112.861 4.661 . 0.073 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.443 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.462 1 C3'-C2'-C1' 105.694 4.66 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 017 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.443 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 O4'-C1'-N19 110.543 2.343 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.265 3.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 0 C5'-C4'-C3' 111.714 -2.524 . 0.423 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.374 1 O5'-C5'-C4' 116.793 4.709 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 111.541 -2.639 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.42 4.22 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C4'-C3'-C2' 100.582 -2.118 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 110.772 2.572 . 0.571 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 112.062 3.862 . 0.139 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.957 3.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 O4'-C1'-N19 112.182 3.982 . 0.102 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.537 3.337 . 0.198 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.551 3.351 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C5'-C4'-C3' 110.93 -3.047 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.508 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.416 0 C3'-C2'-C1' 104.803 3.669 . 0.609 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.508 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C5'-C4'-C3' 111.145 -2.903 . 0.303 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C3'-C2'-C1' 103.709 2.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 C5'-C4'-C3' 112.189 -2.208 . 0.147 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 2 C5'-C4'-C3' 104.746 -7.17 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 P-O3'-C3' 125.543 4.869 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 0 C5'-C4'-C3' 111.437 -2.709 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 1 O4'-C1'-N19 112.386 4.186 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 110.984 2.784 . 0.565 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.125 2.925 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 ttp . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.18 108.76 20.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.696 0.798 . . . . 0.0 109.979 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.12 135.03 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.54 157.58 41.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 109.748 172.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -119.12 100.98 7.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -117.96 143.26 46.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.868 0.867 . . . . 0.0 110.622 -168.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -108.45 160.34 15.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.88 -0.512 . . . . 0.0 110.631 -170.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -47.73 126.02 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.324 0.649 . . . . 0.0 110.555 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 -5.91 78.3 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.511 1.053 . . . . 0.0 114.921 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -80.3 159.69 25.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.926 1.363 . . . . 0.0 111.249 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 m -134.3 133.15 40.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.485 0.714 . . . . 0.0 112.313 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.507 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.1 mm -102.18 155.75 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 124.676 1.19 . . . . 0.0 109.922 173.412 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.33 135.22 46.04 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.098 0.959 . . . . 0.0 110.846 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.72 124.57 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.15 0.98 . . . . 0.0 110.892 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.89 -121.47 23.51 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 166.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -80.53 0.9 31.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -165.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 147.0 7.28 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 128.419 2.688 . . . . 0.0 112.17 168.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.95 129.02 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 O-C-N 120.859 -1.151 . . . . 0.0 109.379 -176.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -123.37 135.0 53.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.23 0.612 . . . . 0.0 109.913 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 mm -122.59 119.91 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.754 0.822 . . . . 0.0 109.229 -171.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.9 m -116.19 133.2 56.28 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.797 0.726 . . . . 0.0 110.574 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -83.92 105.62 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -27.42 60.85 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.0 -167.99 38.28 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 122.779 0.228 . . . . 0.0 113.249 168.216 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.35 154.18 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.892 0.877 . . . . 0.0 111.399 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -133.99 73.2 1.49 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.511 1.124 . . . . 0.0 109.466 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.25 -120.31 7.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -83.66 6.47 20.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.124 0.57 . . . . 0.0 111.989 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -98.82 158.43 15.63 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.909 0.861 . . . . 0.0 111.29 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -142.05 107.99 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.834 1.654 . . . . 0.0 108.319 -168.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -94.89 101.9 13.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.206 0.602 . . . . 0.0 110.096 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.8 mt -106.99 134.54 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.212 1.405 . . . . 0.0 110.209 -174.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.4 134.64 12.17 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -108.25 128.49 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.114 1.366 . . . . 0.0 108.448 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -117.59 74.91 0.96 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.23 1.012 . . . . 0.0 109.414 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 152.41 39.4 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 125.09 1.356 . . . . 0.0 110.693 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.32 153.07 61.62 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.503 2.135 . . . . 0.0 110.242 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.02 -2.31 12.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.69 -24.97 63.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.859 0.864 . . . . 0.0 111.903 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -114.9 144.07 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 121.964 0.887 . . . . 0.0 111.709 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.02 143.1 29.99 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.918 0.887 . . . . 0.0 110.622 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.93 128.69 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.767 0.427 . . . . 0.0 110.148 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.1 m-70 -151.7 156.81 41.09 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.729 0.812 . . . . 0.0 110.524 -173.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 162.48 18.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.923 170.487 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.67 -32.0 73.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.54 0.736 . . . . 0.0 112.429 -172.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.41 -25.94 17.82 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.612 1.165 . . . . 0.0 112.665 170.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -116.92 -24.74 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.573 1.149 . . . . 0.0 110.921 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -61.43 -31.53 71.47 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.792 0.723 . . . . 0.0 110.817 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.28 -15.74 61.4 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 111.815 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.8 -34.93 33.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.207 1.003 . . . . 0.0 110.879 169.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 38.5 mt -62.14 -52.44 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.813 0.845 . . . . 0.0 109.035 175.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 79.0 mm-40 -84.04 5.1 27.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.695 0.798 . . . . 0.0 112.67 -174.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.75 81.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.026 0.53 . . . . 0.0 111.848 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.28 30.08 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 CA-C-O 119.955 -0.358 . . . . 0.0 113.047 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.1 mt -111.88 -174.85 2.55 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.761 1.225 . . . . 0.0 108.041 177.493 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.8 p 58.43 5.4 0.44 Allowed 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 126.093 1.757 . . . . 0.0 115.275 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.09 160.52 35.2 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 125.732 1.613 . . . . 0.0 110.623 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -68.64 -30.13 28.7 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 122.792 2.328 . . . . 0.0 112.275 173.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 C-N-CA 123.108 0.563 . . . . 0.0 111.428 -173.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.7 120.2 41.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.773 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 63.7 mt -115.62 140.03 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 121.017 0.437 . . . . 0.0 112.105 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -133.93 127.76 33.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 63.4 m -89.8 101.54 14.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 169.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.9 172.94 7.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.242 1.417 . . . . 0.0 109.77 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -145.41 158.05 43.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.293 1.037 . . . . 0.0 108.777 167.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.38 133.8 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -168.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.18 64.66 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 114.866 -1.061 . . . . 0.0 114.512 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.77 171.2 13.38 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.825 1.312 . . . . 0.0 111.846 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -135.51 157.6 46.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.81 0.844 . . . . 0.0 112.163 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -131.88 157.48 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 125.606 1.562 . . . . 0.0 109.2 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -136.58 138.87 41.69 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.88 0.872 . . . . 0.0 110.68 -173.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -133.71 129.61 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.257 1.023 . . . . 0.0 109.639 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.94 -135.69 51.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -120.51 0.52 10.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.64 0.776 . . . . 0.0 112.212 173.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -119.26 -17.01 8.97 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -170.261 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.85 135.28 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 118.774 0.716 . . . . 0.0 110.856 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -130.45 149.13 52.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.77 1.228 . . . . 0.0 109.731 170.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 mm -126.81 145.45 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.762 1.625 . . . . 0.0 108.256 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -134.89 129.56 34.56 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.07 0.548 . . . . 0.0 110.12 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.2 tp -85.45 98.61 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -69.92 -31.27 68.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.088 -0.383 . . . . 0.0 111.156 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.4 177.34 31.4 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 123.567 0.603 . . . . 0.0 112.885 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -111.33 152.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.951 0.501 . . . . 0.0 110.842 176.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -130.65 78.52 1.85 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.656 1.183 . . . . 0.0 108.895 170.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.17 -119.43 5.03 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.67 8.83 43.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.387 0.675 . . . . 0.0 110.821 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -98.93 151.97 20.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.674 0.789 . . . . 0.0 110.198 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.94 109.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 123.702 0.801 . . . . 0.0 108.94 -169.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.75 116.75 22.84 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.317 1.047 . . . . 0.0 109.175 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 pt -134.89 141.88 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.257 0.623 . . . . 0.0 111.403 -177.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.18 141.76 15.58 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 124.123 0.868 . . . . 0.0 111.539 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.4 mt -119.53 131.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.036 0.935 . . . . 0.0 108.933 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -131.1 75.7 1.67 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.532 -167.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 157.48 56.93 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.673 175.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.18 154.88 43.09 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 121.904 1.736 . . . . 0.0 110.884 169.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -66.6 -0.75 3.04 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.43 0.692 . . . . 0.0 112.274 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.9 -27.4 68.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.163 1.385 . . . . 0.0 111.431 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -108.81 144.06 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.513 1.125 . . . . 0.0 110.303 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.41 142.06 28.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.452 0.644 . . . . 0.0 111.497 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.2 t -142.84 95.07 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.23 -166.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.415 ' CG ' ' H21' ' G' ' 27' ' ' ' G' . 0.0 OUTLIER -146.67 163.76 34.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.905 0.882 . . . . 0.0 110.858 175.242 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.507 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.5 ptt180 -76.94 161.32 28.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.241 0.616 . . . . 0.0 112.608 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -54.82 -40.06 69.17 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.702 0.801 . . . . 0.0 112.229 -171.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.45 -24.27 67.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.511 -0.743 . . . . 0.0 112.692 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -88.08 -47.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.18 0.992 . . . . 0.0 110.464 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -50.91 -36.97 41.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.237 1.415 . . . . 0.0 112.169 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.65 -23.32 63.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -78.97 -39.01 35.53 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 118.932 0.787 . . . . 0.0 110.456 170.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -65.65 -41.15 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 34.7 mm-40 -79.17 4.98 13.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.04 -20.02 46.24 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.93 -0.481 . . . . 0.0 111.505 168.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.04 46.41 0.07 OUTLIER Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.38 -0.678 . . . . 0.0 114.531 168.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.04 -175.67 2.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.017 0.908 . . . . 0.0 113.074 -168.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -125.94 -179.92 4.91 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.465 1.506 . . . . 0.0 109.015 167.454 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.33 121.4 1.33 Allowed Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 124.355 1.062 . . . . 0.0 111.91 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -68.26 -175.17 0.77 Allowed 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.012 2.474 . . . . 0.0 112.951 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.717 169.186 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.82 107.43 16.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 167.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -83.22 132.16 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.583 0.753 . . . . 0.0 109.471 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 80.0 mt -125.46 134.92 51.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 169.126 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -93.53 150.05 20.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.32 169.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . 0.407 ' HD3' HG13 ' C' ' 12' ' ' ILE . 21.8 ttp180 -145.99 146.92 31.18 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.558 -174.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.51 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 8.1 tptm -103.7 149.86 24.57 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.865 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -56.52 135.17 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.075 0.852 . . . . 0.0 112.479 -172.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -5.85 76.83 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.288 1.423 . . . . 0.0 114.608 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -86.32 -172.33 3.99 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.456 1.628 . . . . 0.0 112.289 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.2 m -148.23 158.65 44.21 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.68 1.192 . . . . 0.0 112.903 -168.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . 0.407 HG13 ' HD3' ' C' ' 6' ' ' ARG . 44.1 mt -135.78 157.66 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 C-N-CA 127.327 2.251 . . . . 0.0 108.192 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -128.08 146.5 50.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.711 0.805 . . . . 0.0 111.612 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -132.06 137.33 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.619 1.168 . . . . 0.0 108.73 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -135.07 51.8 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.12 5.67 9.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.018 0.927 . . . . 0.0 111.785 172.505 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.19 -8.27 4.8 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.8 135.8 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 118.68 0.673 . . . . 0.0 110.596 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -121.94 137.9 54.62 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.604 1.161 . . . . 0.0 109.167 169.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -116.51 141.14 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -131.29 136.81 48.47 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.303 0.501 . . . . 0.0 110.449 -173.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 tp -94.46 111.85 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.9 mt -90.01 -33.91 16.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -174.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.42 -168.08 39.24 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-O 120.186 -0.23 . . . . 0.0 113.094 167.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.86 163.98 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 CA-C-O 121.541 0.686 . . . . 0.0 111.86 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 m -146.85 69.95 1.19 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 108.655 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.04 -109.14 2.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -168.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.44 -6.38 30.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . 0.413 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -93.97 160.02 14.91 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 122.05 0.929 . . . . 0.0 111.969 171.756 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.01 117.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.5 ttm180 -75.83 107.28 7.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 170.717 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -110.65 133.49 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.161 1.384 . . . . 0.0 109.118 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.69 142.02 15.39 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.576 1.084 . . . . 0.0 111.867 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -132.27 114.65 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.89 1.276 . . . . 0.0 107.675 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -123.34 98.56 5.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 110.234 -168.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.44 62.79 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 124.474 1.11 . . . . 0.0 109.805 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.27 151.28 80.18 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.625 2.216 . . . . 0.0 111.222 171.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -64.36 -0.94 1.44 Allowed 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.693 0.797 . . . . 0.0 112.745 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.89 -23.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.345 1.058 . . . . 0.0 111.569 169.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -120.44 146.21 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.082 0.953 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 152.1 23.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.784 0.434 . . . . 0.0 111.054 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -136.52 133.49 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.068 0.547 . . . . 0.0 109.711 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -153.71 158.43 41.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.994 0.518 . . . . 0.0 111.606 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -72.04 155.09 40.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 166.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.75 -30.86 69.15 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.66 -45.45 81.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.877 0.871 . . . . 0.0 111.69 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -88.95 -30.89 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.252 0.621 . . . . 0.0 110.609 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -50.91 -38.82 52.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.469 0.708 . . . . 0.0 112.164 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.15 -32.35 68.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.634 0.774 . . . . 0.0 112.267 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -70.15 -39.13 75.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.191 0.596 . . . . 0.0 111.804 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -65.75 -22.03 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.039 0.381 . . . . 0.0 110.047 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -92.88 -11.83 32.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.652 0.781 . . . . 0.0 112.969 173.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.69 -21.59 41.16 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.092 0.957 . . . . 0.0 112.376 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.49 137.9 10.01 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.18 170.48 17.13 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.403 1.081 . . . . 0.0 111.039 -173.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -75.74 -2.02 27.72 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -168.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.82 83.55 9.45 Favored Pre-proline 0 N--CA 1.453 -0.306 0 CA-C-N 118.691 0.678 . . . . 0.0 110.768 170.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -59.57 130.24 34.56 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.1 2.533 . . . . 0.0 112.172 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 CA--C 1.531 0.247 0 C-N-CA 125.608 1.563 . . . . 0.0 114.856 170.543 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -116.83 119.41 35.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.645 1.178 . . . . 0.0 109.553 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.24 136.13 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.296 1.038 . . . . 0.0 110.013 -169.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.5 164.68 28.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.004 1.322 . . . . 0.0 111.607 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -106.59 115.02 29.47 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 164.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.13 127.31 53.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.692 0.797 . . . . 0.0 110.147 172.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . 0.413 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 66.6 mttt -83.81 156.17 22.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.928 0.785 . . . . 0.0 111.356 170.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.05 134.04 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.326 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.94 -5.63 72.6 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.58 1.086 . . . . 0.0 114.226 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -95.23 179.08 5.31 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.854 1.327 . . . . 0.0 112.013 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -137.82 158.18 44.9 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -169.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.8 mt -137.08 159.95 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 127.262 2.225 . . . . 0.0 108.386 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -134.92 149.72 50.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.662 0.785 . . . . 0.0 112.284 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -134.56 136.26 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.951 1.301 . . . . 0.0 108.963 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.77 -135.92 51.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -176.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.45 5.51 9.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.774 0.83 . . . . 0.0 112.151 174.16 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -128.81 -10.89 4.91 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -172.502 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.61 135.96 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.833 0.742 . . . . 0.0 110.865 -170.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.1 m -122.3 145.45 48.23 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.764 1.226 . . . . 0.0 109.574 172.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.36 139.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.242 1.417 . . . . 0.0 107.98 176.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -132.33 125.81 31.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.131 0.572 . . . . 0.0 109.466 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.32 100.42 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 mt -75.29 -31.96 60.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.124 0.57 . . . . 0.0 110.689 -169.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.16 -172.33 42.17 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 122.16 -0.067 . . . . 0.0 113.259 172.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -117.55 160.17 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.806 0.842 . . . . 0.0 110.446 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -144.24 78.4 1.58 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.661 0.784 . . . . 0.0 109.075 169.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.96 -114.76 3.89 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -174.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . 0.51 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -94.08 -5.85 46.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.33 0.652 . . . . 0.0 110.266 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -73.26 153.04 40.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.8 0.81 . . . . 0.0 111.726 169.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.1 118.67 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 126.33 1.852 . . . . 0.0 106.514 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -93.1 114.42 26.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -122.17 123.93 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.222 0.609 . . . . 0.0 110.241 -168.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.74 133.35 11.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.91 139.31 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -135.28 89.92 2.57 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.92 154.52 49.64 Favored Pre-proline 0 N--CA 1.45 -0.44 0 C-N-CA 124.725 1.21 . . . . 0.0 108.4 171.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -55.53 143.1 79.71 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 121.318 1.345 . . . . 0.0 109.535 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -65.93 -7.59 17.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.381 0.672 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.98 -22.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.135 1.774 . . . . 0.0 112.773 169.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.77 160.05 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 124.091 0.956 . . . . 0.0 110.57 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.11 157.04 16.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.09 124.4 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.92 0.888 . . . . 0.0 109.66 168.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -150.02 163.56 37.82 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.956 0.902 . . . . 0.0 111.13 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -65.87 158.14 28.69 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.852 -0.53 . . . . 0.0 110.042 168.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.52 -24.56 67.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.567 0.747 . . . . 0.0 112.186 -177.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.78 -51.14 61.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.523 -0.736 . . . . 0.0 111.022 169.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -69.1 -35.07 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.274 1.03 . . . . 0.0 109.855 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.13 -45.67 86.92 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.785 -0.572 . . . . 0.0 111.022 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.59 -24.75 65.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.123 0.569 . . . . 0.0 112.458 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -45.21 83.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.191 0.996 . . . . 0.0 109.659 172.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.04 -42.33 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.461 1.104 . . . . 0.0 110.91 -173.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -70.39 1.95 4.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.559 1.144 . . . . 0.0 112.048 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -20.81 66.4 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.366 1.067 . . . . 0.0 111.991 168.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.32 35.36 0.23 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 123.572 0.606 . . . . 0.0 113.739 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -159.28 -172.97 3.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.006 0.903 . . . . 0.0 111.629 -168.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p -109.8 -94.64 0.42 Allowed 'General case' 0 N--CA 1.458 -0.072 0 C-N-CA 123.77 0.828 . . . . 0.0 110.136 168.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.82 109.41 6.55 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.472 0.709 . . . . 0.0 109.744 174.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.65 169.93 9.21 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.845 2.364 . . . . 0.0 113.914 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.453 -0.284 0 C-N-CA 124.318 1.047 . . . . 0.0 112.359 -177.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 tt -107.63 134.24 50.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 110.1 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.97 139.01 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.504 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 mt -136.24 165.02 26.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.805 1.642 . . . . 0.0 110.499 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.6 m -129.41 101.34 5.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 167.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.95 132.7 50.86 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.315 1.046 . . . . 0.0 111.396 -172.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -79.64 155.38 28.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.478 0.711 . . . . 0.0 111.15 171.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -60.03 139.28 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 178.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.6 -3.78 86.15 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-O 119.004 -0.887 . . . . 0.0 113.967 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.86 176.69 6.03 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.967 1.384 . . . . 0.0 111.758 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -135.28 157.94 45.64 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -168.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -136.84 157.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 126.648 1.979 . . . . 0.0 107.956 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -137.07 150.01 47.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.281 -0.887 . . . . 0.0 112.939 -173.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.6 138.98 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.802 1.241 . . . . 0.0 109.173 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 -134.96 49.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -127.21 10.07 6.81 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.114 0.965 . . . . 0.0 111.706 170.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.12 -5.84 2.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -119.48 134.26 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.737 0.699 . . . . 0.0 110.557 -174.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -123.49 141.89 51.55 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.216 1.006 . . . . 0.0 109.923 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.98 137.58 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.204 1.402 . . . . 0.0 107.992 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -130.91 128.03 39.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -83.78 101.35 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 170.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.13 -33.1 69.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.855 0.462 . . . . 0.0 110.457 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.74 -167.31 38.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.1 p -145.92 136.1 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.302 1.041 . . . . 0.0 112.082 -166.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -150.14 127.57 11.47 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.93 0.892 . . . . 0.0 110.62 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.6 42.7 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.2 mm100 -90.25 -13.42 35.43 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.025 0.53 . . . . 0.0 111.45 171.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -80.7 144.62 32.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.762 1.225 . . . . 0.0 111.575 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -138.44 116.73 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -170.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -80.48 113.62 18.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.21 130.64 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 110.2 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.76 15.71 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 124.472 1.034 . . . . 0.0 111.488 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.69 126.99 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.632 1.173 . . . . 0.0 108.919 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -128.44 98.99 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.43 72.56 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.553 1.141 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.99 158.94 36.19 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.838 2.358 . . . . 0.0 112.084 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -68.57 -0.87 5.63 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 123.569 0.748 . . . . 0.0 112.584 169.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.98 -24.5 67.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.845 1.258 . . . . 0.0 111.59 169.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.74 153.93 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.267 1.027 . . . . 0.0 110.451 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.9 154.6 20.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.325 172.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.1 127.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.705 0.402 . . . . 0.0 110.503 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -150.59 165.46 33.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.284 1.034 . . . . 0.0 110.131 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ptt85 -77.95 161.99 27.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.806 -0.559 . . . . 0.0 109.617 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.44 -26.84 61.8 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.53 -47.29 82.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.121 0.968 . . . . 0.0 111.54 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.49 -34.31 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 123.184 0.594 . . . . 0.0 109.909 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -50.34 -35.87 29.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.921 0.888 . . . . 0.0 112.795 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -60.47 -21.93 62.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.172 0.989 . . . . 0.0 112.759 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -73.14 -49.37 28.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -64.3 -23.03 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.07 1.348 . . . . 0.0 110.823 -177.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -85.24 -40.51 16.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.93 -32.18 7.68 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -167.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.91 -24.1 1.72 Allowed Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.046 0.831 . . . . 0.0 112.788 -169.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 65.25 167.35 0.18 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 128.419 2.688 . . . . 0.0 113.572 169.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 40.9 p -102.02 -6.03 23.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.952 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.73 133.19 18.81 Favored Pre-proline 0 N--CA 1.453 -0.325 0 C-N-CA 124.048 0.939 . . . . 0.0 110.043 172.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -64.73 177.43 2.28 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.117 2.544 . . . . 0.0 113.436 171.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 N--CA 1.454 -0.243 0 C-N-CA 124.408 1.083 . . . . 0.0 112.704 174.646 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.753 -0.091 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.04 148.44 25.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.075 0.55 . . . . 0.0 111.51 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.31 138.22 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.596 0.758 . . . . 0.0 109.831 172.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -133.2 161.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.967 1.307 . . . . 0.0 110.428 177.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 101.01 7.42 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.7 131.45 53.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.16 1.384 . . . . 0.0 110.134 -174.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -99.15 166.01 11.44 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.683 1.128 . . . . 0.0 112.969 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.3 m -52.41 139.31 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -7.68 79.55 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.21 0.91 . . . . 0.0 113.882 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -91.79 165.75 13.11 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.578 1.189 . . . . 0.0 111.688 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -128.35 155.26 44.95 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -136.43 159.44 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.951 2.1 . . . . 0.0 107.661 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.38 148.98 46.62 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.495 -0.753 . . . . 0.0 112.558 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 mt -136.19 140.82 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.621 1.168 . . . . 0.0 109.093 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.68 -139.04 48.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.69 10.14 11.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.998 0.919 . . . . 0.0 111.851 170.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.94 -16.91 1.43 Allowed 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.55 137.1 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 119.072 0.851 . . . . 0.0 110.643 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -124.15 141.3 52.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.072 0.949 . . . . 0.0 110.202 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.32 137.72 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.321 1.448 . . . . 0.0 108.025 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -136.16 130.07 32.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.862 0.465 . . . . 0.0 109.932 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.64 112.73 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -84.43 -27.65 27.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.032 0.533 . . . . 0.0 111.305 -172.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.66 -177.01 36.35 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 122.909 0.29 . . . . 0.0 113.626 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 p -135.05 136.07 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 124.299 1.04 . . . . 0.0 111.854 -169.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -140.91 89.98 2.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.038 1.335 . . . . 0.0 109.623 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.39 -130.45 40.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.85 -20.19 60.5 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.106 0.562 . . . . 0.0 111.838 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -87.73 129.08 35.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.762 0.825 . . . . 0.0 110.322 -177.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.0 123.05 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -87.89 127.18 35.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.87 142.0 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.586 0.755 . . . . 0.0 110.408 -168.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.85 142.17 14.44 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 123.968 0.794 . . . . 0.0 111.646 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.01 138.87 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.605 1.162 . . . . 0.0 109.614 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -131.84 106.82 8.33 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.013 0.925 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.82 157.86 76.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 124.186 0.994 . . . . 0.0 111.306 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.72 162.07 33.19 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 122.982 2.455 . . . . 0.0 112.172 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -71.71 -4.25 26.42 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.428 0.691 . . . . 0.0 112.529 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.76 -20.64 64.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.677 1.191 . . . . 0.0 112.361 171.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -127.07 163.93 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.949 0.9 . . . . 0.0 111.025 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.82 161.02 13.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.36 0.664 . . . . 0.0 111.23 171.201 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.03 126.19 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.413 0.685 . . . . 0.0 110.258 170.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -152.67 175.2 13.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.313 1.045 . . . . 0.0 110.028 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.97 162.91 26.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.776 -0.578 . . . . 0.0 109.843 168.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.5 -29.87 69.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.888 0.475 . . . . 0.0 112.176 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.72 -45.27 77.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.107 0.963 . . . . 0.0 111.709 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.04 -31.56 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.664 0.786 . . . . 0.0 110.249 -170.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -49.81 -35.67 23.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.392 1.077 . . . . 0.0 112.747 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -59.64 -22.0 61.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.132 0.973 . . . . 0.0 112.617 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.48 -49.03 28.84 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.133 0.573 . . . . 0.0 109.476 174.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 2.1 mp -63.93 -23.09 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.242 1.417 . . . . 0.0 110.732 -177.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -85.08 -41.28 15.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 115.672 1.731 . . . . 0.0 115.672 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.42 -32.87 7.92 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -166.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.1 -20.92 1.76 Allowed Glycine 0 CA--C 1.526 0.719 0 C-N-CA 124.101 0.857 . . . . 0.0 113.01 -169.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 62.03 -176.72 0.13 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.82 2.448 . . . . 0.0 112.875 169.72 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 34.0 p -81.59 -13.99 57.32 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.272 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.86 93.09 18.08 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.278 1.031 . . . . 0.0 109.987 171.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.33 -41.23 75.16 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.664 2.91 . . . . 0.0 112.924 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.452 -0.346 0 C-N-CA 123.116 0.566 . . . . 0.0 110.8 -168.859 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 112.082 3.882 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.757 3.557 . 0.355 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 O4'-C1'-N19 112.771 4.571 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.324 4.124 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C3'-C2'-C1' 104.274 3.082 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 C5'-C4'-C3' 108.498 -4.668 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 1 C5'-C4'-C3' 109.076 -4.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 C3'-C2'-C1' 104.07 2.856 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 O4'-C1'-N19 111.124 2.924 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 0 C3'-C2'-C1' 104.808 3.676 . 0.314 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 O4'-C1'-N19 111.26 3.06 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 C3'-C2'-C1' 103.743 2.492 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 110.61 -3.26 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 100.304 -2.396 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.846 3.646 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.64 3.44 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C5'-C4'-C3' 109.932 -3.712 . 0.773 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C5'-C4'-C3' 109.849 -3.767 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 O4'-C1'-N19 111.652 3.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 2 O4'-C1'-N19 113.247 5.047 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 O4'-C1'-N19 112.801 4.601 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 110.977 2.777 . 0.129 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O4'-C1'-N19 112.519 4.319 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 O4'-C1'-N19 112.208 4.008 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 N19-C1'-C2' 109.105 -2.685 . 0.804 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 O5'-C5'-C4' 114.155 2.825 . 0.315 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.415 ' H21' ' CG ' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 N19-C1'-C2' 116.846 2.154 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.389 0 C5'-C4'-C3' 112.309 -2.127 . 0.065 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C5'-C4'-C3' 111.179 -2.881 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 O4'-C1'-N19 111.834 3.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 C4'-C3'-C2' 100.28 -2.42 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.056 2.856 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 112.463 4.263 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.964 3.764 . 0.4 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C4'-C3'-C2' 99.78 -2.92 . 0.269 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.365 3.165 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 0 O4'-C1'-N19 111.651 3.451 . 0.474 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 O4'-C1'-N19 112.077 3.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 C3'-C2'-C1' 104.28 3.089 . 0.323 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 1 O4'-C1'-N19 113.15 4.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 1 C5'-C4'-C3' 108.82 -4.453 . 0.027 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . 0.468 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.282 2 C3'-C2'-C1' 105.974 4.971 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . 0.468 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 C5'-C4'-C3' 109.831 -3.779 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 1 O4'-C1'-N19 112.781 4.581 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 1 O4'-C1'-N19 112.371 4.171 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.356 3.156 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 112.044 3.844 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.436 HO2' ' P ' ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 C3'-C2'-C1' 105.311 4.235 OUTLIER-EPSILON 0.07 1a . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.436 ' P ' HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 98.798 -3.902 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 110.945 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 C5'-C4'-C3' 111.429 -2.714 . 0.403 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.443 1 O5'-C5'-C4' 117.266 5.047 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C5'-C4'-C3' 111.693 -2.538 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 1 O4'-C1'-N19 112.255 4.055 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 100.239 -2.461 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 110.975 2.775 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 C3'-C2'-C1' 104.307 3.119 . 0.343 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.492 4.292 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 1 O4'-C1'-N19 112.322 4.122 . 0.147 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 111.597 3.397 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O4'-C1'-N19 112.005 3.805 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 111.379 3.179 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.406 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C3'-C2'-C1' 105.073 3.971 . 0.42 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.406 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C4'-C3'-C2' 99.603 -3.097 . 0.122 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 O4'-C1'-N19 110.771 2.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . 0.483 " C3'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.484 0 C3'-C2'-C1' 104.341 3.157 . 0.449 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.49 " H4'" " C5'" ' G' ' 68' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.409 -3.684 2 O5'-C5'-C4' 118.893 6.21 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . 0.49 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 P-O3'-C3' 125.794 5.078 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 O4'-C1'-N19 110.788 2.588 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 1 O4'-C1'-N19 112.686 4.486 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 111.363 3.163 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.464 3.264 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 ttp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.7 113.02 24.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.544 0.737 . . . . 0.0 109.783 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.06 134.97 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.572 0.749 . . . . 0.0 109.269 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -131.86 166.75 20.9 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.212 1.005 . . . . 0.0 109.724 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -126.98 132.95 50.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.774 0.83 . . . . 0.0 108.804 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -125.9 170.46 11.64 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.744 0.817 . . . . 0.0 109.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -132.18 158.11 42.56 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 67.3 t -46.45 123.96 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 120.623 0.249 . . . . 0.0 111.037 -178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.26 -4.82 58.76 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.567 1.08 . . . . 0.0 114.388 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -96.0 172.39 8.03 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.764 1.282 . . . . 0.0 112.284 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -141.2 160.49 39.99 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -168.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.45 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.9 mm -132.96 155.34 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 126.839 2.055 . . . . 0.0 108.12 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -129.24 144.21 51.14 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.407 1.083 . . . . 0.0 111.015 -177.385 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -135.84 127.82 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.769 0.828 . . . . 0.0 109.548 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.96 -131.24 48.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -173.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.42 4.99 5.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.888 0.875 . . . . 0.0 112.723 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -121.37 -17.67 7.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.35 135.83 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 119.071 0.85 . . . . 0.0 110.856 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -131.28 143.17 50.35 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.437 1.095 . . . . 0.0 109.945 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -122.08 143.92 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.166 1.386 . . . . 0.0 108.729 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -139.21 132.95 30.68 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.504 0.722 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -84.56 98.88 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.45 -28.89 63.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.075 -0.39 . . . . 0.0 110.167 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.61 -178.06 46.52 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 123.476 0.56 . . . . 0.0 113.259 169.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.22 146.94 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.801 0.84 . . . . 0.0 110.912 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.9 m -138.02 63.45 1.54 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.776 1.23 . . . . 0.0 110.294 -169.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -121.49 8.09 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.27 -5.67 54.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.097 0.559 . . . . 0.0 111.787 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.99 157.67 16.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.665 0.745 . . . . 0.0 111.995 170.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.22 128.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.903 1.681 . . . . 0.0 108.959 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -109.44 101.95 10.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.362 0.665 . . . . 0.0 110.705 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -116.02 136.34 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.445 1.098 . . . . 0.0 110.474 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.25 143.3 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.306 0.955 . . . . 0.0 111.831 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.31 138.43 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.637 1.575 . . . . 0.0 108.308 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -127.22 75.03 1.55 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.593 1.157 . . . . 0.0 109.161 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.27 154.39 42.91 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.417 1.487 . . . . 0.0 110.582 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.46 155.49 55.18 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.529 2.153 . . . . 0.0 110.677 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -68.54 -2.56 9.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.92 -30.65 71.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.914 0.886 . . . . 0.0 111.26 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -119.99 144.01 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 122.025 0.916 . . . . 0.0 111.74 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.09 143.02 37.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.327 1.051 . . . . 0.0 111.51 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.38 116.33 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 C-N-CA 123.344 0.657 . . . . 0.0 109.381 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 -150.91 156.87 42.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 ptm85 -78.32 152.8 32.2 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.659 0.784 . . . . 0.0 112.074 173.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.85 -27.3 67.42 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.981 0.513 . . . . 0.0 112.124 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -68.12 -13.08 61.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.85 0.86 . . . . 0.0 112.574 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.46 -23.3 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.969 1.308 . . . . 0.0 111.048 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.39 -31.0 71.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.4 -0.812 . . . . 0.0 110.252 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -73.55 -12.05 60.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.811 0.844 . . . . 0.0 111.832 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.57 -33.74 31.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.483 1.113 . . . . 0.0 110.793 169.159 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 42.4 mt -65.46 -51.96 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.355 1.062 . . . . 0.0 109.007 178.029 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 77.8 mm-40 -83.94 5.12 26.68 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.562 0.745 . . . . 0.0 112.053 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.77 79.02 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.112 0.565 . . . . 0.0 111.972 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.78 31.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.98 -0.344 . . . . 0.0 113.556 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.0 mt -116.18 -172.99 2.28 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.994 1.318 . . . . 0.0 108.217 178.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.0 p 53.72 28.09 7.72 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.964 1.306 . . . . 0.0 113.723 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.04 154.36 75.07 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 123.882 0.873 . . . . 0.0 111.334 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -72.17 160.82 46.33 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.043 2.495 . . . . 0.0 112.063 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.451 -0.406 0 C-N-CA 124.692 1.197 . . . . 0.0 111.685 175.671 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 119.397 -0.335 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -110.92 120.2 41.59 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.983 1.313 . . . . 0.0 107.801 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -117.45 140.08 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -165.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -132.74 135.4 45.72 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.576 1.15 . . . . 0.0 110.898 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -105.22 104.39 14.11 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 27.9 mtm-85 -112.63 173.14 6.52 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.829 1.252 . . . . 0.0 110.065 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -114.7 166.96 11.18 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 118.182 0.446 . . . . 0.0 111.866 169.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.57 132.65 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.456 0.646 . . . . 0.0 111.178 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -1.35 71.35 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 114.609 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -76.68 159.74 29.96 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.251 1.525 . . . . 0.0 112.305 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -134.91 141.21 46.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.656 1.183 . . . . 0.0 110.548 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 41.2 mm -132.56 151.31 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 125.951 1.7 . . . . 0.0 109.153 -172.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -126.95 143.06 51.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.283 1.033 . . . . 0.0 111.015 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -132.51 131.28 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.001 0.921 . . . . 0.0 109.631 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -133.78 52.6 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.08 5.03 5.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.801 . . . . 0.0 112.784 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -113.04 -19.29 11.94 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.98 136.95 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.015 0.825 . . . . 0.0 111.755 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -131.66 149.84 52.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.87 1.268 . . . . 0.0 109.766 169.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -132.0 144.64 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 126.124 1.77 . . . . 0.0 108.345 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -137.92 130.45 29.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.064 0.546 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.78 103.39 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -73.68 -32.41 63.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.126 -0.359 . . . . 0.0 110.649 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.25 176.66 35.48 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 172.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.03 146.23 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 75.8 m -120.18 75.28 1.09 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 169.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.62 -118.41 4.74 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.64 -174.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.17 8.29 43.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.323 0.649 . . . . 0.0 111.045 173.437 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.99 160.16 14.46 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.147 0.979 . . . . 0.0 110.334 170.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -142.92 115.0 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.34 1.056 . . . . 0.0 109.421 -168.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.15 120.72 32.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.267 1.427 . . . . 0.0 109.635 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.4 130.01 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.215 1.006 . . . . 0.0 110.258 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.44 141.56 15.63 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -126.59 132.15 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.756 0.823 . . . . 0.0 109.201 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.85 74.9 1.6 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.327 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.8 48.93 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.22 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -57.0 153.49 37.96 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 121.744 1.629 . . . . 0.0 110.882 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -68.19 -0.81 5.04 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.271 0.628 . . . . 0.0 112.14 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.86 -27.31 68.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.929 1.691 . . . . 0.0 112.428 170.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.32 144.11 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.315 1.046 . . . . 0.0 110.567 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.547 ' HB3' ' HE2' ' B' ' 43' ' ' HIS . . . -84.92 141.55 30.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.589 0.709 . . . . 0.0 112.055 170.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -145.81 101.77 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.294 -166.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.547 ' HE2' ' HB3' ' B' ' 41' ' ' ALA . 0.1 OUTLIER -147.98 166.86 26.43 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.605 0.762 . . . . 0.0 111.155 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.45 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 13.8 ptt180 -70.52 159.92 33.41 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.555 0.742 . . . . 0.0 112.015 169.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -53.39 -45.22 69.21 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 123.667 0.787 . . . . 0.0 112.433 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -69.15 -3.33 13.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mm -107.29 -49.07 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.417 1.087 . . . . 0.0 110.434 170.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -46.04 -43.6 14.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.609 1.164 . . . . 0.0 111.037 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.14 -15.46 59.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.071 1.349 . . . . 0.0 113.967 -169.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? -91.15 -31.65 16.13 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.877 0.762 . . . . 0.0 111.755 175.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.78 -62.09 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.467 1.107 . . . . 0.0 112.911 -166.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.81 0.48 2.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.774 -0.579 . . . . 0.0 112.543 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.72 -18.83 62.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.384 0.674 . . . . 0.0 111.855 169.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.39 31.9 0.09 OUTLIER Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.132 -0.815 . . . . 0.0 114.931 168.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -168.45 -173.02 1.84 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.494 1.147 . . . . 0.0 112.705 -167.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p -134.67 -168.41 2.15 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.923 1.289 . . . . 0.0 109.965 169.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.27 120.91 1.98 Allowed Pre-proline 0 N--CA 1.454 -0.269 0 C-N-CA 124.234 1.014 . . . . 0.0 111.082 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -62.96 161.53 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 121.786 1.657 . . . . 0.0 114.498 -168.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 125.788 1.635 . . . . 0.0 113.352 -175.571 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.794 -0.622 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.76 109.88 20.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.157 0.983 . . . . 0.0 108.394 169.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.49 136.2 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.733 0.813 . . . . 0.0 109.797 176.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.72 134.95 47.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.161 0.984 . . . . 0.0 109.912 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.3 p -85.9 144.13 27.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -145.68 140.17 27.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.544 0.338 . . . . 0.0 110.381 -178.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.442 ' HE2' ' OP2' ' G' ' 4' ' ' ' C' . 18.4 ttpp -109.52 148.88 30.46 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -53.09 135.54 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.52 -8.2 77.16 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.563 1.554 . . . . 0.0 114.351 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -85.52 -177.77 6.51 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.304 1.552 . . . . 0.0 112.457 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -148.39 160.49 42.97 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -167.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.7 mt -138.4 156.18 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 127.413 2.285 . . . . 0.0 108.922 179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -126.52 146.66 50.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.047 1.339 . . . . 0.0 111.215 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -133.17 133.81 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.288 1.035 . . . . 0.0 108.908 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -135.02 50.3 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -169.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.65 10.06 6.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.886 0.874 . . . . 0.0 112.255 169.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -117.6 -14.87 10.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.022 0.929 . . . . 0.0 113.179 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.44 135.29 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.904 0.774 . . . . 0.0 110.698 -172.777 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -132.71 146.3 51.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.227 1.411 . . . . 0.0 108.776 174.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.14 140.59 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.356 0.663 . . . . 0.0 109.474 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -124.91 135.65 53.05 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.145 0.978 . . . . 0.0 110.638 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.86 109.16 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 168.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -85.46 -35.45 21.22 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.868 -0.52 . . . . 0.0 109.733 -172.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.32 -173.12 44.78 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.979 -0.153 . . . . 0.0 112.906 168.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.85 158.39 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.061 0.544 . . . . 0.0 110.765 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -138.79 67.8 1.39 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.053 1.341 . . . . 0.0 108.529 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.03 -110.36 3.02 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.2 -9.64 32.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.191 0.996 . . . . 0.0 112.103 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.3 158.08 34.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.868 0.842 . . . . 0.0 111.882 169.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.97 114.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -79.4 112.38 16.58 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 mt -115.83 133.38 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.917 1.287 . . . . 0.0 109.255 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 126.64 7.97 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 123.611 0.624 . . . . 0.0 111.759 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -107.87 123.82 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.36 1.064 . . . . 0.0 108.73 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -115.37 97.15 6.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.982 0.913 . . . . 0.0 109.972 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.8 154.79 80.66 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.009 0.924 . . . . 0.0 110.029 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.31 155.13 48.08 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.882 2.388 . . . . 0.0 111.298 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . 0.534 ' HE2' ' N3 ' ' G' ' 65' ' ' ' G' . 0.0 OUTLIER -70.59 -0.94 9.62 Favored 'General case' 0 CA--C 1.527 0.063 0 O-C-N 121.986 -0.446 . . . . 0.0 111.553 175.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.86 -23.72 66.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.867 1.267 . . . . 0.0 111.689 171.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.56 147.46 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.913 0.885 . . . . 0.0 110.559 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.96 153.9 21.86 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.607 0.363 . . . . 0.0 111.281 175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -135.48 138.75 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.996 0.518 . . . . 0.0 109.793 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -155.49 156.37 35.11 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.758 0.823 . . . . 0.0 110.594 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -67.02 156.0 37.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 166.349 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.68 -29.99 71.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.94 0.791 . . . . 0.0 111.285 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.79 -24.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.518 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.25 -36.68 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.544 0.738 . . . . 0.0 110.617 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -53.88 -35.45 61.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.555 1.142 . . . . 0.0 112.073 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.14 -24.41 67.15 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.322 0.649 . . . . 0.0 112.612 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -71.3 -39.77 71.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.251 0.62 . . . . 0.0 111.793 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.48 -21.92 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -93.61 -5.79 47.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.88 0.872 . . . . 0.0 112.895 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.3 -19.09 34.34 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.983 0.913 . . . . 0.0 112.275 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.63 136.43 8.68 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 123.947 0.784 . . . . 0.0 111.361 -176.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.75 164.41 37.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.239 1.015 . . . . 0.0 111.294 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.3 p -97.51 -9.41 27.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.808 0.843 . . . . 0.0 112.558 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.64 91.09 16.13 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 124.109 0.964 . . . . 0.0 110.537 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.95 -39.37 81.56 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.656 2.904 . . . . 0.0 112.631 172.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 124.552 1.141 . . . . 0.0 110.828 -169.683 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 2.5 tpp . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -109.97 107.08 16.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.102 0.961 . . . . 0.0 109.769 174.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -98.21 142.36 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.922 1.289 . . . . 0.0 110.161 -177.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.81 164.94 28.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.312 1.445 . . . . 0.0 111.612 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -117.78 116.84 27.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -119.38 142.56 48.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 169.16 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -92.7 163.99 13.55 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.919 0.137 . . . . 0.0 110.934 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -49.67 139.18 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 178.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.44 -3.03 85.3 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.208 0.909 . . . . 0.0 114.125 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -91.77 173.41 7.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.676 1.238 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -139.08 164.49 29.64 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.748 0.819 . . . . 0.0 112.768 -173.114 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mt -153.24 163.2 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.554 2.341 . . . . 0.0 108.215 -169.373 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -141.09 150.3 42.72 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.516 1.126 . . . . 0.0 112.237 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -136.81 136.83 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.07 1.348 . . . . 0.0 108.958 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.85 -135.79 51.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -123.46 3.79 9.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.81 0.844 . . . . 0.0 112.243 174.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.06 -4.95 3.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.77 136.33 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.762 0.71 . . . . 0.0 110.639 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -131.27 145.99 52.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.77 1.228 . . . . 0.0 109.719 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -128.46 144.79 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 125.021 1.328 . . . . 0.0 108.438 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -137.13 130.97 31.97 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.861 0.864 . . . . 0.0 109.166 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -86.56 108.87 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.7 mt -81.95 -31.55 31.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.283 0.633 . . . . 0.0 110.774 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.79 -178.86 44.62 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 121.03 0.239 . . . . 0.0 113.116 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.31 137.15 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.536 1.135 . . . . 0.0 109.764 177.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -138.31 75.73 1.54 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.014 1.326 . . . . 0.0 109.991 -169.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.95 -119.83 5.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.83 -16.47 53.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.373 1.069 . . . . 0.0 110.489 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.9 158.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 122.298 1.047 . . . . 0.0 112.561 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -137.65 120.96 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.207 1.803 . . . . 0.0 106.878 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -94.95 113.04 24.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.857 0.863 . . . . 0.0 108.787 -176.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.63 126.43 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.539 0.736 . . . . 0.0 110.711 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.12 140.6 15.15 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.039 0.828 . . . . 0.0 111.16 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -129.28 142.21 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.927 0.891 . . . . 0.0 108.703 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -138.06 105.93 5.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.295 0.638 . . . . 0.0 109.296 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.06 155.23 74.56 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 124.187 0.995 . . . . 0.0 109.344 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -60.64 151.51 75.47 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.133 1.888 . . . . 0.0 110.514 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.42 -0.92 2.11 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 169.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.86 -19.94 66.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.971 1.308 . . . . 0.0 111.3 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -131.12 157.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.582 1.153 . . . . 0.0 110.508 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.38 156.99 16.46 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.964 0.506 . . . . 0.0 111.942 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.41 128.88 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 122.876 0.47 . . . . 0.0 110.499 169.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -153.47 167.26 30.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.445 0.698 . . . . 0.0 112.087 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -66.37 161.28 22.88 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.896 0.479 . . . . 0.0 109.967 168.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.63 -39.04 92.56 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.784 -0.573 . . . . 0.0 112.183 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -54.09 -45.57 71.84 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.556 0.743 . . . . 0.0 111.266 171.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . 0.419 HG21 ' C6 ' ' G' ' 7' ' ' ' C' . 19.2 mm -79.92 -40.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 124.276 1.03 . . . . 0.0 110.86 -169.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -49.24 -36.19 19.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.023 1.329 . . . . 0.0 111.988 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -63.86 -22.24 66.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.268 1.027 . . . . 0.0 113.015 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -83.3 -31.94 26.6 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.709 1.14 . . . . 0.0 110.752 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.475 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 2.8 mp -83.03 -18.98 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.273 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -105.03 -17.39 14.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.119 1.367 . . . . 0.0 113.535 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.39 -48.4 5.88 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 119.112 0.869 . . . . 0.0 112.668 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.03 -2.76 3.35 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.452 0.548 . . . . 0.0 113.456 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.458 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 65.64 54.18 1.12 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.561 1.544 . . . . 0.0 110.991 166.496 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 56' ' ' THR . . . . . 0.404 ' CG2' ' H41' ' G' ' 7' ' ' ' C' . 22.0 m -73.52 -27.61 61.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -168.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.73 88.67 52.85 Favored Pre-proline 0 N--CA 1.453 -0.283 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 168.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -64.38 177.18 2.23 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.751 2.967 . . . . 0.0 114.536 -170.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 125.09 1.356 . . . . 0.0 112.519 -175.708 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 tt -127.49 122.87 34.57 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.053 0.941 . . . . 0.0 109.54 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mm -106.68 138.36 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.304 1.042 . . . . 0.0 109.841 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt -137.46 165.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.91 1.284 . . . . 0.0 111.567 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.1 105.99 7.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 166.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.38 126.72 55.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.562 1.545 . . . . 0.0 109.722 -171.375 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -91.47 165.77 13.2 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 119.741 1.155 . . . . 0.0 112.387 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.95 138.99 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -3.21 87.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.889 0.757 . . . . 0.0 114.097 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -92.39 172.65 8.25 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.6 1.2 . . . . 0.0 111.334 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.3 m -139.94 165.67 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -169.427 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -149.99 156.94 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.369 2.268 . . . . 0.0 107.964 -169.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -137.9 152.33 48.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.465 -0.772 . . . . 0.0 113.076 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.23 142.26 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.775 1.23 . . . . 0.0 108.878 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.36 -137.83 49.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 -176.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -125.58 10.01 7.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.75 0.82 . . . . 0.0 111.657 172.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.57 -4.97 2.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.53 137.12 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 118.981 0.81 . . . . 0.0 110.848 -173.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -129.11 144.38 51.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.678 1.191 . . . . 0.0 109.945 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -127.91 138.54 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.122 1.369 . . . . 0.0 108.327 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m -134.15 130.55 37.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.185 0.594 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.32 103.26 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.456 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.35 -30.01 64.32 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.024 -0.423 . . . . 0.0 111.22 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -172.6 34.89 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.181 0.419 . . . . 0.0 113.639 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.83 156.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.801 0.84 . . . . 0.0 112.0 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -143.27 89.92 2.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.126 1.37 . . . . 0.0 108.88 169.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.43 -111.95 4.59 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.587 -0.695 . . . . 0.0 111.531 -173.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -91.28 -21.06 21.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.611 0.705 . . . . 0.0 111.806 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.35 146.94 48.49 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -136.76 117.39 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -87.63 126.59 35.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.64 133.36 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.379 0.672 . . . . 0.0 110.549 -168.103 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.57 139.26 14.35 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.436 1.017 . . . . 0.0 111.111 171.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.1 mt -133.23 127.85 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.853 1.261 . . . . 0.0 108.736 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -131.23 98.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.96 154.16 81.94 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.895 1.278 . . . . 0.0 109.515 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -57.05 151.59 49.3 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 121.943 1.762 . . . . 0.0 111.528 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -66.98 -5.26 12.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.078 0.951 . . . . 0.0 111.922 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.81 -28.25 68.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.573 1.949 . . . . 0.0 112.769 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -113.57 163.58 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.894 0.878 . . . . 0.0 110.627 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.36 153.91 17.45 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.99 126.47 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.305 0.642 . . . . 0.0 110.486 169.691 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -151.77 169.19 22.83 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.494 1.118 . . . . 0.0 109.684 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -80.03 165.66 22.33 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.604 -0.685 . . . . 0.0 110.342 169.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.46 -28.39 68.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.927 0.491 . . . . 0.0 112.153 -170.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.2 -44.32 95.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.241 1.016 . . . . 0.0 112.355 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -88.12 -28.38 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.66 0.784 . . . . 0.0 110.02 -170.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -53.43 -35.61 60.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.888 0.875 . . . . 0.0 112.154 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.66 -21.8 63.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.81 -26.13 65.02 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.797 0.726 . . . . 0.0 110.599 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -90.6 -39.68 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.48 1.112 . . . . 0.0 109.925 -173.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -75.8 3.09 10.6 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.58 -5.63 25.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.358 1.063 . . . . 0.0 113.318 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.53 26.78 0.52 Allowed Glycine 0 CA--C 1.525 0.692 0 CA-C-O 119.462 -0.632 . . . . 0.0 113.719 171.203 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.53 28.47 0.63 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -168.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -62.89 -23.91 67.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.418 -0.801 . . . . 0.0 111.249 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.95 99.13 32.29 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.834 1.254 . . . . 0.0 108.396 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -65.08 177.12 2.63 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.128 2.552 . . . . 0.0 113.618 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 124.161 0.984 . . . . 0.0 111.945 176.829 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.08 146.89 25.09 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.149 0.58 . . . . 0.0 110.953 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.8 135.67 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.467 0.707 . . . . 0.0 109.25 171.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.48 164.84 23.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.979 1.312 . . . . 0.0 110.619 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 101.88 5.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 168.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -115.04 140.92 48.66 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.409 1.084 . . . . 0.0 111.033 -177.486 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -92.55 172.84 8.11 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -60.66 139.49 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.315 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.93 -2.14 87.78 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 123.97 0.795 . . . . 0.0 113.868 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -88.29 173.19 8.91 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.585 1.193 . . . . 0.0 112.112 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -137.41 153.99 50.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.782 0.833 . . . . 0.0 112.144 -173.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 26.3 mt -140.87 151.18 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 125.687 1.595 . . . . 0.0 108.609 -178.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -125.86 147.1 49.55 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.781 0.832 . . . . 0.0 111.576 -173.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -134.75 137.46 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.414 1.086 . . . . 0.0 109.187 173.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.57 -135.0 52.14 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -173.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -128.71 10.07 6.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.063 0.945 . . . . 0.0 112.34 171.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.12 -15.78 4.66 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.78 133.73 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.07 0.85 . . . . 0.0 110.525 -172.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -128.76 142.63 50.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.017 0.927 . . . . 0.0 110.5 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.1 mm -121.46 140.34 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.32 1.448 . . . . 0.0 108.615 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.61 131.83 40.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.591 0.756 . . . . 0.0 109.844 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -89.95 114.77 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.07 -27.75 24.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.032 0.533 . . . . 0.0 111.111 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 -171.95 34.42 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 113.898 0.319 . . . . 0.0 113.898 170.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -124.52 159.65 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.623 0.769 . . . . 0.0 112.221 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.51 90.06 1.69 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.916 1.286 . . . . 0.0 109.074 169.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.27 -111.72 3.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -174.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -91.14 -21.82 20.99 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.454 0.627 . . . . 0.0 111.722 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -73.36 142.36 47.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.164 0.586 . . . . 0.0 110.099 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.33 114.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -85.71 126.16 33.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.31 143.42 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.066 0.947 . . . . 0.0 110.183 -168.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.41 140.6 15.88 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 124.149 0.881 . . . . 0.0 111.527 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.48 135.7 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.603 1.161 . . . . 0.0 109.351 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -132.91 106.35 7.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.642 0.777 . . . . 0.0 109.744 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 158.68 75.07 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 123.993 0.917 . . . . 0.0 111.364 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -64.4 162.03 32.24 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.04 2.493 . . . . 0.0 112.329 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.74 -4.54 12.64 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 169.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -65.8 -23.01 66.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.356 1.463 . . . . 0.0 112.328 173.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -127.68 163.62 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.226 1.01 . . . . 0.0 111.305 -174.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.58 163.42 13.39 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.311 0.644 . . . . 0.0 111.262 169.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.08 130.11 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.45 0.7 . . . . 0.0 110.216 171.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -153.13 170.77 19.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.15 0.98 . . . . 0.0 110.083 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -76.14 158.56 31.61 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 167.48 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.94 -22.48 67.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.843 -0.536 . . . . 0.0 112.213 -169.545 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -55.82 -41.57 74.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.799 0.839 . . . . 0.0 111.853 171.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.95 -34.03 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.811 0.845 . . . . 0.0 110.233 -171.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.97 -35.86 47.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.022 0.929 . . . . 0.0 112.56 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -59.34 -21.91 60.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.136 0.975 . . . . 0.0 112.877 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.77 -39.96 66.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.586 0.63 . . . . 0.0 109.787 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.6 mp -73.92 -23.01 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.32 1.048 . . . . 0.0 110.207 -177.343 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -85.33 -55.78 3.86 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.15 -5.25 16.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -166.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.08 53.37 0.42 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -171.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . 0.548 ' H ' HD21 ' F' ' 55' ' ' LEU . 0.7 OUTLIER -45.43 141.49 2.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.481 1.912 . . . . 0.0 114.036 -165.147 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -89.14 -12.45 41.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.72 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.66 92.11 15.18 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 124.209 1.003 . . . . 0.0 110.056 171.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -68.16 -179.03 1.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.231 2.62 . . . . 0.0 113.358 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.454 -0.268 0 C-N-CA 124.731 1.212 . . . . 0.0 112.958 179.027 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 112.005 3.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 111.462 3.262 . 0.327 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 1 O4'-C1'-N19 112.888 4.688 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . 0.442 ' OP2' ' HE2' ' C' ' 7' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 O4'-C1'-N19 112.321 4.121 . 0.154 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C3'-C2'-C1' 104.201 3.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 C5'-C4'-C3' 108.433 -4.711 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . 0.419 ' C6 ' HG21 ' D' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.98 1 C5'-C4'-C3' 107.614 -5.257 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C3'-C2'-C1' 103.863 2.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 0 O5'-C5'-C4' 113.738 2.527 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 C3'-C2'-C1' 104.94 3.822 . 0.069 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 O4'-C1'-N19 111.664 3.464 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . 0.527 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 C3'-C2'-C1' 103.497 2.219 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 C5'-C4'-C3' 110.811 -3.126 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 100.535 -2.165 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 111.729 3.529 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 98.864 -3.836 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O5'-C5'-C4' 113.627 2.448 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C5'-C4'-C3' 111.496 -2.669 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 111.004 2.804 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 O4'-C1'-N19 111.82 3.62 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 112.648 4.448 . 0.31 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 O4'-C1'-N19 110.801 2.601 . 0.268 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 1 O4'-C1'-N19 112.824 4.624 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 112.082 3.882 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 109.958 -3.694 . 0.528 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.875 0 O5'-C5'-C4' 115.194 3.567 . 0.422 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.504 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 N19-C1'-C2' 117.125 2.328 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.4 0 P-O3'-C3' 121.855 1.796 . 0.033 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C5'-C4'-C3' 111.561 -2.626 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.569 3.369 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 100.307 -2.393 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 111.115 2.915 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.305 4.105 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 99.193 -3.507 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 99.517 -3.183 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.459 3.259 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 P-O3'-C3' 122.577 2.398 . 0.017 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C5'-C4'-C3' 110.471 -3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . 0.413 HO2' ' P ' ' G' ' 40' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.364 0 C3'-C2'-C1' 104.021 2.801 . 0.177 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . 0.413 ' P ' HO2' ' G' ' 39' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 O4'-C1'-N19 114.235 6.035 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.386 0 C5'-C4'-C3' 110.068 -3.621 . 0.117 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . 0.421 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.255 2 O4'-C1'-N19 114.624 6.424 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 019 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . 0.421 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.173 1 O4'-C1'-N19 114.676 6.476 . 0.01 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 O4'-C1'-N19 112.344 4.144 . 0.18 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O4'-C1'-N19 112.466 4.266 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 99.793 -2.907 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-N19 112.082 3.882 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.502 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C3'-C2'-C1' 104.637 3.485 . 0.2 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.502 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 99.804 -2.896 . 0.019 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O4'-C1'-N19 111.421 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C5'-C4'-C3' 110.801 -3.132 . 0.418 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 1 O5'-C5'-C4' 117.04 4.886 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C5'-C4'-C3' 111.874 -2.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.253 4.053 . 0.918 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C4'-C3'-C2' 100.319 -2.381 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 110.979 2.779 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 110.796 -3.136 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 112.023 3.823 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 1 O4'-C1'-N19 112.21 4.01 . 0.374 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.421 3.221 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.273 4.073 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.735 3.535 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.452 HO2' " C5'" ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C3'-C2'-C1' 103.916 2.685 . 0.228 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.452 " C5'" HO2' ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 99.477 -3.223 . 0.036 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . 0.534 ' N3 ' ' HE2' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -2.991 1 C3'-C2'-C1' 106.117 5.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.493 0 C5'-C4'-C3' 110.321 -3.453 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 2 C5'-C4'-C3' 105.408 -6.728 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 1 P-O3'-C3' 125.477 4.814 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 110.834 2.634 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.633 4.433 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C4'-C3'-C2' 99.686 -3.014 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.275 3.075 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.167 -0.444 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.74 116.09 31.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.722 0.809 . . . . 0.0 109.587 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.43 133.91 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.838 0.855 . . . . 0.0 109.779 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -135.07 155.56 50.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.738 1.215 . . . . 0.0 110.427 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 m -128.03 114.98 17.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.337 1.055 . . . . 0.0 110.366 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -138.41 149.12 45.2 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-N 119.116 0.871 . . . . 0.0 111.667 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.09 161.05 15.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.768 0.427 . . . . 0.0 111.363 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.3 t -40.11 128.5 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.241 1.016 . . . . 0.0 111.276 170.429 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.5 -9.25 71.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.348 0.975 . . . . 0.0 114.136 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -89.86 173.93 7.97 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.576 1.188 . . . . 0.0 111.858 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 156.0 41.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -170.014 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.432 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.2 mm -121.43 155.59 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 126.643 1.977 . . . . 0.0 109.7 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -125.45 140.35 52.86 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.488 1.115 . . . . 0.0 110.845 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -134.0 132.77 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.89 -128.64 26.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -128.14 -1.37 5.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.917 0.887 . . . . 0.0 112.281 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.21 -17.51 1.82 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.5 mt -106.1 137.51 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.415 0.686 . . . . 0.0 110.363 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -136.16 145.22 45.54 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.579 0.752 . . . . 0.0 109.566 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.4 mm -127.29 139.3 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.483 1.113 . . . . 0.0 108.509 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -134.61 133.43 40.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.247 0.619 . . . . 0.0 110.052 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -84.55 95.91 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -25.09 62.61 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.774 -0.579 . . . . 0.0 110.43 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.65 -167.95 40.92 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 118.145 0.429 . . . . 0.0 113.847 169.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -130.51 164.88 32.27 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 124.147 0.979 . . . . 0.0 111.505 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -147.36 74.41 1.33 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.225 1.01 . . . . 0.0 110.02 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.48 -126.1 12.47 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -84.68 9.07 14.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.319 0.559 . . . . 0.0 112.099 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -100.84 157.58 16.62 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.817 0.817 . . . . 0.0 111.279 167.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -137.8 126.78 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 125.76 1.624 . . . . 0.0 108.396 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -103.21 101.87 11.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.692 0.797 . . . . 0.0 110.231 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -108.42 129.07 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.932 1.293 . . . . 0.0 109.267 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.15 141.31 15.3 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 123.955 0.788 . . . . 0.0 111.346 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 62.6 mt -117.11 132.23 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 125.128 1.371 . . . . 0.0 108.317 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -122.04 74.94 1.18 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.527 1.131 . . . . 0.0 109.409 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.84 153.71 42.93 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.049 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -72.73 155.76 53.75 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.649 2.233 . . . . 0.0 110.339 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -69.36 -1.09 7.4 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.91 -31.07 71.79 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.813 0.845 . . . . 0.0 111.247 168.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.72 144.03 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 123.824 0.85 . . . . 0.0 111.561 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.02 143.04 31.84 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.837 0.855 . . . . 0.0 110.97 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 29.2 m -134.31 123.79 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.227 0.611 . . . . 0.0 110.268 171.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -153.42 158.91 42.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.775 0.43 . . . . 0.0 111.761 -171.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -74.62 164.62 26.37 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.991 0.516 . . . . 0.0 110.373 167.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.79 -32.21 63.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.761 -0.587 . . . . 0.0 112.213 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -72.85 -1.34 16.37 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.355 -0.841 . . . . 0.0 113.09 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -121.83 -28.9 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.14 0.976 . . . . 0.0 111.069 175.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.26 -32.42 71.14 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.5 1.045 . . . . 0.0 110.667 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -76.77 -18.3 58.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.528 0.731 . . . . 0.0 112.094 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -78.84 -35.91 43.29 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.574 0.75 . . . . 0.0 110.99 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.28 -49.76 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 109.358 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -83.95 5.06 26.95 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.752 0.821 . . . . 0.0 112.955 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -22.66 67.01 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 173.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.38 -10.08 2.2 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 124.357 0.98 . . . . 0.0 112.784 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 1.9 pp -89.91 90.88 8.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 122.403 1.097 . . . . 0.0 111.025 178.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.5 p -119.54 164.02 16.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.642 -0.661 . . . . 0.0 110.697 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.17 147.79 54.97 Favored Pre-proline 0 N--CA 1.452 -0.342 0 CA-C-O 119.462 -0.304 . . . . 0.0 110.549 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.62 -29.47 79.53 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.246 2.63 . . . . 0.0 114.312 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.453 -0.325 0 C-N-CA 124.858 1.263 . . . . 0.0 113.663 178.162 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.433 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 34.9 tpp . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 119.629 -0.224 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.18 120.88 41.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 168.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 56.3 mt -118.68 140.88 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.591 . . . . 0.0 111.987 -165.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.14 145.11 47.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.044 1.337 . . . . 0.0 110.748 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -121.08 100.97 7.37 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 23.9 mtp85 -125.57 162.7 24.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.014 0.926 . . . . 0.0 110.748 -170.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -94.08 168.59 10.85 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -61.12 136.73 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.27 0.557 . . . . 0.0 111.164 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.54 -2.01 79.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 119.192 -0.782 . . . . 0.0 114.174 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.36 154.78 22.67 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.752 1.276 . . . . 0.0 111.8 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -124.54 153.31 42.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.573 0.749 . . . . 0.0 111.841 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 38.0 mm -136.53 155.54 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 127.687 2.395 . . . . 0.0 107.687 -169.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -132.92 146.14 51.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.022 0.929 . . . . 0.0 111.167 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.94 154.23 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.463 1.105 . . . . 0.0 108.613 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.33 48.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 172.037 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.42 5.14 8.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.781 1.233 . . . . 0.0 109.809 166.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -125.91 3.05 7.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.184 1.794 . . . . 0.0 112.666 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.44 140.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -165.416 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 62.8 m -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.903 1.281 . . . . 0.0 108.016 167.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt -135.93 138.35 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.835 0.854 . . . . 0.0 109.006 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -129.55 131.36 46.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.898 0.479 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -76.47 101.38 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.69 -32.15 69.28 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.037 -0.415 . . . . 0.0 110.657 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.18 -178.24 37.2 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 116.829 -0.169 . . . . 0.0 112.832 172.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.67 154.13 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.263 0.554 . . . . 0.0 110.667 176.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -127.91 77.67 1.77 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.034 1.334 . . . . 0.0 108.405 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.96 -116.4 4.58 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.19 10.03 39.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.219 -0.577 . . . . 0.0 111.584 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -99.01 152.3 19.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.697 1.199 . . . . 0.0 109.398 170.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.02 119.29 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.006 0.523 . . . . 0.0 110.108 -167.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.49 119.21 30.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.649 1.58 . . . . 0.0 109.683 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.05 132.76 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.151 0.981 . . . . 0.0 109.683 -170.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.95 129.03 9.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 35.3 mt -117.08 128.74 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.199 1.0 . . . . 0.0 108.898 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -133.03 74.85 1.59 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.797 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.63 158.57 33.65 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 126.293 1.837 . . . . 0.0 107.243 168.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' PRO . . . . . 0.404 ' C ' ' H ' ' B' ' 39' ' ' ASP . 14.5 Cg_endo -59.23 155.96 37.52 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 121.413 1.408 . . . . 0.0 109.429 168.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -0.84 6.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.868 0.867 . . . . 0.0 111.243 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' B' ' 37' ' ' PRO . 3.3 t70 -65.83 -23.57 66.71 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.448 1.899 . . . . 0.0 111.579 172.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.73 144.08 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.851 1.26 . . . . 0.0 110.116 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.429 ' HB1' ' HE2' ' B' ' 43' ' ' HIS . . . -83.32 141.95 31.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.404 0.621 . . . . 0.0 111.912 171.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' VAL . . . . . 0.451 HG22 ' H1 ' ' G' ' 28' ' ' ' G' . 5.0 t -144.99 99.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.407 1.083 . . . . 0.0 109.108 -166.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.514 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -145.68 163.04 36.14 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 123.917 0.887 . . . . 0.0 111.314 178.276 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ARG . . . . . 0.432 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 30.5 ptt-85 -65.65 154.72 38.04 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.467 0.307 . . . . 0.0 111.001 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -55.08 -35.41 64.53 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 123.373 0.669 . . . . 0.0 112.339 -176.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.56 -52.44 38.91 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.529 0.604 . . . . 0.0 111.14 173.882 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mm -70.23 -44.6 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.477 1.111 . . . . 0.0 110.734 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -50.91 -38.72 51.68 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.984 0.914 . . . . 0.0 112.043 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.5 -25.94 66.11 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -77.88 -41.77 35.59 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 119.031 0.832 . . . . 0.0 110.089 172.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 99.1 mt -63.39 -39.56 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.169 0.587 . . . . 0.0 109.472 -175.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -80.34 3.38 21.31 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.34 -17.41 52.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.274 0.63 . . . . 0.0 111.685 169.214 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.53 48.18 0.1 Allowed Glycine 0 C--N 1.339 0.73 0 CA-C-O 119.529 -0.595 . . . . 0.0 114.118 169.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.04 -177.27 2.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.82 0.81 . . . . 0.0 112.717 -168.307 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 45.3 p -127.6 -174.95 3.32 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.471 1.509 . . . . 0.0 109.332 168.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.36 122.52 4.29 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 123.733 0.813 . . . . 0.0 111.356 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -63.32 168.47 11.08 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.357 2.038 . . . . 0.0 114.689 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 125.219 1.408 . . . . 0.0 113.108 179.444 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.422 -0.323 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 111.29 18.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.655 1.182 . . . . 0.0 108.548 169.73 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.21 134.63 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.454 1.102 . . . . 0.0 109.669 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.3 142.39 50.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.485 1.114 . . . . 0.0 110.432 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.0 p -99.71 140.07 34.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.28 0.632 . . . . 0.0 110.73 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -138.02 140.32 40.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.314 0.646 . . . . 0.0 110.915 173.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -76.2 155.66 34.31 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 168.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.62 132.77 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 O-C-N 121.516 -0.74 . . . . 0.0 111.243 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.55 -2.76 83.13 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.42 1.009 . . . . 0.0 113.988 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -87.81 174.32 8.43 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.12 1.46 . . . . 0.0 111.85 174.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -136.5 157.35 46.99 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -167.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.26 157.13 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 127.582 2.353 . . . . 0.0 108.464 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -132.68 146.55 51.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.081 0.953 . . . . 0.0 111.753 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -135.72 135.03 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.717 1.207 . . . . 0.0 109.614 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -133.61 52.66 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -130.03 9.44 5.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.767 0.827 . . . . 0.0 112.06 168.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -122.64 -12.5 8.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.164 0.985 . . . . 0.0 113.238 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.37 132.07 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 118.821 0.737 . . . . 0.0 110.536 -172.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -129.78 142.43 50.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.019 0.928 . . . . 0.0 109.509 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -120.96 136.9 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.597 1.159 . . . . 0.0 108.611 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -128.44 121.25 28.55 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.84 114.44 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 170.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.29 -43.34 11.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.886 -0.509 . . . . 0.0 110.502 -169.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.85 178.45 48.57 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.676 -0.297 . . . . 0.0 113.397 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.52 154.42 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-O 121.311 0.577 . . . . 0.0 110.701 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.7 m -152.98 109.13 3.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.41 -141.93 28.43 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.697 -169.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.43 5.43 31.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.186 0.994 . . . . 0.0 110.842 168.206 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.89 143.24 26.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.066 1.746 . . . . 0.0 110.402 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.1 t -129.49 118.45 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -77.11 112.45 13.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.1 mt -118.86 129.37 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.925 1.29 . . . . 0.0 109.515 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' HE3' ' D' ' 1' ' ' MET . . . -99.82 141.77 15.63 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 125.341 1.448 . . . . 0.0 112.301 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -128.38 119.5 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.918 1.287 . . . . 0.0 108.482 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -118.31 101.13 7.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.211 0.605 . . . . 0.0 109.848 -174.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.57 156.58 52.81 Favored Pre-proline 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 110.106 -175.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.48 153.97 74.28 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.948 2.432 . . . . 0.0 111.588 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -66.5 -1.04 3.15 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 171.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.88 -23.11 66.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.225 1.01 . . . . 0.0 111.3 169.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.74 146.9 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.156 0.982 . . . . 0.0 110.588 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.94 153.28 22.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.811 0.444 . . . . 0.0 111.055 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 m -136.49 131.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.791 0.437 . . . . 0.0 110.12 169.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -155.42 164.52 38.6 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.497 0.719 . . . . 0.0 111.453 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -79.58 162.16 25.5 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -60.92 -33.1 72.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.206 0.603 . . . . 0.0 111.965 -171.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.29 -44.15 79.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.967 0.907 . . . . 0.0 111.829 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 36.5 mm -91.6 -30.53 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 123.47 0.708 . . . . 0.0 110.822 -171.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -51.26 -34.85 34.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.827 0.851 . . . . 0.0 112.242 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.37 -29.2 70.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.604 0.761 . . . . 0.0 112.601 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -69.63 -34.81 74.59 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.164 0.585 . . . . 0.0 111.607 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.6 mp -69.46 -20.01 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 O-C-N 121.978 -0.451 . . . . 0.0 109.794 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -90.35 -0.08 57.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.759 0.824 . . . . 0.0 112.599 172.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.81 -17.15 16.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.37 1.068 . . . . 0.0 112.937 -176.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.04 135.33 4.96 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -107.09 -44.98 4.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.62 0.768 . . . . 0.0 110.807 -169.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -144.93 139.86 27.88 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.711 1.205 . . . . 0.0 109.178 169.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.38 71.36 1.33 Allowed Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 125.069 1.347 . . . . 0.0 112.882 -169.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -62.05 175.01 2.11 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.451 2.767 . . . . 0.0 114.55 -173.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.1 t0 . . . . . 0 N--CA 1.453 -0.285 0 C-N-CA 124.043 0.937 . . . . 0.0 111.77 172.296 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' MET . . . . . 0.428 ' HE1' ' C5 ' ' G' ' 67' ' ' ' C' . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.608 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.52 111.76 17.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.936 0.894 . . . . 0.0 109.147 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.97 133.29 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.488 1.115 . . . . 0.0 108.871 -170.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.15 160.51 34.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.818 1.247 . . . . 0.0 111.096 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -104.94 110.22 22.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 165.151 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.97 131.1 51.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.411 0.284 . . . . 0.0 110.758 174.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -79.59 153.44 29.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.103 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.0 m -56.02 134.84 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.2 -3.2 79.81 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.266 0.936 . . . . 0.0 114.329 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -96.44 174.08 7.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.046 1.423 . . . . 0.0 112.063 177.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -133.53 159.02 41.66 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.584 0.753 . . . . 0.0 112.804 -171.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.59 157.75 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 127.157 2.183 . . . . 0.0 108.725 -175.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -132.46 144.8 50.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.381 1.072 . . . . 0.0 111.043 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -133.8 132.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.74 1.216 . . . . 0.0 109.07 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -132.99 52.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -172.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -129.97 8.56 5.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.194 0.598 . . . . 0.0 112.354 170.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -125.96 -9.6 6.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.634 0.774 . . . . 0.0 112.896 -176.275 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.57 136.18 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.356 0.662 . . . . 0.0 110.395 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -129.83 146.44 51.56 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.527 1.131 . . . . 0.0 109.662 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.36 143.2 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.585 1.554 . . . . 0.0 107.971 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 79.7 m -138.25 127.27 24.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.134 0.574 . . . . 0.0 109.469 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.1 106.21 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -79.51 -30.66 42.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 110.91 -169.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -174.58 41.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.71 -0.156 . . . . 0.0 112.71 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.33 158.31 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 122.965 0.506 . . . . 0.0 110.745 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -141.33 79.93 1.71 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.688 1.195 . . . . 0.0 108.524 169.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.72 -113.91 4.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.526 -0.629 . . . . 0.0 111.526 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -92.55 -10.25 38.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.317 1.047 . . . . 0.0 110.576 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.37 154.72 20.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.148 0.975 . . . . 0.0 112.184 170.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.86 124.45 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.64 1.576 . . . . 0.0 106.967 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -98.72 113.64 25.81 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.063 0.945 . . . . 0.0 108.661 -173.243 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -123.71 124.53 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.325 0.65 . . . . 0.0 110.396 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.04 141.59 15.68 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.397 0.998 . . . . 0.0 111.177 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -132.02 140.65 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.036 0.934 . . . . 0.0 108.699 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -138.05 102.85 4.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.218 0.607 . . . . 0.0 109.624 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.53 154.7 79.83 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.276 1.031 . . . . 0.0 109.613 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.11 149.85 82.44 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.254 1.97 . . . . 0.0 110.65 170.105 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -68.08 -1.64 6.31 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.97 -22.39 66.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.728 1.211 . . . . 0.0 111.458 168.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.81 157.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.236 1.014 . . . . 0.0 110.6 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.53 157.06 16.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.319 0.648 . . . . 0.0 111.962 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.6 131.93 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 O-C-N 121.748 -0.595 . . . . 0.0 110.571 169.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -153.98 169.73 22.78 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.4 0.68 . . . . 0.0 112.288 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 mpp_? -65.5 156.22 33.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 165.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -62.25 -36.32 81.67 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 121.095 -1.003 . . . . 0.0 111.523 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.8 -22.44 66.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.979 0.912 . . . . 0.0 112.974 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -94.36 -41.3 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.261 1.024 . . . . 0.0 111.166 178.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.86 -35.96 11.22 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.853 1.261 . . . . 0.0 112.516 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -61.61 -25.52 67.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.609 1.164 . . . . 0.0 113.277 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -44.83 63.52 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 119.703 1.138 . . . . 0.0 110.149 -177.385 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 51' ' ' ILE . . . . . 0.462 ' CD1' ' N ' ' D' ' 51' ' ' ILE . 2.0 mp -73.96 -18.84 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 127.073 2.149 . . . . 0.0 109.951 -176.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.95 -22.77 13.08 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.831 1.252 . . . . 0.0 113.556 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.88 -44.01 8.3 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 119.133 0.878 . . . . 0.0 112.955 -175.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.14 5.0 0.21 Allowed Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.26 0.457 . . . . 0.0 113.412 -173.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 55' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 64.39 62.47 0.81 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.816 2.046 . . . . 0.0 110.01 167.334 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m -65.63 -21.79 66.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.754 -167.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.11 136.88 27.0 Favored Pre-proline 0 N--CA 1.451 -0.39 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 164.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.99 176.86 0.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.161 2.574 . . . . 0.0 113.233 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.455 -0.222 0 C-N-CA 124.503 1.121 . . . . 0.0 113.19 -174.506 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ttt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt -124.0 110.28 14.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.13 0.972 . . . . 0.0 109.418 -176.2 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -100.49 135.94 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.853 0.861 . . . . 0.0 109.397 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.43 163.18 28.5 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.122 1.369 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -132.75 100.94 5.09 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -105.01 162.15 13.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.536 1.934 . . . . 0.0 109.127 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -105.91 175.26 5.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.799 0.727 . . . . 0.0 112.507 168.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -55.54 138.99 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.979 0.419 . . . . 0.0 111.975 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.17 -5.78 84.52 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.968 -0.907 . . . . 0.0 115.116 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 72.2 mm-40 -72.91 166.75 22.41 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.593 1.697 . . . . 0.0 111.882 173.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 41.0 m -131.36 149.12 52.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.909 . . . . 0.0 111.786 169.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -129.15 155.35 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.518 1.927 . . . . 0.0 108.054 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -130.43 149.85 51.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.641 -0.662 . . . . 0.0 112.479 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.92 139.28 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.48 1.112 . . . . 0.0 109.074 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -135.67 50.32 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -124.77 9.91 8.3 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.285 1.034 . . . . 0.0 111.372 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.13 -7.17 1.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -169.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.38 136.9 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 119.275 0.943 . . . . 0.0 111.091 -171.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -129.92 142.53 50.64 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.73 1.212 . . . . 0.0 110.577 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -129.58 117.56 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 124.786 1.234 . . . . 0.0 109.628 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -115.23 131.62 56.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.76 0.824 . . . . 0.0 110.271 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.66 113.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.06 -32.67 50.94 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.749 0.42 . . . . 0.0 110.457 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.39 -173.22 35.48 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.611 0.624 . . . . 0.0 113.029 168.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 m -119.03 159.7 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.417 0.687 . . . . 0.0 111.699 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -149.98 91.28 1.76 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.2 1.0 . . . . 0.0 109.709 169.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.4 -119.32 7.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -170.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -90.06 -14.77 33.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 117.436 0.618 . . . . 0.0 111.954 174.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 144.36 51.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.694 0.759 . . . . 0.0 110.021 175.628 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.16 110.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 126.562 1.945 . . . . 0.0 106.116 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -88.57 123.82 33.43 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.284 1.034 . . . . 0.0 108.779 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -129.4 138.51 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.172 0.589 . . . . 0.0 110.882 -167.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 139.13 14.88 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.704 1.145 . . . . 0.0 111.383 170.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 77.6 mt -131.29 129.89 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.64 1.176 . . . . 0.0 109.351 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.88 99.06 5.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -173.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.93 78.21 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.81 157.53 47.46 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.11 2.54 . . . . 0.0 112.086 171.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.83 -0.99 12.57 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 172.433 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.82 -22.88 66.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.434 1.093 . . . . 0.0 111.712 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -121.08 157.82 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.069 0.947 . . . . 0.0 110.552 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.73 157.32 16.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.973 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.97 126.54 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 122.979 0.511 . . . . 0.0 109.833 168.652 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -148.64 170.41 18.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.02 0.928 . . . . 0.0 109.859 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -71.19 156.4 39.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 168.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -61.82 -23.89 66.53 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.057 0.456 . . . . 0.0 111.069 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.49 -35.52 80.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.757 1.623 . . . . 0.0 111.994 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.69 -32.49 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.286 1.034 . . . . 0.0 109.683 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.9 t80 -54.99 -34.91 63.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.43 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -68.68 -27.14 65.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.425 0.69 . . . . 0.0 112.824 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -68.5 -25.73 65.1 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.009 0.524 . . . . 0.0 109.814 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 88.4 mt -99.02 -29.67 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 124.497 1.119 . . . . 0.0 110.581 -172.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 52' ' ' GLN . . . . . 0.403 ' C ' ' H ' ' E' ' 54' ' ' GLY . 74.7 mm-40 -85.19 3.23 40.2 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.84 4.08 0.13 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 54' ' ' GLY . . . . . 0.403 ' H ' ' C ' ' E' ' 52' ' ' GLN . . . 133.99 -120.78 2.57 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 126.058 1.79 . . . . 0.0 109.802 -169.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 55' ' ' LEU . . . . . 0.442 ' C ' ' CD2' ' E' ' 55' ' ' LEU . 0.0 OUTLIER 36.62 -12.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.271 2 C-N-CA 132.837 4.455 . . . . 0.0 122.961 163.319 . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 5.1 p -59.73 -30.12 68.61 Favored 'General case' 0 C--N 1.337 0.052 0 CA-C-N 121.917 2.144 . . . . 0.0 112.173 -165.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.0 99.23 50.04 Favored Pre-proline 0 N--CA 1.452 -0.367 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -65.48 175.88 3.87 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.523 2.148 . . . . 0.0 113.799 -169.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 124.321 1.048 . . . . 0.0 112.697 178.292 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.734 -0.098 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -95.86 147.97 23.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.969 0.508 . . . . 0.0 111.503 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.54 137.08 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.455 0.702 . . . . 0.0 109.792 171.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.49 161.21 36.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.882 1.273 . . . . 0.0 110.367 -174.686 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.85 99.37 4.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 168.566 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.98 162.06 13.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.59 1.156 . . . . 0.0 109.507 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -121.11 171.98 8.29 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 m -54.52 134.77 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.725 -170.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.21 -2.82 81.8 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.104 0.859 . . . . 0.0 114.326 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -98.9 169.34 9.52 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.702 1.251 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -135.77 160.84 37.3 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -169.241 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 15.7 mt -139.37 154.92 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 126.379 1.872 . . . . 0.0 108.592 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -130.69 148.72 52.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.771 0.828 . . . . 0.0 112.348 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -136.02 144.79 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.635 1.174 . . . . 0.0 108.928 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.88 -132.49 52.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -170.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -128.37 9.99 6.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.487 0.715 . . . . 0.0 111.727 169.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.36 -11.47 1.89 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 113.097 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -105.16 137.52 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.597 0.635 . . . . 0.0 110.272 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -131.59 141.66 49.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.125 0.97 . . . . 0.0 110.387 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -120.55 139.86 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.585 1.554 . . . . 0.0 108.087 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 50.7 m -137.42 124.38 21.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.15 0.58 . . . . 0.0 109.762 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -76.07 116.48 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 170.355 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 mt -85.19 -29.5 24.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.076 0.55 . . . . 0.0 110.908 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.58 -176.02 34.03 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.295 0.474 . . . . 0.0 113.51 170.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.96 157.78 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.03 0 CA-C-N 117.621 0.711 . . . . 0.0 112.586 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -150.07 104.86 3.32 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.534 1.133 . . . . 0.0 109.351 168.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.72 -114.25 5.24 Favored Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.587 -0.696 . . . . 0.0 111.776 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -95.4 -13.16 24.9 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.626 0.713 . . . . 0.0 111.53 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.25 141.3 45.38 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.327 0.584 . . . . 0.0 109.8 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.35 105.71 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 -174.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.94 123.26 31.87 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.359 0.664 . . . . 0.0 109.401 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.91 134.99 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.461 0.704 . . . . 0.0 110.443 -168.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.63 141.71 15.62 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.086 0.85 . . . . 0.0 111.619 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mt -127.08 139.77 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 0.0 109.079 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -134.16 114.67 13.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.613 0.765 . . . . 0.0 109.236 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.71 157.22 75.42 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 123.637 0.775 . . . . 0.0 111.54 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.04 162.04 37.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.09 2.527 . . . . 0.0 112.211 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.93 -4.03 25.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.398 0.679 . . . . 0.0 112.575 172.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.92 -19.65 63.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.687 1.195 . . . . 0.0 112.376 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -126.9 165.42 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.718 0.807 . . . . 0.0 111.214 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.37 161.83 13.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.548 0.739 . . . . 0.0 111.432 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.02 119.84 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.315 0.646 . . . . 0.0 110.528 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.62 173.14 15.01 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.335 1.054 . . . . 0.0 110.063 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -76.9 160.72 28.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.796 -0.565 . . . . 0.0 110.521 169.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.34 -26.23 66.42 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.504 0.722 . . . . 0.0 112.0 -171.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.66 -45.87 88.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.852 1.261 . . . . 0.0 111.78 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -85.26 -29.23 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.798 0.839 . . . . 0.0 110.21 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -54.83 -35.05 63.54 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.952 0.901 . . . . 0.0 112.737 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.06 -26.19 66.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.497 0.719 . . . . 0.0 112.425 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.82 -22.8 61.5 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.704 0.802 . . . . 0.0 110.714 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -96.84 -47.88 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 123.971 0.908 . . . . 0.0 109.837 -170.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -70.64 3.03 3.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.91 -22.19 66.56 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.906 0.883 . . . . 0.0 112.691 169.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.21 23.91 0.03 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 114.577 0.591 . . . . 0.0 114.577 169.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -156.43 -174.59 5.01 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.177 0.989 . . . . 0.0 111.368 -169.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 10.6 m -127.49 -32.22 2.44 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 57' ' ' ALA . . . . . 0.589 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -155.39 -32.63 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.299 0 CA-C-O 117.781 -1.104 . . . . 0.0 113.759 -171.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 58' ' ' PRO . . . . . 0.589 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 31.3 Cg_exo -73.38 176.49 9.17 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 CA-C-N 121.098 1.428 . . . . 0.0 113.798 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.453 -0.296 0 C-N-CA 124.649 1.18 . . . . 0.0 111.835 177.107 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 112.051 3.851 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.647 3.447 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 1 O4'-C1'-N19 112.662 4.462 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 O4'-C1'-N19 112.185 3.985 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.719 3.519 . 0.011 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C5'-C4'-O4' 114.442 3.744 . 0.021 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 1 C5'-C4'-C3' 109.199 -4.201 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 C3'-C2'-C1' 104.487 3.319 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 0 O5'-C5'-C4' 113.802 2.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C3'-C2'-C1' 104.971 3.856 . 0.233 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.375 4.175 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C4'-C3' 108.45 2.107 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 110.584 -3.278 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 100.213 -2.487 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.477 3.277 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 O4'-C1'-N19 111.22 3.02 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C5'-C4'-C3' 112.533 -1.978 . 0.279 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 100.394 -2.306 . 0.069 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 112.144 3.944 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 1 O4'-C1'-N19 112.446 4.246 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C4'-C3'-C2' 99.794 -2.906 . 0.079 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 O4'-C1'-N19 112.689 4.489 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 O4'-C1'-N19 112.126 3.926 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 N19-C1'-C2' 108.536 -3.04 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 O4'-C1'-N19 110.785 2.585 . 0.406 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 27' ' ' ' G' . . . . . 0.514 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C5'-C4'-C3' 111.841 -2.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 28' ' ' ' G' . . . . . 0.451 ' H1 ' HG22 ' B' ' 42' ' ' VAL . . . . . . . . 0 O4'--C4' 1.412 -3.391 0 C5'-C4'-C3' 112.139 -2.24 . 0.082 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C5'-C4'-C3' 111.574 -2.617 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.692 3.492 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C4'-C3'-C2' 100.426 -2.274 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.334 3.134 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.292 4.092 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.127 -3.573 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 C4'-C3'-C2' 99.804 -2.896 . 0.219 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.558 3.358 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 0 C4'-C3'-C2' 100.205 -2.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.539 3.339 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 C3'-C2'-C1' 104.167 2.964 . 0.208 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 O4'-C1'-N19 113.16 4.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 1 C5'-C4'-C3' 109.222 -4.186 . 0.055 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 42' ' ' ' C' . . . . . 0.43 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.327 2 O4'-C1'-N19 113.344 5.144 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' G' G ' 43' ' ' ' A' . . . . . 0.43 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.181 1 O4'-C1'-N19 112.588 4.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 1 O4'-C1'-N19 112.697 4.497 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 O4'-C1'-N19 112.859 4.659 . 0.349 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 C4'-C3'-C2' 99.833 -2.867 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 O4'-C1'-N19 112.128 3.928 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 48' ' ' ' A' . . . . . 0.463 HO2' " C5'" ' G' ' 49' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.319 1 C3'-C2'-C1' 105.12 4.022 . 0.237 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 49' ' ' ' G' . . . . . 0.463 " C5'" HO2' ' G' ' 48' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C4'-C3'-C2' 99.746 -2.954 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C5'-C4'-C3' 110.812 -3.126 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 0 C5'-C4'-C3' 111.33 -2.78 . 0.387 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 52' ' ' ' A' . . . . . 0.433 ' C8 ' ' CE ' ' B' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.413 -3.307 3 C5'-C4'-C3' 108.035 -4.976 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.97 1 P-O3'-C3' 126.878 5.982 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 1 O4'-C1'-N19 112.359 4.159 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 0 C4'-C3'-C2' 99.718 -2.982 . 0.46 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 O4'-C1'-N19 111.144 2.944 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C5'-C4'-C3' 111.058 -2.961 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 O4'-C1'-N19 111.856 3.656 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 111.947 3.747 . 0.4 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 O4'-C1'-N19 111.307 3.107 . 0.205 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 O4'-C1'-N19 111.748 3.548 . 0.323 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 1 O4'-C1'-N19 112.383 4.183 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 63' ' ' ' A' . . . . . 0.456 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.322 1 C3'-C2'-C1' 105.682 4.647 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' G' G ' 64' ' ' ' G' . . . . . 0.456 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 C4'-C3'-C2' 99.996 -2.704 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 O4'-C1'-N19 110.663 2.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 66' ' ' ' A' . . . . . 0.528 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.335 1 C3'-C2'-C1' 105.663 4.625 . 0.302 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 67' ' ' ' C' . . . . . 0.528 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.549 1 O5'-C5'-C4' 120.182 7.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear orig full ' G' G ' 68' ' ' ' G' . . . . . 0.49 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.3 1 P-O3'-C3' 126.33 5.525 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 C5'-C4'-C3' 111.418 -2.721 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.627 4.427 . 0.508 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 C4'-C3'-C2' 99.343 -3.357 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 111.345 -2.77 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.021 -0.514 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.21 115.33 30.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.469 0.708 . . . . 0.0 109.602 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.14 136.07 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.134 0.974 . . . . 0.0 109.456 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -131.91 159.82 37.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.13 0.972 . . . . 0.0 109.89 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -121.61 100.96 7.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.8 132.63 54.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.216 0.606 . . . . 0.0 110.687 -168.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -96.54 156.16 16.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.987 -0.446 . . . . 0.0 110.389 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.475 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.4 t -46.51 127.94 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.53 0.732 . . . . 0.0 111.181 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.57 -4.11 69.09 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.212 0.91 . . . . 0.0 114.356 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -100.12 175.02 5.88 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.492 1.146 . . . . 0.0 111.448 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 m -139.86 150.55 44.77 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -168.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.3 mm -109.75 155.31 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 125.658 1.583 . . . . 0.0 109.502 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -128.1 137.55 52.17 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.318 1.047 . . . . 0.0 110.461 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -131.3 130.98 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.451 1.1 . . . . 0.0 109.372 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.73 -129.06 30.04 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -130.04 3.49 4.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.905 0.882 . . . . 0.0 112.4 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -133.4 -13.7 2.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -168.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.5 mt -110.57 139.37 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.812 0.845 . . . . 0.0 110.39 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -136.07 148.27 48.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.825 0.85 . . . . 0.0 109.155 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -128.56 138.69 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 108.575 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -129.7 129.69 44.54 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.317 0.647 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.66 97.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.91 -31.47 69.28 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -174.567 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.73 -173.94 44.56 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 123.131 0.396 . . . . 0.0 113.106 169.005 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 147.55 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.624 0.77 . . . . 0.0 111.099 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -138.48 64.79 1.48 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.637 1.175 . . . . 0.0 109.696 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.93 -117.82 7.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.87 -1.89 55.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.586 0.754 . . . . 0.0 112.48 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -117.67 160.03 21.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.936 0.874 . . . . 0.0 112.414 169.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.04 134.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.981 1.713 . . . . 0.0 109.506 -166.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -104.38 101.96 11.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.976 0.51 . . . . 0.0 110.188 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -111.85 133.75 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.576 1.15 . . . . 0.0 109.843 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.87 139.68 14.99 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.952 0.787 . . . . 0.0 111.57 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -109.47 132.95 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.115 1.366 . . . . 0.0 108.395 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -119.94 74.97 1.05 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.552 1.141 . . . . 0.0 109.388 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.5 153.57 44.87 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.742 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.13 154.94 47.27 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.747 2.298 . . . . 0.0 110.599 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -68.33 -4.24 13.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.27 -25.41 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.92 0.888 . . . . 0.0 112.136 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.96 143.98 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.805 0.812 . . . . 0.0 111.628 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 143.02 29.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.586 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.75 130.69 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 122.832 0.453 . . . . 0.0 110.172 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -150.83 158.07 43.7 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.891 0.476 . . . . 0.0 111.537 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -62.75 159.12 17.01 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.977 0.911 . . . . 0.0 109.232 168.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.13 -42.42 99.51 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.925 1.239 . . . . 0.0 111.991 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -72.99 -0.22 13.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.522 -0.736 . . . . 0.0 112.975 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.38 -10.29 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 124.423 1.089 . . . . 0.0 111.073 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -80.06 -42.28 24.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.427 -1.421 . . . . 0.0 110.453 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -73.11 -20.66 60.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.874 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -76.47 -33.11 58.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.09 0.556 . . . . 0.0 111.631 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.17 -50.09 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.944 0.898 . . . . 0.0 109.677 171.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.35 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.8 tpp . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.16 118.27 36.27 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 169.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -113.59 138.27 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.283 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -136.55 137.6 40.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.085 1.354 . . . . 0.0 110.241 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m -102.53 102.04 12.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -108.13 129.68 55.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.055 1.742 . . . . 0.0 110.64 -168.29 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -77.97 155.7 30.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.202 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -61.31 133.96 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.489 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.35 -4.47 73.64 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 119.273 -0.737 . . . . 0.0 114.443 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -90.3 170.93 9.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.611 1.206 . . . . 0.0 111.003 172.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.5 m -136.68 164.49 28.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.429 0.691 . . . . 0.0 112.406 -170.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mt -145.63 157.79 12.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 126.482 1.913 . . . . 0.0 108.826 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -135.67 146.65 48.02 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.966 0.906 . . . . 0.0 111.801 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.65 128.77 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.575 1.15 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.46 -134.35 51.72 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.74 5.06 6.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.79 0.836 . . . . 0.0 112.799 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -115.37 -20.0 10.48 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.05 135.07 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.163 0.892 . . . . 0.0 111.403 -169.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -129.3 148.02 51.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.792 1.237 . . . . 0.0 109.603 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -129.68 141.62 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 125.111 1.364 . . . . 0.0 108.509 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -133.87 130.23 37.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.091 0.556 . . . . 0.0 109.933 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -85.37 93.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.44 -33.38 75.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.839 -0.538 . . . . 0.0 110.974 -171.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.18 -178.0 40.95 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.66 150.33 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 169.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -124.86 79.37 1.77 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 -119.23 4.92 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.66 10.26 41.49 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.112 -0.64 . . . . 0.0 111.206 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -98.94 152.52 19.69 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.977 0.911 . . . . 0.0 109.919 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.53 111.86 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -84.05 116.37 22.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.497 1.119 . . . . 0.0 109.526 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.7 129.43 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.125 0.97 . . . . 0.0 109.526 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.42 133.01 11.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 171.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.57 128.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.806 0.812 . . . . 0.0 109.216 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -130.83 74.86 1.62 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.286 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.35 157.39 49.37 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.972 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -59.21 152.15 62.04 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.393 1.396 . . . . 0.0 109.61 168.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.56 -0.69 4.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.68 1.192 . . . . 0.0 112.827 172.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -28.17 68.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.026 1.73 . . . . 0.0 111.58 170.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -106.89 144.14 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.494 1.117 . . . . 0.0 110.174 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.8 141.25 30.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.388 0.613 . . . . 0.0 111.807 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 t -144.96 100.5 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.388 -166.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -146.2 166.48 26.09 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.208 1.003 . . . . 0.0 110.959 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -69.22 158.4 35.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 122.117 -0.364 . . . . 0.0 110.348 168.371 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -54.19 -38.18 65.32 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.167 0.587 . . . . 0.0 112.34 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.52 -46.61 38.77 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.995 0.518 . . . . 0.0 111.208 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.65 -47.6 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 125.374 1.47 . . . . 0.0 110.029 -172.526 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -50.3 -36.47 31.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.122 0.969 . . . . 0.0 111.671 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.74 -23.39 63.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -82.94 -39.48 21.37 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.567 169.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.4 HG22 ' OE1' ' B' ' 52' ' ' GLN . 97.2 mt -63.06 -40.83 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' GLN . . . . . 0.4 ' OE1' HG22 ' B' ' 51' ' ' ILE . 7.8 mm100 -80.2 4.96 15.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 173.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.42 -19.13 50.73 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.025 0.53 . . . . 0.0 111.164 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.69 47.61 0.09 OUTLIER Glycine 0 C--N 1.338 0.653 0 C-N-CA 123.651 0.643 . . . . 0.0 114.102 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.74 -176.97 2.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.885 0.843 . . . . 0.0 112.805 -168.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.9 p -125.37 -177.64 3.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.468 1.507 . . . . 0.0 109.47 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -41.0 119.22 1.69 Allowed Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.084 0.954 . . . . 0.0 111.31 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 31.8 Cg_exo -68.26 177.19 4.74 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.196 1.931 . . . . 0.0 113.929 -169.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.454 -0.26 0 C-N-CA 124.546 1.138 . . . . 0.0 112.858 177.119 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.84 110.46 22.63 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.79 133.68 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.718 0.807 . . . . 0.0 109.657 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.8 140.78 50.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.59 1.156 . . . . 0.0 109.666 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p -100.25 143.96 29.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.83 0.348 . . . . 0.0 110.79 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -134.78 141.32 46.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.393 0.677 . . . . 0.0 110.563 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.502 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.8 tptm -77.29 155.77 31.83 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.75 132.72 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 119.139 0.881 . . . . 0.0 111.295 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.23 -4.25 84.36 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.61 1.1 . . . . 0.0 113.991 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -86.91 173.32 9.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.203 1.501 . . . . 0.0 111.803 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -136.49 159.3 42.19 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -167.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 61.5 mt -136.49 159.04 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 127.887 2.475 . . . . 0.0 107.834 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -132.45 150.3 52.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.836 0.854 . . . . 0.0 111.62 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -133.28 136.68 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.478 1.111 . . . . 0.0 109.138 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -140.81 47.17 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.54 0.59 . . . . 0.0 111.779 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.17 7.35 12.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.686 1.194 . . . . 0.0 111.054 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.51 -13.83 5.36 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -169.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.53 135.51 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.947 0.794 . . . . 0.0 110.901 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -122.67 142.68 50.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.647 1.179 . . . . 0.0 109.612 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -124.23 139.75 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.076 1.351 . . . . 0.0 108.273 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -132.13 130.29 40.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -85.44 112.82 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 168.869 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -83.56 -45.11 13.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 121.722 -0.611 . . . . 0.0 110.01 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.08 -177.91 48.6 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 121.6 -0.333 . . . . 0.0 112.951 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.21 151.45 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 123.205 0.602 . . . . 0.0 110.779 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -140.07 100.23 3.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.415 1.086 . . . . 0.0 108.105 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.97 -124.14 22.89 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -169.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.55 -0.8 51.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.324 1.05 . . . . 0.0 111.939 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -85.06 153.31 22.8 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.289 0.566 . . . . 0.0 110.815 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' C' ' 22' ' ' ILE . 40.5 t -130.32 122.18 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 125.211 1.404 . . . . 0.0 108.186 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -82.23 118.03 22.8 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.815 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.23 130.84 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 125.218 1.407 . . . . 0.0 108.885 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.75 137.04 13.17 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.22 0.914 . . . . 0.0 111.996 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -122.92 121.62 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.622 1.169 . . . . 0.0 108.823 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -118.49 98.66 6.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.266 0.627 . . . . 0.0 110.128 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.26 155.06 80.23 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.254 1.021 . . . . 0.0 110.02 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.42 151.39 83.11 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.664 2.242 . . . . 0.0 111.0 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.24 -0.94 2.84 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.344 0.657 . . . . 0.0 112.615 172.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.9 -23.24 66.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 169.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.02 148.67 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.307 1.043 . . . . 0.0 110.478 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.12 154.3 22.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.298 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.22 132.29 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -153.66 153.83 33.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.334 0.654 . . . . 0.0 110.746 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -74.25 159.03 33.02 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.569 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -61.32 -32.76 72.64 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -168.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.56 -21.58 62.68 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -95.12 -35.75 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.472 0.709 . . . . 0.0 110.696 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.7 -37.04 49.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.219 1.008 . . . . 0.0 112.182 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.94 -28.86 66.66 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.834 0.854 . . . . 0.0 112.723 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -69.36 -38.32 78.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.213 0.605 . . . . 0.0 111.707 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.543 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.1 tpp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -112.04 113.64 26.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.263 1.425 . . . . 0.0 107.962 168.16 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.543 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.0 mp -99.28 133.85 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.768 1.227 . . . . 0.0 109.462 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 mt -123.09 172.14 8.78 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.373 1.469 . . . . 0.0 109.807 172.533 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -134.81 109.92 8.85 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.996 169.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -123.26 149.77 44.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.857 0.863 . . . . 0.0 111.122 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -80.76 161.07 24.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.301 0.572 . . . . 0.0 111.693 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -54.88 138.84 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.561 0.744 . . . . 0.0 111.45 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.54 83.15 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.465 1.031 . . . . 0.0 113.918 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -90.61 174.9 7.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.905 1.353 . . . . 0.0 112.961 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.66 152.32 51.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.028 0.931 . . . . 0.0 112.276 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -142.12 161.43 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.17 1.788 . . . . 0.0 108.553 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -137.59 146.47 44.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 112.035 -171.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 136.26 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.9 1.28 . . . . 0.0 109.176 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.19 -136.63 50.36 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.97 9.94 6.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.958 0.903 . . . . 0.0 112.425 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -125.65 -14.2 6.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.01 135.28 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.991 0.814 . . . . 0.0 110.864 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 58.7 m -125.9 146.85 49.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.298 1.039 . . . . 0.0 110.019 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -124.87 143.47 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.776 1.63 . . . . 0.0 108.127 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -136.96 124.14 21.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.77 105.69 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.51 -32.13 47.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.027 0.531 . . . . 0.0 110.604 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.87 -173.76 41.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 122.152 -0.071 . . . . 0.0 113.174 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -112.75 163.86 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.255 0.622 . . . . 0.0 111.116 169.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -147.21 80.94 1.53 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.427 1.091 . . . . 0.0 108.146 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.18 -115.64 4.71 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -171.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.502 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.7 mp0 -92.48 -13.53 29.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.011 0.924 . . . . 0.0 110.668 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -73.62 147.35 43.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.466 0.651 . . . . 0.0 110.599 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -132.5 116.24 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 -91.98 111.97 23.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.527 1.131 . . . . 0.0 108.804 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.72 125.18 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.507 0.723 . . . . 0.0 109.883 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.86 137.95 14.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 171.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.62 143.94 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.168 0.987 . . . . 0.0 108.492 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.09 105.59 5.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.371 0.669 . . . . 0.0 109.267 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.45 155.71 64.0 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.228 1.011 . . . . 0.0 110.031 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.74 151.95 82.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.701 2.267 . . . . 0.0 111.045 170.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.09 -1.35 7.45 Favored 'General case' 0 C--N 1.337 0.061 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.1 -21.94 66.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.375 1.07 . . . . 0.0 111.251 168.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.19 158.36 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.357 1.063 . . . . 0.0 110.641 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 157.11 16.14 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.304 0.642 . . . . 0.0 112.089 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.5 125.8 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 122.033 -0.417 . . . . 0.0 110.095 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -151.86 166.69 30.66 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.496 0.718 . . . . 0.0 111.841 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -62.67 155.76 25.42 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 167.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.29 -38.74 84.56 Favored 'General case' 0 CA--C 1.528 0.108 0 O-C-N 121.508 -0.745 . . . . 0.0 111.626 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.5 -23.98 67.62 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.943 0.897 . . . . 0.0 112.996 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm -94.77 -41.51 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.781 1.232 . . . . 0.0 110.911 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.42 -35.92 13.75 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.295 1.438 . . . . 0.0 112.097 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.42 -21.83 65.7 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.6 1.16 . . . . 0.0 113.276 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -84.53 -39.04 19.3 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.534 1.134 . . . . 0.0 110.221 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.644 ' N ' HD12 ' D' ' 51' ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.455 -0.219 0 C-N-CA 125.517 1.527 . . . . 0.0 110.51 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 119.894 -0.098 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -139.62 121.73 15.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.817 0.847 . . . . 0.0 109.521 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -105.06 129.8 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.818 0.847 . . . . 0.0 108.863 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.2 165.07 29.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.017 0.927 . . . . 0.0 111.602 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -128.21 123.62 34.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.288 0.635 . . . . 0.0 109.653 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.457 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.6 mmp_? -133.49 138.38 46.11 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.658 1.183 . . . . 0.0 109.98 -173.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -95.6 168.47 10.66 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.82 137.03 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.154 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.83 -4.1 83.28 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.05 0.834 . . . . 0.0 114.314 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -93.97 169.89 9.94 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.831 1.315 . . . . 0.0 111.596 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -133.54 154.88 50.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -168.621 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 12' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' E' ' 6' ' ' ARG . 36.8 mt -141.38 157.84 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 126.313 1.845 . . . . 0.0 108.347 -175.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -140.35 150.14 43.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -137.55 140.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.888 1.275 . . . . 0.0 109.151 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 -138.65 48.1 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -121.81 8.58 9.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.026 0.931 . . . . 0.0 111.797 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -138.38 -7.92 1.51 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.3 135.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 110.904 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.7 m -127.14 143.44 51.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.464 1.106 . . . . 0.0 110.213 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mm -123.18 136.81 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.215 1.406 . . . . 0.0 108.29 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -134.52 125.84 28.16 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.129 0.572 . . . . 0.0 109.828 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -78.65 109.17 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.8 -31.88 59.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.483 0.313 . . . . 0.0 110.479 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -172.53 33.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.111 0.386 . . . . 0.0 113.346 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.64 159.1 24.47 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.776 0.83 . . . . 0.0 112.261 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -146.24 89.96 1.91 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.198 1.399 . . . . 0.0 108.619 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.48 -113.59 5.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -93.7 -17.67 22.96 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.269 0.534 . . . . 0.0 111.786 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -74.63 140.57 44.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.469 0.708 . . . . 0.0 109.761 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.6 112.73 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -88.24 119.51 28.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.94 129.92 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.906 0.882 . . . . 0.0 110.092 -169.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.69 140.68 15.45 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.151 0.881 . . . . 0.0 111.177 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.31 126.03 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.766 1.226 . . . . 0.0 108.742 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.17 98.93 5.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.77 155.03 79.73 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 124.724 1.209 . . . . 0.0 110.445 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.0 158.02 40.93 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 122.821 2.347 . . . . 0.0 112.094 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -72.03 -0.99 13.05 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.495 0.718 . . . . 0.0 112.614 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.96 -23.13 65.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.689 1.196 . . . . 0.0 111.718 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -122.02 157.61 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.77 159.3 15.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.1 128.03 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.886 0.474 . . . . 0.0 110.583 171.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -150.97 174.11 13.51 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.856 1.263 . . . . 0.0 109.365 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 44' ' ' ARG . . . . . 0.496 HH21 HD22 ' F' ' 4' ' ' LEU . 6.3 ptp85 -81.34 166.03 20.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.589 -0.694 . . . . 0.0 110.219 169.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.13 -31.15 68.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.992 0.517 . . . . 0.0 112.341 -170.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.34 -48.65 79.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.338 1.055 . . . . 0.0 111.674 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -81.87 -33.03 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.564 0.745 . . . . 0.0 109.813 -171.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -50.94 -35.4 33.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.482 1.113 . . . . 0.0 112.619 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.52 -22.06 63.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.919 0.887 . . . . 0.0 112.65 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -71.81 -46.88 56.7 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.176 0.59 . . . . 0.0 109.634 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 51' ' ' ILE . . . . . 0.483 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -64.48 -22.96 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 125.415 1.486 . . . . 0.0 110.626 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 169.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 111.093 0.034 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.53 150.13 20.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.779 0.432 . . . . 0.0 111.391 173.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.73 133.09 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 169.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 4' ' ' LEU . . . . . 0.496 HD22 HH21 ' E' ' 44' ' ' ARG . 55.9 mt -128.93 161.07 30.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.003 1.321 . . . . 0.0 110.151 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.06 100.94 6.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.24 0.543 . . . . 0.0 109.807 169.089 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -105.0 138.94 40.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 126.26 1.824 . . . . 0.0 109.347 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -101.99 167.99 9.69 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 120.495 1.498 . . . . 0.0 112.986 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -56.93 137.49 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.844 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.22 -6.85 78.6 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.364 0.983 . . . . 0.0 113.853 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -98.29 173.51 6.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.643 1.222 . . . . 0.0 111.715 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 158.51 43.22 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 33.5 mt -137.54 158.17 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.732 2.013 . . . . 0.0 108.329 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.63 149.0 50.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.47 -0.769 . . . . 0.0 112.555 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.0 mt -136.91 140.4 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.59 1.156 . . . . 0.0 109.19 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -134.92 49.77 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.46 10.01 6.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.244 1.017 . . . . 0.0 112.328 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -131.23 -22.24 2.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.74 136.42 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 119.116 0.871 . . . . 0.0 110.84 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -127.34 142.58 51.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.316 1.046 . . . . 0.0 110.228 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mm -121.47 142.18 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.443 1.497 . . . . 0.0 108.201 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -135.41 127.63 30.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.149 0.58 . . . . 0.0 109.652 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.01 111.84 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.12 -27.7 26.06 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.207 0.603 . . . . 0.0 111.283 -171.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.73 -173.59 34.44 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.242 0.449 . . . . 0.0 113.511 171.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -127.5 153.3 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.651 0.781 . . . . 0.0 111.873 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 72.4 m -139.42 89.92 2.37 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.066 1.346 . . . . 0.0 109.173 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.46 -107.61 2.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.86 -20.35 19.51 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.298 0.549 . . . . 0.0 111.941 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -73.59 142.63 46.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 110.171 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -133.14 114.46 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.15 129.18 35.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.972 0.909 . . . . 0.0 109.476 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.67 143.0 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.057 0.943 . . . . 0.0 110.038 -168.116 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.22 137.88 14.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 173.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -126.63 133.74 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.999 0.92 . . . . 0.0 109.464 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -127.49 105.94 8.85 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.192 0.997 . . . . 0.0 109.29 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 157.87 76.99 Favored Pre-proline 0 N--CA 1.453 -0.283 0 C-N-CA 123.917 0.887 . . . . 0.0 111.203 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.94 160.42 41.4 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.918 2.412 . . . . 0.0 112.211 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.6 -13.94 37.23 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -13.94 61.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.15 1.38 . . . . 0.0 112.496 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 m -127.3 163.76 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.105 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.42 163.2 12.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 111.468 172.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.99 126.31 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.5 0.72 . . . . 0.0 110.094 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -153.42 176.57 11.86 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.042 0.937 . . . . 0.0 110.505 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.46 163.57 25.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.859 -0.526 . . . . 0.0 109.77 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.59 -29.72 69.37 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.15 -47.7 77.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.705 0.802 . . . . 0.0 111.43 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -87.61 -30.04 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.615 0.766 . . . . 0.0 110.309 -170.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -50.28 -36.83 33.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.474 1.11 . . . . 0.0 112.864 175.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -60.46 -22.01 62.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.893 0.877 . . . . 0.0 112.405 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.96 -22.83 52.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.546 0.739 . . . . 0.0 110.783 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.493 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.6 mp . . . . . 0 N--CA 1.454 -0.268 0 C-N-CA 124.815 1.246 . . . . 0.0 109.956 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 116.11 28.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.536 0.734 . . . . 0.0 109.78 -177.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -100.15 138.87 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.692 0.797 . . . . 0.0 110.45 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt -136.4 163.23 30.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.58 1.152 . . . . 0.0 109.287 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -126.8 100.92 6.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -106.14 135.5 47.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.064 0.546 . . . . 0.0 110.661 -174.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -92.57 156.56 17.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 25' ' ' VAL . 33.1 m -62.47 135.08 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.567 -170.468 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.03 -1.18 67.48 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.326 0.965 . . . . 0.0 114.363 -172.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -96.79 171.35 8.57 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.971 1.386 . . . . 0.0 111.833 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 159.69 41.64 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.3 mm -131.52 156.17 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 126.878 2.071 . . . . 0.0 108.153 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -128.95 143.97 51.04 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.826 1.251 . . . . 0.0 109.807 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.0 132.81 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.787 0.835 . . . . 0.0 109.313 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 -129.79 40.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.94 4.94 4.94 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 172.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -135.4 -7.56 2.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -118.24 139.82 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.165 0.986 . . . . 0.0 110.398 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.1 m -138.88 145.62 40.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.957 0.903 . . . . 0.0 109.595 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -126.61 143.6 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.09 1.356 . . . . 0.0 108.352 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -138.92 133.12 31.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.392 0.677 . . . . 0.0 109.95 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.04 109.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 171.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.96 -31.76 45.12 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.051 -0.405 . . . . 0.0 110.114 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.6 -176.97 34.61 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 165.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 8' ' ' VAL . 23.8 m -87.56 155.94 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.953 0.901 . . . . 0.0 112.037 -171.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -143.31 60.89 1.4 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.82 1.248 . . . . 0.0 110.0 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.59 -121.94 18.8 Favored Glycine 0 CA--C 1.526 0.78 0 O-C-N 121.606 -0.683 . . . . 0.0 111.417 -173.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -77.56 -4.57 46.44 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.535 0.734 . . . . 0.0 111.98 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -98.86 160.97 13.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.986 0.898 . . . . 0.0 111.354 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.94 129.61 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 125.553 1.541 . . . . 0.0 108.024 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HG2' HG23 ' B' ' 5' ' ' THR . 42.6 mtm-85 -104.33 101.95 11.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.98 0.512 . . . . 0.0 110.031 -175.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.1 mt -106.75 135.71 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.402 1.481 . . . . 0.0 109.455 -173.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.52 141.19 16.01 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.108 0.861 . . . . 0.0 111.444 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.37 137.33 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.521 1.528 . . . . 0.0 108.15 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -128.52 74.88 1.59 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.597 1.159 . . . . 0.0 109.144 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.42 154.78 47.66 Favored Pre-proline 0 N--CA 1.453 -0.282 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.993 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 157.46 45.22 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.701 2.268 . . . . 0.0 110.461 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -69.46 -1.06 7.51 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.88 -30.02 70.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.071 0.948 . . . . 0.0 111.22 168.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -120.43 144.08 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.819 0.848 . . . . 0.0 111.206 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.57 142.95 27.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.513 0.725 . . . . 0.0 110.745 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.61 124.37 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 122.972 0.509 . . . . 0.0 110.246 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -153.8 161.09 42.36 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 109.785 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -86.05 166.51 15.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.006 -0.434 . . . . 0.0 111.983 171.684 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -68.72 -26.44 65.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.024 0.53 . . . . 0.0 112.191 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.96 -22.27 62.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.632 1.173 . . . . 0.0 112.548 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.7 -25.69 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.421 1.088 . . . . 0.0 111.235 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.78 -31.12 72.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.425 -0.797 . . . . 0.0 110.538 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.94 -11.43 60.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.894 0.878 . . . . 0.0 112.142 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.08 -30.63 25.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.688 1.195 . . . . 0.0 110.972 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.4 HD13 HG21 ' A' ' 51' ' ' ILE . 60.2 mt -69.54 -49.81 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.876 0.871 . . . . 0.0 109.197 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 124.862 1.265 . . . . 0.0 112.129 -178.033 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.4 tpp . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 119.727 -0.178 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.61 123.48 49.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.01 1.324 . . . . 0.0 107.508 168.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.03 142.2 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -165.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -138.22 142.07 39.97 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.212 1.405 . . . . 0.0 110.946 -176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 31' ' ' ARG . 90.5 m -122.14 101.97 7.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -128.21 162.3 27.3 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.196 0.998 . . . . 0.0 110.572 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -94.87 168.72 10.62 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.225 0.536 . . . . 0.0 112.443 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -62.41 137.98 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.289 0.566 . . . . 0.0 110.997 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.27 -2.02 83.0 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.098 -0.835 . . . . 0.0 114.294 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.56 159.85 22.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.01 1.405 . . . . 0.0 112.096 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -127.87 148.63 50.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 111.132 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 25.8 mt -138.98 158.63 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.144 1.377 . . . . 0.0 109.422 -173.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -137.83 145.95 42.89 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.138 -170.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -136.2 131.23 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.41 1.084 . . . . 0.0 109.583 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.94 -134.99 52.2 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -126.71 5.04 6.71 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.571 0.749 . . . . 0.0 112.278 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -118.57 -11.97 9.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.897 0.879 . . . . 0.0 112.874 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.55 135.7 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 119.0 0.818 . . . . 0.0 111.236 -172.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -130.47 148.69 52.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.912 1.285 . . . . 0.0 109.556 171.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -127.56 147.22 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 126.203 1.801 . . . . 0.0 108.225 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -141.23 131.01 24.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.815 0.446 . . . . 0.0 109.841 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -85.09 104.85 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 170.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -73.29 -32.49 64.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.983 -0.448 . . . . 0.0 111.009 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.78 176.12 31.5 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 146.13 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.9 t -123.05 65.85 0.98 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.599 1.56 . . . . 0.0 107.531 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.61 -119.71 5.18 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.78 -171.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -93.62 6.79 47.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.214 0.605 . . . . 0.0 111.095 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.92 159.13 15.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.228 1.011 . . . . 0.0 109.269 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.1 t -140.05 116.56 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.825 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.91 116.89 23.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.532 1.133 . . . . 0.0 109.724 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.97 133.46 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.463 1.105 . . . . 0.0 109.694 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.99 141.54 15.49 Favored Glycine 0 C--N 1.334 0.466 0 C-N-CA 123.651 0.644 . . . . 0.0 111.895 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.5 mt -126.28 133.24 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.163 0.985 . . . . 0.0 108.965 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -132.84 80.94 1.92 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.544 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.12 74.67 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.78 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -59.39 158.88 25.13 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.054 1.836 . . . . 0.0 111.704 169.704 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -72.81 -0.73 14.18 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.697 0.799 . . . . 0.0 112.332 169.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.0 -17.7 64.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.362 1.465 . . . . 0.0 111.9 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -122.34 144.21 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.638 1.175 . . . . 0.0 110.481 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.36 142.98 27.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.381 0.61 . . . . 0.0 111.927 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -144.92 98.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.852 -166.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.65 165.37 30.65 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.879 0.872 . . . . 0.0 111.705 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 28.5 ptt-85 -68.48 157.02 36.79 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.085 0.554 . . . . 0.0 111.821 170.052 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.35 -44.01 68.19 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.607 0.763 . . . . 0.0 112.644 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.92 -6.31 26.64 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -102.38 -49.48 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.662 1.185 . . . . 0.0 110.173 171.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -51.02 -36.98 42.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 112.007 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.86 -20.86 63.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -81.33 -37.84 27.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 119.056 0.844 . . . . 0.0 110.681 169.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.8 -39.48 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -79.2 5.01 13.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -83.99 -8.87 59.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.421 0.688 . . . . 0.0 112.798 170.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.93 41.07 0.25 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.464 -0.631 . . . . 0.0 114.448 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -167.02 -172.99 2.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.968 0.884 . . . . 0.0 113.167 -167.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.8 m -130.34 170.95 13.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.574 1.55 . . . . 0.0 108.47 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.98 119.7 0.69 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 125.215 1.406 . . . . 0.0 111.709 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -65.67 178.78 2.02 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.479 2.119 . . . . 0.0 113.965 -169.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 123.751 0.82 . . . . 0.0 112.544 175.208 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpp . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.36 104.23 13.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 120.253 1.388 . . . . 0.0 108.586 174.613 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.5 136.77 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.011 0.924 . . . . 0.0 110.023 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -134.37 134.99 42.35 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.848 1.259 . . . . 0.0 109.912 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -88.69 136.31 33.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.171 -0.331 . . . . 0.0 110.342 169.653 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.453 ' HA ' ' HE ' ' C' ' 6' ' ' ARG . 2.7 mmp_? -133.09 137.59 46.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.329 0.652 . . . . 0.0 110.535 169.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -95.31 151.84 18.9 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.063 0.945 . . . . 0.0 108.582 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -54.91 135.1 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 119.136 0.88 . . . . 0.0 113.31 -168.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.76 -5.37 83.56 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.275 1.416 . . . . 0.0 114.082 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -85.09 169.61 13.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.312 1.556 . . . . 0.0 112.17 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -136.07 161.27 36.17 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -169.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mt -138.14 153.12 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 C-N-CA 126.422 1.889 . . . . 0.0 109.43 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -119.39 144.56 46.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.619 1.167 . . . . 0.0 111.881 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.3 mm -132.37 135.79 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.886 1.274 . . . . 0.0 108.859 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.23 -133.23 45.83 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -169.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -128.44 10.03 6.14 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.723 0.809 . . . . 0.0 111.417 169.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.39 -5.64 4.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.502 1.121 . . . . 0.0 112.602 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.61 144.56 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.772 0.829 . . . . 0.0 110.653 -173.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -136.71 149.69 48.03 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.459 1.103 . . . . 0.0 110.037 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -129.4 145.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.775 1.63 . . . . 0.0 108.503 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.5 m -137.66 132.47 33.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.165 0.439 . . . . 0.0 111.236 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.73 109.47 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 167.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.57 -34.64 23.17 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.925 -0.484 . . . . 0.0 109.742 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.02 -173.02 43.5 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 116.908 -0.133 . . . . 0.0 113.006 169.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.59 153.98 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.279 0.632 . . . . 0.0 110.665 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -142.11 93.26 2.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.472 1.109 . . . . 0.0 108.507 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -123.79 14.19 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -168.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.76 -3.41 52.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.998 0.919 . . . . 0.0 112.006 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -82.58 156.29 24.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.497 0.719 . . . . 0.0 110.851 174.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -134.41 117.18 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -78.04 114.35 16.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt -116.13 126.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.735 1.214 . . . . 0.0 109.496 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.73 142.76 18.0 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 125.189 1.376 . . . . 0.0 111.517 170.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 1' ' ' MET . 62.5 mt -130.07 133.84 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -135.9 91.64 2.72 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.949 0.5 . . . . 0.0 109.898 -173.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 154.3 81.76 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 109.995 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.98 151.6 83.77 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.609 2.206 . . . . 0.0 110.903 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -67.26 -0.99 3.92 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.453 0.701 . . . . 0.0 112.359 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -21.65 66.46 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.751 1.221 . . . . 0.0 111.314 168.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 m -127.35 154.82 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.505 1.122 . . . . 0.0 110.817 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.27 153.4 20.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.65 0.38 . . . . 0.0 111.881 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.34 131.32 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.379 0.672 . . . . 0.0 109.649 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -152.4 167.4 28.85 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.586 0.754 . . . . 0.0 110.925 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' D' ' 12' ' ' ILE . 30.3 ptt-85 -87.5 162.86 17.0 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 167.277 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.53 -35.53 76.23 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.074 0.55 . . . . 0.0 111.73 -169.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.26 -14.99 61.0 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.02 -35.01 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.876 0.871 . . . . 0.0 110.868 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.23 -33.78 54.32 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.797 1.239 . . . . 0.0 112.235 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -60.96 -26.14 67.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.674 0.789 . . . . 0.0 112.571 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.86 -37.03 75.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.76 . . . . 0.0 111.799 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.439 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.3 mp . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 52.9 mmm . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.07 110.62 9.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 107.103 166.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.0 141.38 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.946 1.298 . . . . 0.0 109.91 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -139.64 167.16 22.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.833 1.253 . . . . 0.0 111.804 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.34 117.21 29.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.127 0.971 . . . . 0.0 109.302 165.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.2 OUTLIER -114.92 140.44 49.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.325 0.65 . . . . 0.0 110.279 167.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -80.48 164.09 23.27 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 168.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.566 HG11 HG12 ' D' ' 25' ' ' VAL . 19.2 m -49.96 137.59 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.31 168.115 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.7 0.76 85.86 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 119.132 -0.816 . . . . 0.0 114.342 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.77 173.13 6.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.65 1.225 . . . . 0.0 112.024 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -137.01 156.03 48.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' C' ' 44' ' ' ARG . 41.4 mm -137.08 156.3 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 127.681 2.392 . . . . 0.0 108.676 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -134.33 147.31 50.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.302 1.041 . . . . 0.0 111.839 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -135.06 138.59 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.515 1.126 . . . . 0.0 109.061 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.31 -134.49 52.3 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -130.05 9.98 5.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.029 0.932 . . . . 0.0 112.612 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -131.19 -6.64 3.85 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.29 136.74 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 119.036 0.835 . . . . 0.0 110.631 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -134.89 148.04 50.0 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.809 1.243 . . . . 0.0 109.668 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -130.43 141.02 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.528 1.531 . . . . 0.0 107.876 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -137.15 124.84 22.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.166 0.586 . . . . 0.0 109.608 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.4 111.32 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 57.1 mt -82.18 -29.88 31.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.474 0.709 . . . . 0.0 110.771 -171.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -178.77 41.67 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-O 120.986 0.215 . . . . 0.0 112.867 168.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.566 HG12 HG11 ' D' ' 8' ' ' VAL . 7.4 p -124.04 135.12 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.509 1.124 . . . . 0.0 109.827 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 54.6 m -132.6 71.07 1.46 Allowed 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.955 1.302 . . . . 0.0 109.956 -169.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.57 -117.51 4.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.35 -19.41 31.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.457 1.103 . . . . 0.0 110.551 172.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -77.38 150.3 35.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.665 0.786 . . . . 0.0 111.168 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -133.22 121.11 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -95.98 109.83 22.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.653 0.781 . . . . 0.0 109.01 -175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -116.07 128.53 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.626 0.771 . . . . 0.0 110.057 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.32 138.5 14.14 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.22 0.914 . . . . 0.0 111.012 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 141.7 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -138.03 103.46 4.97 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.433 0.693 . . . . 0.0 109.615 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.72 156.91 75.87 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.111 0.964 . . . . 0.0 109.617 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.72 152.87 78.54 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.268 1.979 . . . . 0.0 110.726 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.56 -0.95 9.58 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.14 -19.05 64.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.785 1.234 . . . . 0.0 111.485 168.623 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.1 160.02 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.664 1.185 . . . . 0.0 110.218 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.26 157.04 17.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.85 125.87 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.107 0.563 . . . . 0.0 110.126 170.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -147.01 159.92 43.0 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.592 0.757 . . . . 0.0 110.482 171.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -69.32 160.53 31.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.974 -0.454 . . . . 0.0 110.592 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.14 -32.7 71.27 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.749 0.704 . . . . 0.0 112.736 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -77.76 -26.32 49.76 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.434 -0.791 . . . . 0.0 112.917 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 mm -82.52 -39.17 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.474 0.709 . . . . 0.0 110.205 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.33 -37.96 68.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.36 1.464 . . . . 0.0 111.767 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.24 -20.9 60.88 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.054 0.942 . . . . 0.0 112.879 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.24 -36.16 35.06 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.058 0.845 . . . . 0.0 111.349 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.482 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.456 -0.134 0 CA-C-N 118.81 0.732 . . . . 0.0 110.304 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -128.74 127.0 41.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.458 1.026 . . . . 0.0 110.757 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.83 142.17 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.619 1.168 . . . . 0.0 109.921 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.43 164.3 28.48 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.702 1.601 . . . . 0.0 110.735 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -138.0 97.23 3.36 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.012 0.525 . . . . 0.0 109.706 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.39 142.59 44.74 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.805 1.242 . . . . 0.0 111.635 -171.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -80.92 166.8 20.54 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.583 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.14 141.72 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 O-C-N 122.052 -0.405 . . . . 0.0 111.574 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 0.01 88.86 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 123.673 0.654 . . . . 0.0 113.764 -175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.89 173.87 8.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.561 1.18 . . . . 0.0 111.92 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -139.99 159.75 41.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.485 0.714 . . . . 0.0 112.014 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -151.25 154.39 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 126.756 2.022 . . . . 0.0 108.469 -168.27 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.97 149.77 49.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.6 mt -137.17 139.29 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.78 1.232 . . . . 0.0 109.179 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.53 -137.13 50.11 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -129.48 10.08 5.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.104 0.962 . . . . 0.0 112.144 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -131.14 -5.05 3.88 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.03 135.89 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 119.375 0.989 . . . . 0.0 110.823 -174.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 44.3 m -129.48 144.41 51.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.439 1.095 . . . . 0.0 110.078 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -126.89 138.18 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.025 1.33 . . . . 0.0 108.678 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -132.5 134.11 44.61 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.453 0.701 . . . . 0.0 110.037 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -89.11 108.83 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.02 -29.26 58.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 110.96 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -170.33 33.34 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.736 0.684 . . . . 0.0 112.902 170.036 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.06 158.84 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.491 0.646 . . . . 0.0 112.212 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.5 p -149.13 97.03 2.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.802 1.241 . . . . 0.0 109.22 169.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.41 -122.32 17.66 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -89.07 -17.2 29.79 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.18 0.49 . . . . 0.0 112.02 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.88 141.76 51.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.61 0.764 . . . . 0.0 109.177 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -134.16 115.46 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -85.44 122.57 29.77 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.69 135.49 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.733 0.813 . . . . 0.0 110.288 -168.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.53 143.28 15.65 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.449 1.023 . . . . 0.0 111.607 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.96 136.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.064 1.346 . . . . 0.0 109.077 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -136.9 99.01 3.91 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.779 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.31 155.28 78.84 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.657 1.183 . . . . 0.0 110.52 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.6 158.47 36.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.86 2.373 . . . . 0.0 112.057 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -73.21 -0.96 15.84 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.378 0.671 . . . . 0.0 112.744 173.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.62 -17.94 64.21 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.097 1.359 . . . . 0.0 112.34 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.55 162.45 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.066 0.947 . . . . 0.0 110.862 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.87 156.39 16.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -155.05 125.58 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.308 0.643 . . . . 0.0 110.466 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -150.35 168.16 24.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.227 1.011 . . . . 0.0 110.048 174.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 44' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 26.9 ptt85 -78.81 165.25 23.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.732 -0.605 . . . . 0.0 110.364 170.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.16 -25.47 65.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.933 0.493 . . . . 0.0 112.056 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -65.89 -45.1 83.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.038 0.935 . . . . 0.0 112.343 175.241 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -85.29 -30.34 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.3 0.64 . . . . 0.0 110.336 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.36 -32.52 57.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.128 0.971 . . . . 0.0 112.374 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.88 -23.86 61.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.422 0.689 . . . . 0.0 112.699 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -72.2 -22.97 61.19 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 123.272 0.629 . . . . 0.0 110.84 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -96.09 -46.49 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 124.006 0.922 . . . . 0.0 109.66 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 174.583 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.74 149.09 24.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.885 0.474 . . . . 0.0 111.67 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.27 139.61 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.919 0.888 . . . . 0.0 109.048 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.4 164.78 27.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.786 1.235 . . . . 0.0 110.115 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.76 97.44 4.83 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 169.027 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.02 137.93 42.02 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.788 1.635 . . . . 0.0 109.677 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -102.55 167.38 9.96 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 120.176 1.353 . . . . 0.0 113.645 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -55.98 135.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.526 -171.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -0.58 78.35 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.135 0.874 . . . . 0.0 114.141 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -98.91 170.52 8.68 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.524 1.162 . . . . 0.0 111.246 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -136.06 158.22 44.93 Favored 'General case' 0 C--N 1.338 0.077 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -169.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 66.0 mt -138.03 158.06 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 126.421 1.888 . . . . 0.0 108.587 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -131.54 147.48 52.54 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.109 0.964 . . . . 0.0 111.967 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -135.81 140.61 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.358 1.063 . . . . 0.0 109.059 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 -135.74 51.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.74 10.0 5.51 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.965 0.906 . . . . 0.0 112.341 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -130.85 -12.6 3.72 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.02 136.22 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.064 0.847 . . . . 0.0 110.743 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 56.7 m -129.72 144.37 51.26 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.58 1.152 . . . . 0.0 110.145 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -124.74 141.97 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.688 1.595 . . . . 0.0 108.394 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -139.08 132.63 30.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.034 0.534 . . . . 0.0 110.192 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 22' ' ' ILE . . . . . 0.404 HG22 ' H ' ' F' ' 22' ' ' ILE . 2.0 tp -87.27 109.42 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -81.13 -28.5 35.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.432 0.693 . . . . 0.0 111.429 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.43 -172.69 35.43 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.594 0.616 . . . . 0.0 112.727 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.85 153.06 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.118 0.567 . . . . 0.0 111.41 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -140.46 89.89 2.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.66 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.53 -126.46 30.28 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -171.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -79.02 -17.94 54.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 173.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.74 146.42 44.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.518 0.675 . . . . 0.0 110.758 173.659 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.09 120.58 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -90.44 125.44 35.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.99 0.916 . . . . 0.0 108.87 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.48 144.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.609 0.764 . . . . 0.0 110.522 -167.276 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.55 141.17 14.39 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.357 0.979 . . . . 0.0 111.352 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.7 137.71 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.695 1.198 . . . . 0.0 109.65 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.4 108.35 10.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.745 1.218 . . . . 0.0 109.118 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.33 158.84 74.72 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.878 0.871 . . . . 0.0 111.303 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 160.87 32.74 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 122.68 2.253 . . . . 0.0 112.13 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.4 -12.7 45.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -72.44 -12.74 61.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.175 1.39 . . . . 0.0 112.529 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m -130.4 167.33 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 124.117 0.967 . . . . 0.0 111.033 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.78 162.91 13.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.892 0.877 . . . . 0.0 111.262 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.13 126.32 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.337 0.655 . . . . 0.0 110.623 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -153.15 173.26 15.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.269 1.028 . . . . 0.0 109.993 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -71.65 157.3 38.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 167.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.45 -16.38 62.33 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.16 -47.29 85.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.698 0.799 . . . . 0.0 111.457 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -82.48 -28.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.898 0.479 . . . . 0.0 110.222 -173.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.46 -33.26 65.74 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.61 0.764 . . . . 0.0 112.441 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.33 -23.17 61.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.262 0.625 . . . . 0.0 112.514 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.81 -22.93 58.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.307 0.643 . . . . 0.0 110.974 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.453 -0.324 0 C-N-CA 123.909 0.884 . . . . 0.0 110.334 -169.289 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.63 114.15 25.78 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.442 0.697 . . . . 0.0 109.813 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.14 136.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.527 0.731 . . . . 0.0 109.261 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.4 mt -132.04 159.35 39.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.137 0.975 . . . . 0.0 109.57 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.4 m -120.1 100.89 7.47 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.83 133.78 54.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.387 0.675 . . . . 0.0 110.736 -168.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -98.01 155.69 16.99 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -48.4 126.64 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.53 0.732 . . . . 0.0 110.815 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.96 -1.86 74.98 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.563 1.078 . . . . 0.0 114.232 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -98.33 168.97 9.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.75 1.275 . . . . 0.0 111.328 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -134.12 151.44 51.37 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -168.318 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.7 mm -112.74 156.7 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 126.092 1.757 . . . . 0.0 109.772 170.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -129.86 141.28 50.84 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.501 1.121 . . . . 0.0 110.579 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -135.27 131.11 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.384 1.074 . . . . 0.0 109.582 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.08 -128.28 25.4 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -128.75 1.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.986 0.914 . . . . 0.0 111.852 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -147.14 -3.56 0.57 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.61 135.31 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 119.351 0.978 . . . . 0.0 110.589 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -130.76 145.31 51.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.903 0.881 . . . . 0.0 109.629 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -126.89 144.25 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.896 1.278 . . . . 0.0 108.448 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.3 m -137.26 134.57 36.31 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.568 0.622 . . . . 0.0 110.638 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.97 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.06 -28.96 67.0 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.95 -0.469 . . . . 0.0 110.145 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.39 -167.93 40.2 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 117.753 0.251 . . . . 0.0 113.094 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 155.0 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.764 0.826 . . . . 0.0 111.235 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . 58.7 m -130.45 60.97 1.61 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 110.29 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 -124.0 6.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -171.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -76.4 4.11 9.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.731 0.812 . . . . 0.0 111.659 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 83.4 mt-30 -98.91 163.38 12.62 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.214 1.006 . . . . 0.0 112.391 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.76 129.45 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.91 1.684 . . . . 0.0 108.556 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HG2' HG23 ' B' ' 5' ' ' THR . 47.6 mtm-85 -111.14 101.93 10.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.112 0.965 . . . . 0.0 110.188 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.96 128.38 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.402 1.481 . . . . 0.0 109.459 -172.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.62 140.72 15.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 169.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -115.09 134.14 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.343 1.457 . . . . 0.0 108.32 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -124.85 74.89 1.38 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.384 1.074 . . . . 0.0 108.953 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.15 154.67 41.93 Favored Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 125.235 1.414 . . . . 0.0 110.625 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.08 157.01 47.04 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.716 2.277 . . . . 0.0 110.535 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -70.2 -1.8 11.28 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.35 -22.62 61.88 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.967 0.907 . . . . 0.0 111.881 169.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.5 144.09 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.885 0.85 . . . . 0.0 111.67 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 142.89 27.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.837 0.855 . . . . 0.0 110.762 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -133.78 127.59 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.974 0.509 . . . . 0.0 110.521 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -153.47 166.45 32.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.022 0.929 . . . . 0.0 110.061 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -97.47 163.55 12.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 170.422 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.16 -32.46 71.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.083 0.953 . . . . 0.0 112.287 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.71 -13.91 60.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.161 0.984 . . . . 0.0 112.734 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.77 -26.99 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.977 1.311 . . . . 0.0 111.215 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.0 -30.95 71.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.282 -0.886 . . . . 0.0 110.582 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.06 -16.71 61.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.915 0.886 . . . . 0.0 111.898 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -78.55 -30.17 46.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.198 0.999 . . . . 0.0 111.255 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -71.92 -53.05 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.976 0.911 . . . . 0.0 109.404 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 123.917 0.887 . . . . 0.0 111.652 -175.92 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 119.498 -0.287 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.34 121.65 43.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 168.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.4 mt -117.11 141.11 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -165.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -135.16 137.86 43.13 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.866 1.266 . . . . 0.0 110.941 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.557 HG23 ' HG2' ' A' ' 31' ' ' ARG . 95.8 m -119.62 106.53 12.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 108.963 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -123.8 173.05 8.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.626 1.57 . . . . 0.0 109.421 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 21.6 pttm -110.35 171.64 7.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.526 0.603 . . . . 0.0 112.59 175.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -63.01 136.5 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 121.248 0.547 . . . . 0.0 110.959 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.45 78.47 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.252 -0.749 . . . . 0.0 114.173 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.39 162.64 14.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.648 1.224 . . . . 0.0 111.912 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -130.43 152.76 49.48 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.455 0.702 . . . . 0.0 112.789 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.0 mt -141.02 157.21 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.866 1.666 . . . . 0.0 109.919 -173.522 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.92 145.24 41.84 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.61 0.764 . . . . 0.0 112.307 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 128.63 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.47 1.108 . . . . 0.0 109.618 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.07 52.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -126.53 4.35 6.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.495 0.718 . . . . 0.0 112.311 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -115.68 -14.08 11.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.866 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.09 135.58 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.141 0.882 . . . . 0.0 111.272 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.1 m -130.81 147.15 52.43 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.914 1.286 . . . . 0.0 109.739 171.235 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -127.2 143.23 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.731 1.612 . . . . 0.0 108.4 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -138.47 130.75 28.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.752 0.421 . . . . 0.0 109.905 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.65 106.12 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.11 -31.63 58.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.169 -0.332 . . . . 0.0 110.811 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.62 178.88 35.92 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.6 155.12 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -132.14 74.68 1.6 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.651 1.18 . . . . 0.0 108.52 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.74 -120.48 6.03 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.96 6.33 48.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.349 0.66 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -98.84 154.33 18.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.938 0.895 . . . . 0.0 109.759 170.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 t -139.23 115.12 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -170.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.36 115.2 21.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.492 1.117 . . . . 0.0 109.912 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.03 130.22 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.508 1.123 . . . . 0.0 109.581 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.9 139.28 14.48 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.6 mt -124.84 131.41 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.864 0.866 . . . . 0.0 108.908 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -131.05 82.5 2.05 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.454 -168.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.35 157.3 76.64 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.841 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.411 ' O ' HG22 ' B' ' 40' ' ' VAL . 35.7 Cg_endo -60.47 157.14 37.74 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.682 1.588 . . . . 0.0 110.168 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.54 -0.78 18.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 122.164 0.983 . . . . 0.0 111.895 173.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.83 -16.84 64.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.928 1.691 . . . . 0.0 111.414 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 37' ' ' PRO . 15.3 m -120.28 144.12 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.807 1.243 . . . . 0.0 109.644 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.64 27.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.406 0.622 . . . . 0.0 111.53 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 t -143.75 97.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.557 -166.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.82 165.5 28.69 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.213 1.005 . . . . 0.0 111.164 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 34.3 ptt-85 -70.39 160.62 31.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.387 0.275 . . . . 0.0 111.529 169.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -58.5 -40.13 81.99 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.851 -0.531 . . . . 0.0 112.331 -173.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.1 0.66 5.74 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -109.03 -50.69 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.426 1.09 . . . . 0.0 109.74 170.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -50.69 -37.25 40.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.009 1.324 . . . . 0.0 112.278 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.55 -19.61 63.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -175.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -82.68 -38.59 23.19 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.704 0.684 . . . . 0.0 110.842 169.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' B' ' 55' ' ' LEU . 97.8 mt -66.07 -38.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.302 0.641 . . . . 0.0 109.371 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.07 5.11 12.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -88.8 -9.37 52.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.59 41.29 0.17 Allowed Glycine 0 C--N 1.339 0.712 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.823 169.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -168.74 -175.09 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.078 0.939 . . . . 0.0 112.993 -168.28 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' THR . . . . . 0.439 HG22 ' H ' ' B' ' 57' ' ' ALA . 10.5 m -126.53 173.38 9.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.418 1.487 . . . . 0.0 108.318 167.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.439 ' H ' HG22 ' B' ' 56' ' ' THR . . . -35.86 124.39 0.67 Allowed Pre-proline 0 N--CA 1.454 -0.247 0 C-N-CA 124.761 1.224 . . . . 0.0 111.835 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -61.08 -178.76 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.693 2.929 . . . . 0.0 113.565 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 123.861 0.864 . . . . 0.0 112.909 -179.048 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.62 106.28 13.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 167.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.39 137.13 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 124.283 1.033 . . . . 0.0 109.743 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -133.11 140.06 47.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.613 1.165 . . . . 0.0 110.226 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -101.02 143.31 31.31 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -139.14 140.8 38.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.439 0.696 . . . . 0.0 110.271 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -76.13 157.24 33.03 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 168.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.2 134.68 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 O-C-N 121.375 -0.828 . . . . 0.0 111.538 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.5 -1.47 87.27 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.639 1.114 . . . . 0.0 113.854 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -86.26 173.17 9.93 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.211 1.506 . . . . 0.0 111.774 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -135.15 157.24 47.43 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -166.628 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -138.38 157.17 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 127.391 2.277 . . . . 0.0 109.074 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -130.92 146.65 52.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 125.209 1.404 . . . . 0.0 111.41 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -135.17 132.7 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.111 0.964 . . . . 0.0 109.814 174.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -134.44 51.32 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -130.07 10.12 5.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.006 0.922 . . . . 0.0 111.843 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -123.9 -9.9 7.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.432 1.093 . . . . 0.0 113.064 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.39 138.0 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.909 0.777 . . . . 0.0 110.909 -172.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 14.7 m -132.84 147.0 52.3 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.269 1.027 . . . . 0.0 109.656 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -129.22 140.74 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.094 1.358 . . . . 0.0 108.857 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -133.69 132.43 40.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.939 0.496 . . . . 0.0 110.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.404 HD11 HG13 ' C' ' 30' ' ' VAL . 0.1 OUTLIER -92.69 112.51 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 169.321 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mt -84.67 -43.8 14.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.683 -0.636 . . . . 0.0 110.321 -170.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.05 -177.63 47.72 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.443 -0.408 . . . . 0.0 113.242 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.96 150.58 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 123.159 0.583 . . . . 0.0 111.079 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -140.53 106.64 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.83 1.252 . . . . 0.0 108.078 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -119.89 15.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -169.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -97.87 -7.29 30.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.789 0.835 . . . . 0.0 113.004 171.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -74.57 151.76 39.38 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.695 0.759 . . . . 0.0 110.926 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.404 HG13 HD11 ' C' ' 22' ' ' ILE . 38.6 t -133.64 114.36 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -77.82 112.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -117.14 132.44 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 125.141 1.376 . . . . 0.0 109.097 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.21 142.25 15.54 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 124.353 0.978 . . . . 0.0 112.253 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 1' ' ' MET . 72.7 mt -126.2 126.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 108.862 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -120.29 101.58 7.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.402 0.681 . . . . 0.0 110.039 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.86 156.98 72.47 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.979 0.911 . . . . 0.0 110.665 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.83 153.97 72.47 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.105 2.537 . . . . 0.0 111.51 172.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -67.47 -0.69 3.95 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.71 -21.64 66.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.19 0.996 . . . . 0.0 111.258 168.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -126.25 147.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.449 1.099 . . . . 0.0 110.496 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.28 19.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.036 -0.415 . . . . 0.0 111.243 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -135.69 131.82 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.006 0.523 . . . . 0.0 109.79 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -153.34 157.13 39.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.532 0.733 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -66.26 152.9 43.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.22 -27.71 69.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.23 0.923 . . . . 0.0 111.629 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.76 -26.22 66.01 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.849 0.86 . . . . 0.0 113.217 173.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.55 -29.69 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.116 0.966 . . . . 0.0 110.638 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.14 -41.94 80.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.187 -0.946 . . . . 0.0 111.124 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.07 -25.54 67.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.319 0.648 . . . . 0.0 112.473 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.64 -38.68 62.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.567 0.747 . . . . 0.0 111.565 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.455 -0.176 0 CA-C-N 118.565 0.621 . . . . 0.0 110.395 172.847 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.604 ' HG2' HD11 ' D' ' 3' ' ' ILE 0.292 4.0 tpp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -125.47 104.69 8.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.587 2.355 . . . . 0.0 107.905 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.604 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -94.51 143.82 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.532 1.533 . . . . 0.0 110.268 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.72 164.44 29.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.707 1.603 . . . . 0.0 111.593 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.16 114.77 24.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.884 0.873 . . . . 0.0 108.857 165.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.499 ' HG3' HD11 ' D' ' 12' ' ' ILE . 1.0 OUTLIER -118.67 144.08 46.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.599 0.36 . . . . 0.0 110.218 169.434 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -91.22 164.88 13.73 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 123.032 0.207 . . . . 0.0 111.125 173.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -55.51 140.86 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.067 0.46 . . . . 0.0 111.765 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 -1.16 89.06 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.134 0.873 . . . . 0.0 114.067 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -90.59 171.26 9.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.756 1.278 . . . . 0.0 112.494 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -137.08 161.01 37.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.717 0.807 . . . . 0.0 112.46 -169.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' D' ' 6' ' ' ARG . 12.3 mt -152.41 157.83 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 C-N-CA 127.29 2.236 . . . . 0.0 108.635 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -134.39 149.26 50.79 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.904 1.282 . . . . 0.0 111.485 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -134.22 137.55 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.168 1.387 . . . . 0.0 108.927 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -134.78 52.23 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -125.12 4.74 7.88 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.735 0.814 . . . . 0.0 112.053 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.78 -5.02 2.48 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -172.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.47 136.28 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 118.803 0.729 . . . . 0.0 110.427 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 28.9 m -129.75 143.17 50.69 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.531 1.133 . . . . 0.0 109.598 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 mm -126.48 140.33 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.65 1.18 . . . . 0.0 108.612 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -133.45 130.97 39.36 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.627 0.771 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.27 106.03 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.37 -30.56 47.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.366 0.667 . . . . 0.0 110.623 -171.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -179.23 40.13 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 112.616 -0.194 . . . . 0.0 112.616 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -108.03 159.8 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.027 0.442 . . . . 0.0 110.353 168.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -141.13 79.7 1.7 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.503 1.121 . . . . 0.0 108.581 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -111.76 3.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -96.78 -9.57 28.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.01 0.924 . . . . 0.0 110.934 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.76 153.52 24.08 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.813 0.816 . . . . 0.0 111.405 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.33 120.22 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -94.35 110.32 22.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.221 1.008 . . . . 0.0 108.732 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.28 127.25 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.79 0.836 . . . . 0.0 109.699 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.81 134.7 12.31 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.74 142.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.763 0.825 . . . . 0.0 108.883 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -138.03 106.44 5.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.462 0.705 . . . . 0.0 109.351 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.58 156.43 74.81 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 124.402 1.081 . . . . 0.0 109.623 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.25 151.38 82.6 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.242 1.961 . . . . 0.0 110.757 170.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -70.16 -1.04 8.96 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.9 -20.72 65.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.873 1.269 . . . . 0.0 111.467 168.342 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -127.02 160.02 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.633 1.173 . . . . 0.0 110.705 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.13 16.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.93 126.37 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 O-C-N 121.878 -0.514 . . . . 0.0 109.912 168.453 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -149.57 166.44 29.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.853 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.85 158.75 24.27 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.71 -34.74 73.3 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.914 0.779 . . . . 0.0 110.718 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -48.05 -39.8 21.1 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 125.335 1.454 . . . . 0.0 112.555 170.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -98.5 -36.06 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.775 1.23 . . . . 0.0 110.538 -169.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.76 -40.51 75.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.167 0.587 . . . . 0.0 110.638 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.1 -20.98 66.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.947 0.899 . . . . 0.0 112.664 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -83.8 -39.49 19.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.414 1.086 . . . . 0.0 112.039 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.099 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 119.421 -0.323 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.94 136.24 53.11 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.214 0.606 . . . . 0.0 110.566 176.415 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mm -115.66 125.21 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.484 1.114 . . . . 0.0 109.12 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.39 155.37 33.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.886 1.674 . . . . 0.0 110.097 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -136.12 112.12 9.62 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 165.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -132.53 141.28 48.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.464 1.106 . . . . 0.0 110.292 -170.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -89.38 172.05 9.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -60.7 139.27 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.016 0.436 . . . . 0.0 111.845 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.6 -3.01 87.4 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.155 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -83.96 171.69 12.77 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.9 1.35 . . . . 0.0 111.728 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.92 156.67 47.63 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.755 0.822 . . . . 0.0 112.219 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -141.95 156.39 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 125.998 1.719 . . . . 0.0 108.265 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -136.33 149.73 48.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.322 -0.861 . . . . 0.0 112.919 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.8 mt -136.84 141.03 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.668 1.187 . . . . 0.0 109.007 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -138.54 48.13 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -126.5 10.06 7.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.311 173.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -133.56 -5.39 2.9 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.84 135.77 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.375 0.988 . . . . 0.0 110.933 -173.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -128.3 146.4 50.77 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.38 1.072 . . . . 0.0 110.384 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -126.45 140.52 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.919 1.688 . . . . 0.0 108.22 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 42.1 m -136.6 132.28 34.9 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.133 0.573 . . . . 0.0 109.951 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -86.14 109.91 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.32 -28.26 47.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.921 0.489 . . . . 0.0 110.862 -175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.05 -172.89 33.39 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 123.405 0.526 . . . . 0.0 113.463 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -119.94 158.83 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 123.617 0.767 . . . . 0.0 112.05 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.1 p -148.47 89.98 1.75 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.94 1.296 . . . . 0.0 109.409 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.32 -112.04 3.97 Favored Glycine 0 CA--C 1.525 0.712 0 O-C-N 121.48 -0.763 . . . . 0.0 111.63 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -93.7 -19.25 21.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.676 0.738 . . . . 0.0 111.636 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.31 146.23 47.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.457 0.646 . . . . 0.0 110.197 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.63 115.23 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -85.96 124.26 32.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -131.0 135.88 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.609 0.764 . . . . 0.0 110.255 -168.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.09 146.15 16.03 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.675 1.131 . . . . 0.0 111.729 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.2 mt -136.59 134.89 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.211 1.404 . . . . 0.0 108.834 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -135.64 101.16 4.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.98 155.63 76.19 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.773 1.229 . . . . 0.0 110.407 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.92 158.53 42.62 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.934 2.422 . . . . 0.0 111.901 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -73.8 -0.95 17.35 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 172.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.82 -19.52 65.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.561 1.145 . . . . 0.0 111.702 168.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.48 161.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.352 1.061 . . . . 0.0 110.736 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.18 157.36 15.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 42' ' ' VAL . . . . . 0.415 HG13 HD12 ' F' ' 2' ' ' LEU . 0.3 OUTLIER -154.95 126.96 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 110.474 169.38 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -151.49 175.48 12.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.421 1.088 . . . . 0.0 110.212 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -72.9 162.91 28.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.882 -0.511 . . . . 0.0 110.218 169.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -63.84 -22.46 66.93 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.532 0.333 . . . . 0.0 111.526 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.24 -40.37 77.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.971 1.309 . . . . 0.0 111.417 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.05 -33.69 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.674 0.789 . . . . 0.0 110.218 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -53.91 -38.17 64.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.057 0.943 . . . . 0.0 112.288 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.11 -21.87 64.12 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.043 0.937 . . . . 0.0 112.892 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -83.74 -46.07 12.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.38 -22.97 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.828 0.851 . . . . 0.0 111.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 167.923 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 111.06 0.022 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 2' ' ' LEU . . . . . 0.415 HD12 HG13 ' E' ' 42' ' ' VAL . 6.9 mt -98.15 148.23 23.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 111.547 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.57 138.46 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.593 0.757 . . . . 0.0 109.417 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.57 165.02 26.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.872 1.269 . . . . 0.0 110.296 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.16 102.94 7.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 168.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.421 ' CZ ' ' HA ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -108.3 134.82 50.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 125.387 1.475 . . . . 0.0 110.943 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.51 165.91 11.77 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 119.438 1.017 . . . . 0.0 113.571 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.1 m -57.36 136.27 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.508 -170.03 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.15 78.82 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.247 0.927 . . . . 0.0 113.795 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.6 168.33 9.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.667 1.233 . . . . 0.0 111.621 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.3 m -132.74 159.61 39.2 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 59.0 mt -138.56 159.06 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 127.24 2.216 . . . . 0.0 107.752 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -135.14 152.11 51.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.266 -0.896 . . . . 0.0 112.66 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.9 mt -137.12 143.51 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.694 1.198 . . . . 0.0 108.891 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.96 -136.36 51.3 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -125.63 10.04 7.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.283 1.033 . . . . 0.0 111.778 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.83 -9.69 1.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.21 136.25 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.019 0.827 . . . . 0.0 110.561 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -128.72 142.2 51.08 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.482 1.113 . . . . 0.0 110.229 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -124.07 142.94 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.613 1.565 . . . . 0.0 108.285 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 28.9 m -139.1 131.44 28.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.014 0.526 . . . . 0.0 110.084 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.9 115.69 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -88.55 -28.0 21.03 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 121.689 -0.632 . . . . 0.0 111.431 -171.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.78 -178.44 34.08 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 123.262 0.458 . . . . 0.0 113.251 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.9 157.34 35.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 CA-C-N 117.273 0.536 . . . . 0.0 112.136 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -150.04 100.75 2.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.565 1.146 . . . . 0.0 109.379 169.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.77 -108.01 2.36 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.871 -0.518 . . . . 0.0 111.888 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -101.24 -18.75 15.99 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.426 0.613 . . . . 0.0 111.84 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -72.16 144.12 48.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.561 0.696 . . . . 0.0 110.289 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.85 116.75 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -86.95 129.67 34.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.622 0.769 . . . . 0.0 109.299 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.61 146.82 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.576 1.15 . . . . 0.0 110.322 -167.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.91 140.91 15.53 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.467 1.032 . . . . 0.0 111.22 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.17 133.06 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.303 1.041 . . . . 0.0 109.238 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -134.98 105.79 6.53 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.307 0.643 . . . . 0.0 109.661 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.39 158.49 75.08 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.06 0.944 . . . . 0.0 111.448 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -64.99 162.37 32.82 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.031 2.487 . . . . 0.0 112.459 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.05 -4.67 26.21 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.493 0.717 . . . . 0.0 112.61 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.55 -18.12 63.63 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.867 1.267 . . . . 0.0 112.514 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.03 168.01 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.986 0.914 . . . . 0.0 111.275 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.57 162.59 12.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.628 0.771 . . . . 0.0 111.885 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.01 117.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.639 0.776 . . . . 0.0 110.561 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -154.46 173.58 16.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.91 0.884 . . . . 0.0 110.548 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -79.81 164.11 23.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.836 -0.54 . . . . 0.0 110.281 168.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.05 0.54 . . . . 0.0 112.366 -172.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.24 -45.56 90.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.018 0.927 . . . . 0.0 111.44 174.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.45 -28.72 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.616 0.766 . . . . 0.0 110.009 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.52 -37.69 58.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.868 0.867 . . . . 0.0 112.326 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -60.94 -25.26 66.67 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.666 1.186 . . . . 0.0 113.079 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -75.15 -22.43 58.14 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 127.122 2.169 . . . . 0.0 112.548 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 16.5 mt . . . . . 0 N--CA 1.455 -0.2 0 C-N-CA 124.625 1.17 . . . . 0.0 113.418 -168.698 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 119.16 -0.448 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.47 112.81 24.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.751 0.82 . . . . 0.0 109.781 -175.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.01 136.5 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.794 0.838 . . . . 0.0 109.484 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt -132.23 161.11 34.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.303 1.041 . . . . 0.0 110.101 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.0 m -124.64 100.93 6.87 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.131 0.972 . . . . 0.0 108.484 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -113.39 135.14 54.19 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.592 0.757 . . . . 0.0 109.999 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -98.43 159.08 15.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.298 0.499 . . . . 0.0 110.172 -176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.44 HG13 ' HA2' ' A' ' 24' ' ' GLY . 68.5 t -46.98 129.83 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.58 0.752 . . . . 0.0 111.044 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.13 3.94 67.19 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.034 0.826 . . . . 0.0 114.185 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -111.74 169.38 8.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.346 1.073 . . . . 0.0 111.097 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 m -134.6 152.97 52.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 8.0 mm -113.36 155.61 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 125.955 1.702 . . . . 0.0 110.058 169.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -129.25 138.56 51.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.258 1.023 . . . . 0.0 110.706 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -133.01 130.36 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.089 0.956 . . . . 0.0 109.675 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.59 -130.02 28.28 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.07 -2.61 7.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.926 0.89 . . . . 0.0 112.46 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.34 -21.47 2.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -169.515 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.18 137.48 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 118.817 0.735 . . . . 0.0 110.342 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -136.64 144.73 44.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.692 0.797 . . . . 0.0 109.396 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -127.63 140.12 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.419 1.087 . . . . 0.0 108.307 -176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -135.6 134.12 38.98 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.543 0.61 . . . . 0.0 110.402 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -84.78 97.42 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -23.91 61.6 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.94 -0.475 . . . . 0.0 110.351 -176.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.44 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 167.77 -173.33 42.74 Favored Glycine 0 C--N 1.339 0.699 0 CA-C-N 118.336 0.516 . . . . 0.0 113.785 168.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.67 157.99 43.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 123.866 0.866 . . . . 0.0 112.067 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -145.3 62.14 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.566 1.546 . . . . 0.0 110.033 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.88 -117.69 5.78 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.85 -15.0 62.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.271 0.628 . . . . 0.0 111.104 173.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -98.92 153.76 18.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.346 0.593 . . . . 0.0 111.957 -176.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -139.49 117.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.467 1.507 . . . . 0.0 109.053 -168.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.16 101.9 13.92 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 121.947 -0.471 . . . . 0.0 110.54 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.9 mt -109.41 132.11 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.721 1.208 . . . . 0.0 109.694 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 137.03 13.51 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.931 0.776 . . . . 0.0 111.327 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.0 mt -109.93 131.0 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.164 1.385 . . . . 0.0 108.47 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -118.8 74.92 0.99 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.644 1.177 . . . . 0.0 109.506 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.41 152.83 44.18 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.74 171.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.6 155.79 49.69 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.569 2.179 . . . . 0.0 110.555 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -69.58 -3.9 16.88 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.04 -23.82 64.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.773 0.829 . . . . 0.0 111.768 169.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -116.1 144.02 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 122.074 0.94 . . . . 0.0 111.688 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.11 142.63 32.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.0 0.92 . . . . 0.0 110.591 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 m -134.2 130.8 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.734 0.414 . . . . 0.0 110.295 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -151.95 160.63 43.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.585 0.754 . . . . 0.0 110.885 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 164.73 15.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.231 168.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.95 -26.87 66.17 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -167.254 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -75.75 -1.74 26.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.712 -0.617 . . . . 0.0 111.747 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.92 -33.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.121 0.968 . . . . 0.0 111.596 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -59.46 -33.35 71.18 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.37 0.986 . . . . 0.0 110.664 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.64 -13.5 59.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.516 0.726 . . . . 0.0 112.156 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -79.63 -34.04 40.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.77 0.828 . . . . 0.0 111.098 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.432 HG22 ' OE1' ' A' ' 52' ' ' GLN . 50.6 mt -65.48 -50.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 0.0 109.05 172.463 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.432 ' OE1' HG22 ' A' ' 51' ' ' ILE . 21.6 mm100 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 123.405 0.682 . . . . 0.0 112.108 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.92 116.56 32.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.62 140.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.989 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt -135.61 136.11 40.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.383 1.073 . . . . 0.0 109.058 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.3 m -98.04 100.71 12.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.415 ' HE ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 tpm_? -95.95 172.99 7.66 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.604 1.561 . . . . 0.0 108.734 -168.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -127.27 160.69 30.54 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.425 1.011 . . . . 0.0 111.405 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -58.61 129.47 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 121.59 0.709 . . . . 0.0 111.307 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.28 -7.28 66.46 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-N 115.054 -0.976 . . . . 0.0 114.508 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' GLU . . . . . 0.415 ' CD ' ' HE ' ' B' ' 6' ' ' ARG . 29.9 mt-10 -79.86 166.08 22.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.81 1.305 . . . . 0.0 111.26 169.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -131.7 157.71 43.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.799 0.839 . . . . 0.0 112.114 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 mt -134.04 155.57 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 126.168 1.787 . . . . 0.0 108.712 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -138.31 140.25 39.47 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.689 0.795 . . . . 0.0 110.403 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.5 mt -134.16 127.99 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.162 0.985 . . . . 0.0 109.605 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -132.37 52.49 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.19 5.06 5.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.7 0.8 . . . . 0.0 112.917 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -116.98 -19.32 9.84 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.86 137.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 119.135 0.879 . . . . 0.0 111.345 -169.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.17 150.9 51.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.834 1.254 . . . . 0.0 109.763 169.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -130.59 144.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.177 1.791 . . . . 0.0 107.923 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -135.58 130.38 34.38 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.73 0.412 . . . . 0.0 110.009 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.29 92.21 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.11 -33.66 76.55 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.019 -0.425 . . . . 0.0 111.085 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.76 -178.42 39.24 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 112.338 -0.305 . . . . 0.0 112.338 171.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.22 146.96 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.114 0.483 . . . . 0.0 109.796 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -122.75 77.68 1.46 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 170.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -119.69 4.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.67 10.01 41.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.228 -0.572 . . . . 0.0 111.057 172.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.97 154.1 18.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.954 0.902 . . . . 0.0 109.966 170.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.12 113.65 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -170.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -86.03 118.34 25.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.861 1.264 . . . . 0.0 109.492 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -128.63 129.37 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.245 1.018 . . . . 0.0 109.533 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.09 137.92 13.78 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -120.93 129.97 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.909 0.861 . . . . 0.0 109.242 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -130.29 75.0 1.63 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.393 -168.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.22 157.99 54.24 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.679 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.1 157.29 40.09 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.06 1.84 . . . . 0.0 111.373 169.501 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -68.68 -0.83 5.73 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.19 0.996 . . . . 0.0 112.178 169.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.89 -28.49 68.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.512 1.525 . . . . 0.0 111.32 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.3 144.19 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.527 1.131 . . . . 0.0 109.997 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 142.17 29.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 111.258 169.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.52 98.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.639 -166.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.64 158.2 43.88 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.267 0.556 . . . . 0.0 111.845 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 4.9 ptt85 -64.66 154.52 36.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.339 0.656 . . . . 0.0 111.617 169.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -55.42 -41.77 73.24 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.25 0.62 . . . . 0.0 112.232 -171.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.86 -23.58 63.53 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -89.32 -50.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.175 0.99 . . . . 0.0 110.501 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.21 -35.98 39.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.857 1.263 . . . . 0.0 112.175 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.33 -22.61 62.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.4 mpt_? -77.76 -41.37 37.77 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 119.175 0.898 . . . . 0.0 109.957 169.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.41 -39.85 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.348 0.659 . . . . 0.0 109.314 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -80.59 4.74 17.54 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 174.129 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.07 -19.3 47.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.118 0.567 . . . . 0.0 111.539 168.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.33 48.55 0.09 OUTLIER Glycine 0 CA--C 1.526 0.724 0 C-N-CA 123.469 0.557 . . . . 0.0 113.851 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.8 -176.42 2.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.674 0.737 . . . . 0.0 112.518 -168.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.5 p -128.46 -178.23 4.49 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.157 1.383 . . . . 0.0 109.829 168.307 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.92 120.99 2.33 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -52.25 -46.54 32.1 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.757 2.971 . . . . 0.0 113.341 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.451 -0.421 0 C-N-CA 123.903 0.881 . . . . 0.0 110.408 -173.12 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.42 109.42 21.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -175.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.3 129.01 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.27 134.95 55.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.423 0.689 . . . . 0.0 109.257 168.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.4 p -87.0 143.64 27.25 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 168.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.11 133.02 20.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -77.45 150.14 35.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.619 1.168 . . . . 0.0 109.734 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.87 137.69 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 O-C-N 121.922 -0.486 . . . . 0.0 111.913 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.27 -4.03 76.8 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 124.539 1.066 . . . . 0.0 114.039 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -99.48 170.18 8.8 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.118 1.459 . . . . 0.0 112.35 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -124.2 159.29 30.45 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.44 154.74 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 127.592 2.357 . . . . 0.0 108.157 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -128.02 149.12 50.51 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.159 -0.963 . . . . 0.0 111.612 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.21 131.33 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.627 1.171 . . . . 0.0 109.295 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -137.62 49.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.46 9.97 7.25 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.392 170.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -121.29 -13.42 8.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.046 0.938 . . . . 0.0 113.301 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.27 133.21 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.824 0.738 . . . . 0.0 110.88 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -120.16 142.89 48.55 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.916 0.886 . . . . 0.0 109.758 172.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 mm -120.31 140.96 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.034 1.334 . . . . 0.0 108.38 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.98 129.27 25.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.723 -0.611 . . . . 0.0 110.74 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -83.23 104.77 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -83.89 -33.42 24.77 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.878 -0.513 . . . . 0.0 109.898 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.97 -170.86 42.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 113.758 0.263 . . . . 0.0 113.758 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.58 153.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.643 0.777 . . . . 0.0 110.807 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -140.79 97.45 3.2 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.562 1.145 . . . . 0.0 108.294 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.94 -119.14 12.63 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -169.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.4 -4.15 38.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.13 0.972 . . . . 0.0 112.327 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -81.66 152.89 26.9 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.158 0.504 . . . . 0.0 110.063 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -130.24 120.63 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -78.21 110.61 13.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mt -114.53 131.83 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.848 1.259 . . . . 0.0 109.386 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.88 141.48 15.23 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.645 1.116 . . . . 0.0 112.092 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 mt -133.65 119.89 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.964 1.306 . . . . 0.0 107.836 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -125.96 99.05 5.76 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.156 -0.34 . . . . 0.0 110.335 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.54 158.43 53.91 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.012 . . . . 0.0 110.638 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.65 152.38 78.3 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.007 2.471 . . . . 0.0 111.529 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.63 -0.88 2.28 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 172.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.07 -22.91 66.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.255 1.022 . . . . 0.0 111.342 169.679 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.47 144.21 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 110.172 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.612 0.365 . . . . 0.0 110.989 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 m -136.72 133.67 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.823 0.449 . . . . 0.0 110.012 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -156.26 163.4 39.6 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.437 0.695 . . . . 0.0 111.497 -174.246 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -80.01 162.67 24.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 165.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.58 -32.28 72.37 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.31 -46.53 85.97 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.704 0.802 . . . . 0.0 111.551 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -84.84 -31.78 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.061 0.544 . . . . 0.0 110.478 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.57 -39.74 61.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 112.281 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -58.52 -31.89 68.34 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.829 0.852 . . . . 0.0 112.284 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -70.23 -38.32 75.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.937 0.495 . . . . 0.0 111.486 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-N 118.583 0.629 . . . . 0.0 110.699 177.483 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttp . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.781 -0.152 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.95 120.56 38.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.19 1.796 . . . . 0.0 108.216 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.14 134.09 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.85 0.86 . . . . 0.0 109.467 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.34 163.04 29.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.009 1.324 . . . . 0.0 111.243 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 113.87 27.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 164.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.77 128.94 56.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.718 0.807 . . . . 0.0 109.723 175.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.28 156.69 33.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.723 0.692 . . . . 0.0 110.625 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.822 HG11 HG12 ' D' ' 25' ' ' VAL . 15.7 m -54.0 135.09 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.558 -0.747 . . . . 0.0 112.026 169.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 -3.23 76.17 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.398 0.999 . . . . 0.0 114.083 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -98.22 179.78 4.63 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.875 1.338 . . . . 0.0 111.928 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.6 m -136.19 155.52 50.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.553 0.741 . . . . 0.0 112.898 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mt -136.96 160.23 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 126.903 2.081 . . . . 0.0 108.7 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -136.98 149.74 47.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.853 0.861 . . . . 0.0 111.992 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -135.51 135.53 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.929 1.292 . . . . 0.0 109.042 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.31 -138.35 49.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.59 8.66 9.53 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.731 0.812 . . . . 0.0 111.794 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -129.86 -11.98 4.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.22 136.47 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.931 0.787 . . . . 0.0 110.747 -172.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -121.07 148.11 44.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.386 1.074 . . . . 0.0 109.987 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -128.31 143.3 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.913 1.685 . . . . 0.0 107.717 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -139.19 127.14 22.25 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 121.778 -0.576 . . . . 0.0 109.898 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -88.52 86.57 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.99 -34.68 78.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.899 -0.5 . . . . 0.0 111.73 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -170.37 42.92 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.941 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.822 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -140.54 131.4 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.515 1.126 . . . . 0.0 110.413 -169.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -136.94 87.7 2.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.352 1.461 . . . . 0.0 108.959 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -122.64 14.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.93 -15.94 33.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 111.108 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.72 151.08 24.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.6 0.714 . . . . 0.0 112.013 176.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.87 126.52 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -169.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -84.27 116.9 23.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.867 0.467 . . . . 0.0 110.024 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -122.57 115.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.003 0.921 . . . . 0.0 109.333 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.69 143.44 22.45 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.941 1.258 . . . . 0.0 110.96 171.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.29 138.99 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -136.42 89.94 2.51 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.14 154.77 74.27 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 109.367 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.49 150.19 86.33 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.979 1.786 . . . . 0.0 110.559 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.88 -1.04 6.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.92 -22.93 65.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.824 1.25 . . . . 0.0 111.389 168.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.67 159.99 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.138 0.975 . . . . 0.0 110.708 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.09 157.04 16.62 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.331 0.652 . . . . 0.0 112.175 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.29 125.87 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.813 0.445 . . . . 0.0 110.056 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -152.78 167.07 30.23 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.615 0.766 . . . . 0.0 111.666 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 mpp_? -63.21 159.96 16.62 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 167.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -62.6 -33.27 74.66 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.569 -0.707 . . . . 0.0 111.499 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -52.08 -43.1 63.71 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.564 1.146 . . . . 0.0 111.871 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -89.86 -38.73 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 124.116 0.966 . . . . 0.0 111.029 -169.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -45.52 -39.76 7.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.805 1.242 . . . . 0.0 112.106 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -60.75 -27.89 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.791 1.236 . . . . 0.0 113.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.01 -47.39 37.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.83 0.741 . . . . 0.0 109.76 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.532 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.0 mp . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 122.793 0.437 . . . . 0.0 110.317 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -80.9 111.0 16.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -172.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -115.01 126.27 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 108.99 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -146.55 165.11 30.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.284 1.033 . . . . 0.0 111.038 -173.521 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 5' ' ' THR . . . . . 0.419 HG22 ' HG2' ' F' ' 29' ' ' GLN . 0.9 OUTLIER -121.58 129.06 52.61 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.824 0.45 . . . . 0.0 110.362 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -128.96 130.52 46.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.229 1.412 . . . . 0.0 110.82 -169.268 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -83.48 158.93 21.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.733 0.301 . . . . 0.0 111.496 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.71 136.3 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.54 83.57 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 124.002 0.81 . . . . 0.0 114.308 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -94.83 174.88 6.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.846 1.323 . . . . 0.0 111.525 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -137.82 158.77 43.66 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -139.04 156.07 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 126.911 2.084 . . . . 0.0 108.362 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.48 150.45 52.15 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.44 -0.787 . . . . 0.0 113.076 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.01 140.73 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.788 1.235 . . . . 0.0 108.9 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.91 -136.73 51.0 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -124.53 8.58 8.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.903 0.881 . . . . 0.0 111.514 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -135.76 -7.74 2.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -169.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.82 136.95 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 118.928 0.786 . . . . 0.0 110.81 -173.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.39 142.62 51.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.564 1.146 . . . . 0.0 110.015 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.4 136.83 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.394 1.477 . . . . 0.0 108.175 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -134.25 126.3 29.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.124 0.569 . . . . 0.0 109.686 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.07 101.19 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.96 -30.02 66.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.085 -0.384 . . . . 0.0 110.869 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.02 -171.38 34.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.338 0.494 . . . . 0.0 113.32 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -118.86 153.62 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.461 0.704 . . . . 0.0 112.041 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -142.24 89.87 2.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.956 1.302 . . . . 0.0 109.017 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.74 -126.43 37.15 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -171.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -76.2 -24.99 54.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.569 0.685 . . . . 0.0 112.353 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.65 144.76 52.82 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -135.1 118.51 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -88.85 118.61 28.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.12 129.29 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.661 0.784 . . . . 0.0 110.16 -169.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.85 141.68 15.65 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.352 0.977 . . . . 0.0 111.341 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.37 126.31 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.823 1.249 . . . . 0.0 108.651 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -127.97 99.25 5.43 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -172.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 154.85 81.14 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.557 1.143 . . . . 0.0 110.394 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.72 157.45 42.48 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.736 2.291 . . . . 0.0 112.049 172.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 -0.98 12.06 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.462 0.705 . . . . 0.0 112.589 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.72 -23.33 66.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.704 1.202 . . . . 0.0 111.833 169.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -121.86 158.62 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.001 0.92 . . . . 0.0 110.69 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.75 16.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.898 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.066 0.546 . . . . 0.0 110.251 169.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -151.48 170.15 20.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.086 0.954 . . . . 0.0 110.626 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.77 159.26 32.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.78 -23.71 67.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.765 0.317 . . . . 0.0 111.356 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -67.25 -40.16 86.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.97 1.308 . . . . 0.0 111.592 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.49 -33.47 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.484 0.714 . . . . 0.0 109.573 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 48' ' ' TYR . . . . . 0.537 ' HA ' HG12 ' E' ' 51' ' ' ILE . 62.3 t80 -52.44 -35.09 51.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.421 1.088 . . . . 0.0 112.515 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.35 -23.57 67.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.116 0.567 . . . . 0.0 112.32 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.84 -39.8 25.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.151 0.581 . . . . 0.0 110.407 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 51' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' E' ' 48' ' ' TYR . 8.4 mm -52.68 -37.68 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.885 0.874 . . . . 0.0 111.193 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.793 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.87 148.35 22.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.823 0.449 . . . . 0.0 111.372 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.13 133.57 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 169.63 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.77 163.82 26.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.494 1.117 . . . . 0.0 109.862 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.54 98.51 5.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 169.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.98 132.95 50.57 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.368 1.467 . . . . 0.0 110.528 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -96.18 165.69 12.1 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 119.946 1.248 . . . . 0.0 113.444 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.84 135.0 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.439 -168.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.3 -2.94 75.4 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.399 1.0 . . . . 0.0 113.896 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -99.2 166.5 11.2 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.539 1.169 . . . . 0.0 111.407 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -129.32 158.44 39.09 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -137.3 156.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 126.922 2.089 . . . . 0.0 107.937 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.85 149.65 51.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.849 0.859 . . . . 0.0 112.08 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -135.08 138.64 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.553 1.141 . . . . 0.0 108.908 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.1 -134.91 52.24 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -172.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -127.02 10.05 6.9 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.313 1.045 . . . . 0.0 112.358 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.74 -18.41 3.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.1 136.89 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 119.162 0.892 . . . . 0.0 110.597 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.4 m -128.21 142.76 51.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.303 1.041 . . . . 0.0 110.374 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -123.07 142.34 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 108.157 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -136.45 129.35 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.823 0.449 . . . . 0.0 110.001 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.62 106.06 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.85 -31.07 56.59 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.736 -0.603 . . . . 0.0 111.005 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.31 -174.47 37.05 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 113.702 0.241 . . . . 0.0 113.702 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.97 155.82 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.62 0.768 . . . . 0.0 111.495 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -145.54 89.93 1.96 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.517 1.127 . . . . 0.0 108.808 169.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.03 -121.7 25.45 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -80.24 -20.41 44.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' E' ' 5' ' ' THR . 0.6 OUTLIER -77.48 145.11 37.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.652 0.781 . . . . 0.0 110.937 177.137 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.18 116.05 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -90.96 125.81 35.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.856 0.462 . . . . 0.0 110.123 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -131.61 143.51 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.367 1.067 . . . . 0.0 109.258 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.41 141.32 16.05 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 124.148 0.88 . . . . 0.0 111.472 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 30.9 mt -130.12 127.1 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.091 0.956 . . . . 0.0 110.056 -175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -122.05 108.02 12.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.497 1.119 . . . . 0.0 109.162 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.16 157.64 74.03 Favored Pre-proline 0 N--CA 1.453 -0.28 0 C-N-CA 123.588 0.755 . . . . 0.0 111.476 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -64.78 162.49 31.59 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 123.091 2.527 . . . . 0.0 112.315 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -69.55 -2.36 11.2 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.419 0.688 . . . . 0.0 112.335 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.41 -24.73 66.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.24 1.416 . . . . 0.0 112.307 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -125.72 163.22 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.971 0.908 . . . . 0.0 111.257 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.28 161.52 14.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.458 0.703 . . . . 0.0 111.311 169.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.06 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.15 0.58 . . . . 0.0 110.404 170.068 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -154.32 174.52 14.72 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.4 163.84 23.54 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.797 -0.564 . . . . 0.0 110.167 168.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -64.13 -24.39 67.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.18 -53.29 59.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.362 0.665 . . . . 0.0 110.781 171.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.84 -32.82 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 122.923 0.489 . . . . 0.0 109.707 -173.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.71 -32.77 53.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.505 0.722 . . . . 0.0 112.923 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -59.68 -21.76 61.02 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.121 1.368 . . . . 0.0 113.059 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -77.16 -46.31 23.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.967 0.507 . . . . 0.0 111.616 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.528 0.101 0 C-N-CA 125.959 1.704 . . . . 0.0 114.096 -167.579 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.86 118.93 37.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.702 0.801 . . . . 0.0 109.45 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.77 135.82 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.121 0.968 . . . . 0.0 110.4 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -134.73 153.95 51.79 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.685 1.194 . . . . 0.0 110.143 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 m -128.08 101.11 6.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.92 0.888 . . . . 0.0 109.788 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -128.7 155.55 44.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 122.01 -0.431 . . . . 0.0 111.78 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 161.91 13.8 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.285 -172.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG13 ' HA2' ' A' ' 24' ' ' GLY . 48.1 t -43.58 128.27 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.652 0.781 . . . . 0.0 110.787 169.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.06 -15.16 63.97 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.263 0.935 . . . . 0.0 113.843 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -86.31 170.77 11.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.785 1.293 . . . . 0.0 112.749 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.4 m -139.28 155.88 47.43 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 12.8 mm -126.09 157.84 35.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.496 1.918 . . . . 0.0 109.683 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -128.66 140.71 51.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.357 1.063 . . . . 0.0 111.438 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.58 131.48 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.413 1.085 . . . . 0.0 109.751 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.01 -130.96 33.35 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -125.78 1.82 7.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.872 0.869 . . . . 0.0 112.103 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.54 -17.12 1.52 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.267 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.06 134.09 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 119.027 0.83 . . . . 0.0 110.342 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -128.09 142.72 51.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.698 0.799 . . . . 0.0 109.694 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -120.73 143.81 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.739 1.216 . . . . 0.0 108.497 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.9 m -136.46 132.76 35.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.235 0.614 . . . . 0.0 110.064 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.52 96.52 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.91 -30.48 68.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.32 -171.18 44.1 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 117.712 0.233 . . . . 0.0 113.566 169.205 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.0 147.27 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.716 0.807 . . . . 0.0 111.144 -171.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.48 70.61 1.34 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.854 1.262 . . . . 0.0 109.976 -170.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.49 -124.57 10.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -80.15 -1.75 41.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.287 0.544 . . . . 0.0 112.259 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -98.91 155.49 17.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.837 0.827 . . . . 0.0 111.886 170.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -139.15 126.62 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 126.041 1.737 . . . . 0.0 108.31 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -104.34 101.82 11.51 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.48 0.712 . . . . 0.0 110.303 -175.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -107.86 130.74 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.224 1.409 . . . . 0.0 109.615 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.77 138.37 14.13 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.97 132.14 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.168 1.387 . . . . 0.0 108.47 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -121.02 75.05 1.12 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.512 1.125 . . . . 0.0 109.27 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.39 154.24 40.75 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 125.11 1.364 . . . . 0.0 110.663 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.19 154.09 56.83 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.564 2.176 . . . . 0.0 110.364 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -68.83 -4.78 17.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.8 -24.84 65.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.947 0.899 . . . . 0.0 111.99 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -117.71 144.09 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.98 0.895 . . . . 0.0 111.917 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.14 143.03 29.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.315 1.046 . . . . 0.0 110.874 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -133.62 125.49 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.921 0.488 . . . . 0.0 110.451 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -151.26 158.82 44.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -68.41 162.31 25.71 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.535 1.134 . . . . 0.0 110.414 169.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -59.58 -43.6 93.6 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.562 -0.711 . . . . 0.0 112.796 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 -79.73 1.7 25.57 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.17 -8.76 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.459 1.104 . . . . 0.0 110.687 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -80.07 -40.06 28.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.349 -1.47 . . . . 0.0 110.509 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -73.28 -23.38 60.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.792 0.437 . . . . 0.0 111.826 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -70.36 -26.77 63.89 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 173.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -80.08 -51.8 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.145 0.978 . . . . 0.0 109.568 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 123.518 0.727 . . . . 0.0 111.359 -178.133 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -114.21 123.38 49.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.602 168.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.5 mt -118.97 140.41 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -165.285 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -135.7 138.0 42.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.157 1.383 . . . . 0.0 110.66 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.4 m -115.5 106.31 13.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -126.34 156.34 40.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.373 1.069 . . . . 0.0 110.301 -169.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -96.74 168.15 10.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -62.72 133.12 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.244 0.545 . . . . 0.0 110.786 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.32 -2.48 78.35 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-O 119.094 -0.837 . . . . 0.0 114.526 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -87.76 162.36 17.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.051 1.425 . . . . 0.0 111.845 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -130.67 157.68 42.13 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.395 0.678 . . . . 0.0 112.498 -171.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -145.24 159.9 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 126.225 1.81 . . . . 0.0 108.403 -172.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -141.62 146.0 35.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.5 0.72 . . . . 0.0 111.865 -169.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.2 130.86 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.613 1.165 . . . . 0.0 109.587 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -133.96 50.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.03 5.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.817 0.847 . . . . 0.0 112.697 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -115.69 -18.79 10.76 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.14 135.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-N 119.016 0.825 . . . . 0.0 111.363 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -130.18 149.68 51.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.942 1.297 . . . . 0.0 109.877 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -129.18 143.71 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.066 1.746 . . . . 0.0 108.393 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.5 m -137.28 129.49 29.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.055 0.542 . . . . 0.0 109.939 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -80.78 104.45 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.74 -33.99 71.4 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.922 -0.486 . . . . 0.0 110.752 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.21 176.11 31.93 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.68 158.19 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.388 0.613 . . . . 0.0 110.389 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -135.65 75.95 1.59 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.66 1.184 . . . . 0.0 108.405 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.07 -122.6 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.78 11.44 39.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.052 -0.675 . . . . 0.0 111.541 171.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.1 158.41 15.69 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.939 0.896 . . . . 0.0 109.906 169.033 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -139.41 122.23 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.0 0.52 . . . . 0.0 110.282 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 119.57 31.42 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.305 1.442 . . . . 0.0 109.654 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.48 134.14 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.087 0.955 . . . . 0.0 110.142 -169.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.32 139.83 14.63 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 123.713 0.673 . . . . 0.0 111.961 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mt -124.57 131.01 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.093 0.957 . . . . 0.0 109.176 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -131.84 77.09 1.75 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.732 -167.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.59 157.18 57.38 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.284 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.14 155.05 41.78 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.705 1.603 . . . . 0.0 109.561 168.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -0.83 10.05 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.899 0.88 . . . . 0.0 111.106 175.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.78 -25.7 67.37 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.634 1.974 . . . . 0.0 111.528 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.7 144.15 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.73 1.212 . . . . 0.0 109.951 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.04 140.56 30.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.405 0.621 . . . . 0.0 111.849 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.6 t -144.83 99.32 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.276 -166.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.7 168.17 21.35 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.154 0.982 . . . . 0.0 110.553 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.9 ptt-85 -71.18 158.5 36.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.199 -0.313 . . . . 0.0 111.483 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.39 -32.84 62.97 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.929 0.892 . . . . 0.0 112.532 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -53.77 -51.21 64.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.065 0.848 . . . . 0.0 110.565 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.72 -43.44 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.899 1.279 . . . . 0.0 110.081 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -48.5 -38.77 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.212 1.005 . . . . 0.0 112.015 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.86 -27.21 65.61 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -79.41 -39.07 33.33 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 119.008 0.822 . . . . 0.0 110.478 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.46 -42.55 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -77.58 5.0 9.95 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.65 -18.84 50.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.285 0.493 . . . . 0.0 111.837 169.116 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.35 44.73 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.494 -0.615 . . . . 0.0 114.397 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.04 -174.42 2.04 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.851 0.826 . . . . 0.0 112.596 -168.248 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -127.03 175.35 8.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.062 1.345 . . . . 0.0 109.636 167.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.19 122.35 1.29 Allowed Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 124.34 1.056 . . . . 0.0 111.39 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -58.49 168.77 3.65 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 123.268 2.645 . . . . 0.0 114.581 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 124.593 1.157 . . . . 0.0 113.391 -174.827 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' D' ' 34' ' ' ILE 0.287 7.3 tpp . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.79 106.71 12.37 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.027 1.731 . . . . 0.0 106.527 166.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.16 133.73 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.539 0.736 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -128.88 144.54 51.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.444 1.097 . . . . 0.0 110.053 170.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -114.7 128.02 56.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.186 0.594 . . . . 0.0 110.864 173.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.676 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 32.6 mtp85 -140.7 150.85 43.98 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.415 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 2.7 tptm -75.39 160.41 30.3 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.091 1.356 . . . . 0.0 110.594 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.42 143.8 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 O-C-N 121.443 -0.786 . . . . 0.0 112.377 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.91 -3.77 86.7 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.85 1.214 . . . . 0.0 113.549 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' GLU . . . . . 0.676 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 73.8 mm-40 -86.58 164.16 17.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.937 1.368 . . . . 0.0 113.56 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -121.57 153.38 38.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.448 1.099 . . . . 0.0 112.99 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mt -145.37 156.91 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.979 2.112 . . . . 0.0 108.4 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -131.76 152.63 50.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.019 -1.051 . . . . 0.0 112.353 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.11 135.83 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 125.009 1.324 . . . . 0.0 109.576 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.89 -137.83 49.28 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -175.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -120.62 0.41 10.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.377 1.071 . . . . 0.0 111.011 169.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -122.49 -9.41 8.5 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.238 1.015 . . . . 0.0 113.239 -169.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.34 133.67 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 118.741 0.701 . . . . 0.0 110.659 -174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -116.76 147.38 42.1 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.656 0.782 . . . . 0.0 109.968 171.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -126.31 146.69 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.543 1.537 . . . . 0.0 108.147 177.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -143.62 133.05 23.4 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.409 -0.807 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -86.33 100.94 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 168.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.54 -36.37 60.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.834 -0.541 . . . . 0.0 109.751 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.63 -170.15 42.52 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.761 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.83 154.47 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.384 0.674 . . . . 0.0 110.735 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -139.64 90.04 2.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.211 1.004 . . . . 0.0 108.609 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -117.47 7.46 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -169.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.27 -3.35 44.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.62 0.768 . . . . 0.0 112.177 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' HG2' ' D' ' 7' ' ' LYS . 21.4 mt-30 -81.52 157.94 24.64 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.761 0.791 . . . . 0.0 111.816 173.005 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -137.96 112.63 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 125.716 1.606 . . . . 0.0 107.041 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -79.07 112.28 16.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 mt -109.97 127.1 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.857 1.263 . . . . 0.0 109.468 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 142.25 16.04 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 125.294 1.425 . . . . 0.0 111.303 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -136.38 135.14 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -138.07 94.74 2.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -171.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.04 156.48 75.67 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 123.897 0.879 . . . . 0.0 110.474 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.11 151.43 81.9 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.737 2.291 . . . . 0.0 110.992 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.22 -1.0 2.87 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 123.391 0.676 . . . . 0.0 112.557 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.76 -22.63 66.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.362 1.065 . . . . 0.0 111.33 169.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.36 149.54 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.204 1.002 . . . . 0.0 110.562 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.75 154.83 20.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.764 0.425 . . . . 0.0 111.455 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.66 131.29 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -153.74 167.08 30.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.105 0.562 . . . . 0.0 111.257 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.5 ' HA ' HD13 ' D' ' 12' ' ' ILE . 32.2 ptt-85 -87.3 158.0 19.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 166.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.68 -35.2 74.0 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -168.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.43 -18.9 63.78 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.109 0.963 . . . . 0.0 113.483 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mm -98.53 -34.48 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.014 0.926 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.65 -35.06 54.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.266 1.026 . . . . 0.0 112.159 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -61.33 -24.98 66.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.802 0.841 . . . . 0.0 112.9 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -68.73 -38.54 80.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.499 0.59 . . . . 0.0 111.603 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.456 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.6 mp . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mmm . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.9 112.36 11.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.118 1.767 . . . . 0.0 107.257 168.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.59 137.9 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.769 1.228 . . . . 0.0 109.421 -171.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 159.21 38.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.375 0.67 . . . . 0.0 111.74 173.355 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 19.3 p -90.93 144.83 25.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.372 0.606 . . . . 0.0 112.044 172.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -132.38 145.94 51.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.551 1.141 . . . . 0.0 108.23 166.544 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' C' ' 29' ' ' GLN . 74.5 mttt -92.74 158.71 15.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.508 169.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.523 HG12 ' HA2' ' D' ' 24' ' ' GLY . 31.3 m -42.79 133.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.55 -6.01 80.27 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.365 0.983 . . . . 0.0 114.177 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -94.38 170.59 9.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.79 1.295 . . . . 0.0 112.615 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.4 m -131.13 158.97 39.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.4 mm -139.69 153.78 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 128.412 2.685 . . . . 0.0 108.315 -174.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -132.36 145.79 51.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.041 0.936 . . . . 0.0 111.829 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 83.9 mt -133.38 139.56 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.834 1.253 . . . . 0.0 109.131 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.45 -131.88 52.27 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -173.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.94 9.93 5.41 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.617 0.767 . . . . 0.0 111.675 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.64 -8.41 4.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.973 0.909 . . . . 0.0 112.953 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.78 137.35 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.34 0.656 . . . . 0.0 110.608 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -127.68 142.6 51.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 109.489 174.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -125.94 141.14 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.956 1.302 . . . . 0.0 108.056 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -136.1 130.43 33.36 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -84.48 102.75 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.8 mt -73.3 -34.2 65.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.848 0.459 . . . . 0.0 110.241 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 24' ' ' GLY . . . . . 0.523 ' HA2' HG12 ' D' ' 8' ' ' VAL . . . 169.37 179.72 41.43 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 121.049 0.249 . . . . 0.0 112.846 168.546 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.502 HG12 HG11 ' D' ' 8' ' ' VAL . 8.0 p -121.06 135.0 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.364 1.066 . . . . 0.0 110.091 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -133.36 79.08 1.81 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.794 1.238 . . . . 0.0 109.073 -170.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.98 -118.83 5.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -171.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.415 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mt-30 -94.83 -8.57 37.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.604 0.762 . . . . 0.0 111.077 173.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -79.54 147.97 31.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.177 0.591 . . . . 0.0 110.523 173.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -127.32 123.83 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -95.7 107.75 19.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.495 1.118 . . . . 0.0 108.714 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -117.05 127.28 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.925 0.89 . . . . 0.0 109.982 -168.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.73 142.4 15.98 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 171.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 4.5 mp -127.51 138.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -136.05 89.97 2.53 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.79 155.31 79.51 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.676 1.191 . . . . 0.0 109.644 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.8 151.59 83.22 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.4 2.067 . . . . 0.0 110.905 169.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.05 -1.91 6.75 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.05 -21.49 66.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.315 1.046 . . . . 0.0 111.325 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.09 159.86 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.226 1.01 . . . . 0.0 110.881 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.21 157.11 16.11 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.565 0.746 . . . . 0.0 112.172 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.5 123.73 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.773 167.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -152.31 159.65 43.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.234 0.614 . . . . 0.0 111.388 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -66.64 155.59 37.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.309 0.643 . . . . 0.0 110.353 167.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -55.88 -41.33 74.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -167.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -67.97 -22.42 65.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.4 -41.74 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 123.987 0.915 . . . . 0.0 110.894 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -48.05 -36.05 12.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.904 1.281 . . . . 0.0 112.78 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -60.2 -28.36 67.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.496 1.119 . . . . 0.0 112.962 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.37 -35.64 65.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.342 1.057 . . . . 0.0 111.118 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.65 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.454 -0.244 0 C-N-CA 127.29 2.236 . . . . 0.0 109.326 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -113.84 120.94 42.47 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.173 0.589 . . . . 0.0 110.157 -169.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.69 139.18 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.067 0.947 . . . . 0.0 109.82 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -133.69 165.01 25.94 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.804 1.641 . . . . 0.0 110.578 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.0 97.04 4.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 167.357 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.41 ' HE ' ' CD ' ' E' ' 10' ' ' GLU . 0.1 OUTLIER -107.67 129.83 54.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.099 1.36 . . . . 0.0 110.049 -168.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . 0.264 15.2 ptpt -98.68 146.94 25.35 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 123.516 1.627 . . . . 0.0 114.212 176.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 8' ' ' VAL . . . . . 0.5 HG13 ' HA2' ' E' ' 24' ' ' GLY . 27.5 t -34.91 118.03 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 110.317 -3.128 . . . . 0.0 110.227 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.22 -17.03 44.81 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.356 -0.691 . . . . 0.0 113.922 -178.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 10' ' ' GLU . . . . . 0.41 ' CD ' ' HE ' ' E' ' 6' ' ' ARG . 50.0 mt-10 -86.59 171.09 11.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.647 1.223 . . . . 0.0 111.879 172.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -133.13 155.48 49.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.943 0.897 . . . . 0.0 111.804 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -125.38 160.85 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 126.647 1.979 . . . . 0.0 108.167 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -134.86 150.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.649 -0.657 . . . . 0.0 111.732 173.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -134.38 137.68 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.442 1.097 . . . . 0.0 109.182 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.42 -137.42 50.03 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.71 8.83 9.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.985 0.914 . . . . 0.0 111.931 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -138.73 -9.14 1.4 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -115.56 135.27 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.925 0.784 . . . . 0.0 110.508 -172.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -126.08 148.32 49.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.984 1.314 . . . . 0.0 109.198 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.79 150.12 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.83 0.852 . . . . 0.0 109.334 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.44 132.21 31.0 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.894 0.878 . . . . 0.0 111.013 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.46 100.77 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 169.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 mt -73.08 -24.13 60.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.691 -0.631 . . . . 0.0 112.087 -171.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 24' ' ' GLY . . . . . 0.5 ' HA2' HG13 ' E' ' 8' ' ' VAL . . . 158.18 168.47 20.5 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 118.577 0.626 . . . . 0.0 113.089 -170.056 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -114.52 156.63 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.285 0.634 . . . . 0.0 111.2 168.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -143.75 89.83 2.09 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.672 1.189 . . . . 0.0 108.107 168.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.48 -128.63 43.96 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.352 -171.311 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -75.84 -19.33 58.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.48 0.64 . . . . 0.0 112.177 173.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.06 147.03 36.92 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.639 0.733 . . . . 0.0 110.031 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.17 121.76 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm105 -89.43 120.91 31.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.21 139.03 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.54 1.136 . . . . 0.0 110.302 -167.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 138.85 15.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.417 1.008 . . . . 0.0 110.869 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 19.5 mt -132.49 135.35 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -138.24 101.16 4.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.694 -0.629 . . . . 0.0 111.22 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.77 156.26 79.59 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 124.716 1.206 . . . . 0.0 110.537 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.08 158.03 36.5 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.842 2.361 . . . . 0.0 111.885 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -68.41 -0.86 5.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.401 0.68 . . . . 0.0 112.704 169.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.98 -22.98 67.09 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.75 1.22 . . . . 0.0 111.333 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.9 154.98 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.412 1.085 . . . . 0.0 110.582 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 157.8 19.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.653 0.381 . . . . 0.0 111.467 172.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.05 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.042 -0.411 . . . . 0.0 110.968 169.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.76 170.03 20.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.208 1.003 . . . . 0.0 111.159 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -66.99 154.6 40.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.41 -23.59 64.49 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.107 -0.37 . . . . 0.0 111.783 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.49 -48.79 73.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.578 1.151 . . . . 0.0 111.347 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.53 -31.14 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.575 0.75 . . . . 0.0 109.89 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -54.62 -37.44 65.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.704 0.801 . . . . 0.0 112.379 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -69.99 -22.15 63.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.84 -26.67 64.33 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.497 0.589 . . . . 0.0 110.316 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 92.7 mt -94.23 -39.3 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 110.891 -169.475 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.381 177.772 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.006 -0.045 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -101.05 148.48 25.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.511 0.724 . . . . 0.0 111.288 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.6 137.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.549 0.739 . . . . 0.0 109.452 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.1 162.82 31.4 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 110.181 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.58 97.0 4.4 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 169.03 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.56 137.65 43.04 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.488 1.515 . . . . 0.0 112.227 -169.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -85.93 157.12 20.23 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 112.104 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.61 138.24 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.148 0.499 . . . . 0.0 111.863 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.14 -5.18 84.53 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.069 0.842 . . . . 0.0 114.11 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.807 1.303 . . . . 0.0 112.368 176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -133.45 157.22 46.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.746 0.818 . . . . 0.0 112.573 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -135.3 157.14 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 126.987 2.115 . . . . 0.0 107.341 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -131.6 150.25 52.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.385 -0.822 . . . . 0.0 112.136 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -134.99 138.79 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.628 1.171 . . . . 0.0 109.033 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.18 -135.31 51.95 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -127.69 10.07 6.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.211 1.004 . . . . 0.0 112.367 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -127.85 -18.11 4.32 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.5 136.18 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 119.039 0.836 . . . . 0.0 110.769 -171.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -126.85 143.22 51.33 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.525 1.13 . . . . 0.0 110.021 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -121.85 143.21 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.782 1.633 . . . . 0.0 107.985 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -136.3 130.41 32.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.081 0.552 . . . . 0.0 109.951 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -85.17 112.54 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -86.17 -26.14 25.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.319 0.648 . . . . 0.0 111.354 -172.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.31 -172.56 33.53 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 117.89 0.314 . . . . 0.0 113.842 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.46 156.0 40.52 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.315 1.446 . . . . 0.0 108.656 168.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -118.81 9.03 Favored Glycine 0 CA--C 1.526 0.76 0 O-C-N 121.68 -0.637 . . . . 0.0 111.769 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -88.17 -22.35 24.09 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 117.724 0.762 . . . . 0.0 110.524 175.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -69.62 126.61 30.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.278 0.49 . . . . 0.0 109.782 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.57 117.11 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -84.44 127.75 34.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.62 141.83 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 124.03 0.932 . . . . 0.0 110.138 -168.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.48 143.64 17.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 124.26 0.934 . . . . 0.0 111.454 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.35 134.02 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.382 1.073 . . . . 0.0 109.828 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -127.16 103.46 7.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.665 1.186 . . . . 0.0 109.28 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.49 158.84 72.55 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 123.663 0.785 . . . . 0.0 111.442 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -63.87 162.42 28.88 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.845 2.363 . . . . 0.0 112.357 174.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.12 -5.49 27.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.584 0.754 . . . . 0.0 112.56 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.9 -19.4 64.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.87 1.268 . . . . 0.0 112.583 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.17 166.92 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.711 0.804 . . . . 0.0 111.768 -175.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.33 167.45 9.91 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.398 1.079 . . . . 0.0 111.438 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.06 124.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.393 0.677 . . . . 0.0 110.677 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -153.45 -178.44 7.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.174 0.99 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -76.39 155.65 33.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -58.49 -29.02 65.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.373 0.669 . . . . 0.0 112.224 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -58.14 -46.11 86.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.865 0.866 . . . . 0.0 111.284 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.53 -31.23 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 123.686 0.794 . . . . 0.0 109.636 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 48' ' ' TYR . . . . . 0.526 ' HA ' HG12 ' F' ' 51' ' ' ILE . 74.9 t80 -53.21 -33.97 55.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.225 1.01 . . . . 0.0 112.99 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.48 -22.02 65.49 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.446 0.698 . . . . 0.0 112.186 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.03 -23.0 26.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.7 0.8 . . . . 0.0 110.925 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' F' ' 48' ' ' TYR . 6.2 mm . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.761 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.18 112.56 25.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.652 0.781 . . . . 0.0 109.253 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.23 134.79 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.837 0.855 . . . . 0.0 110.116 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -131.19 159.2 38.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.222 1.009 . . . . 0.0 109.906 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -124.56 113.48 18.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.219 1.008 . . . . 0.0 108.643 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HG2' HD11 ' B' ' 32' ' ' ILE . 0.9 OUTLIER -131.32 139.96 49.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.401 0.68 . . . . 0.0 110.803 -167.781 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.0 162.3 13.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 118.663 0.665 . . . . 0.0 110.943 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG13 ' HA2' ' A' ' 24' ' ' GLY . 71.5 t -44.37 129.63 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.77 0.828 . . . . 0.0 110.847 175.147 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.42 81.67 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.376 0.989 . . . . 0.0 114.816 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -86.6 169.05 13.09 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 119.244 1.522 . . . . 0.0 112.548 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -137.87 141.8 40.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.103 0.961 . . . . 0.0 111.949 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.7 mm -124.29 154.13 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.162 1.785 . . . . 0.0 108.02 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.44 137.43 48.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.293 1.037 . . . . 0.0 110.114 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -135.21 127.99 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.012 0.925 . . . . 0.0 109.31 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.79 -134.96 35.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -121.03 -1.12 9.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.963 0.905 . . . . 0.0 112.232 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.35 -20.15 2.7 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.99 139.22 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 118.745 0.702 . . . . 0.0 110.74 -169.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 m -137.41 140.96 41.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.289 1.036 . . . . 0.0 109.284 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 mm -124.19 124.74 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.167 0.987 . . . . 0.0 108.69 -176.092 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -118.88 136.04 54.25 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.754 0.821 . . . . 0.0 109.577 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -89.89 112.45 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.16 -22.55 36.03 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.909 -0.495 . . . . 0.0 110.045 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.15 -167.98 39.04 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 117.881 0.31 . . . . 0.0 113.665 168.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.01 161.01 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.061 0.945 . . . . 0.0 111.428 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -143.63 69.25 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.769 1.228 . . . . 0.0 109.401 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.16 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -71.08 -12.04 61.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.853 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -98.91 157.41 16.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.061 0.934 . . . . 0.0 112.222 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -138.48 124.01 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.021 1.728 . . . . 0.0 108.118 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -103.29 101.88 11.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.546 0.739 . . . . 0.0 110.45 -175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -108.55 133.62 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.523 1.529 . . . . 0.0 109.604 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.82 133.77 11.84 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 169.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.78 132.56 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.657 1.183 . . . . 0.0 108.363 175.517 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -119.02 75.06 1.01 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.631 1.172 . . . . 0.0 109.389 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.48 152.53 44.67 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.546 174.323 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.56 156.84 49.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.491 2.127 . . . . 0.0 110.621 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -67.88 -2.97 8.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.87 -30.85 71.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.867 0.867 . . . . 0.0 111.571 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -120.23 144.11 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.882 0.848 . . . . 0.0 111.891 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.08 143.08 41.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.53 1.132 . . . . 0.0 111.741 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.88 120.89 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.224 0.61 . . . . 0.0 109.428 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -148.92 171.99 15.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.371 0.669 . . . . 0.0 111.198 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.11 158.96 16.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.521 0.728 . . . . 0.0 110.948 169.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.55 -28.23 69.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -167.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -74.69 -5.29 42.35 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.207 -0.933 . . . . 0.0 113.186 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.69 -30.07 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.774 1.23 . . . . 0.0 110.871 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.84 -32.13 72.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 118.886 0.766 . . . . 0.0 110.529 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.14 -13.31 60.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.416 0.686 . . . . 0.0 112.077 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -78.66 -33.56 47.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.822 0.849 . . . . 0.0 110.887 169.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 51' ' ' ILE . 32.2 mt -64.72 -52.62 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 . . . . . 0 N--CA 1.451 -0.388 0 C-N-CA 123.544 0.738 . . . . 0.0 112.266 -174.236 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.8 tpp . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.492 -0.289 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -114.01 120.68 41.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.94 139.18 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.791 0.437 . . . . 0.0 112.078 -165.535 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.66 142.72 45.19 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.987 1.315 . . . . 0.0 110.716 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -118.34 100.98 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -126.59 157.28 39.28 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 124.052 0.941 . . . . 0.0 110.874 -169.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -92.03 168.77 11.16 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -61.3 137.53 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.487 0.66 . . . . 0.0 111.241 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.65 -1.52 81.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.104 -0.831 . . . . 0.0 114.219 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.89 159.32 20.36 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.768 1.284 . . . . 0.0 112.285 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -127.33 143.63 51.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.273 1.029 . . . . 0.0 110.891 -169.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.0 mt -137.43 151.75 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.134 1.374 . . . . 0.0 109.223 -170.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -136.1 140.58 43.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.086 0.554 . . . . 0.0 111.729 -169.352 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.46 129.83 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.829 0.851 . . . . 0.0 109.759 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.59 -137.16 50.49 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -174.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.85 5.06 7.34 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.749 0.819 . . . . 0.0 112.656 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -112.54 -20.03 11.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.7 135.38 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 119.045 0.838 . . . . 0.0 111.474 -169.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -130.97 148.22 52.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 109.802 169.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.31 141.33 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.054 1.741 . . . . 0.0 108.059 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -133.48 128.03 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.743 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.9 tp -81.91 106.1 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 169.731 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -74.4 -32.64 62.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.992 -0.442 . . . . 0.0 110.78 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 167.87 21.47 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 122.844 0.259 . . . . 0.0 112.545 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.09 147.1 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 109.804 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -123.67 78.71 1.63 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.58 -119.3 4.96 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -174.11 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.8 10.44 38.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.925 0.49 . . . . 0.0 111.043 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -98.92 155.39 17.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.199 1.0 . . . . 0.0 110.087 173.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -137.14 104.88 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.02 115.2 21.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.218 1.007 . . . . 0.0 108.637 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.743 HG22 ' HA ' ' B' ' 22' ' ' ILE . 5.0 pt -133.11 139.71 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.354 0.662 . . . . 0.0 111.106 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.37 140.54 15.04 Favored Glycine 0 C--N 1.333 0.394 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.624 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -120.87 129.2 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -129.4 79.62 1.92 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.411 -167.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.32 157.35 72.87 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-N 113.919 -1.492 . . . . 0.0 109.354 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -59.32 154.5 46.43 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 121.598 1.532 . . . . 0.0 109.893 168.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -70.0 -0.91 8.34 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.822 0.849 . . . . 0.0 111.843 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.85 -24.43 66.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.883 1.673 . . . . 0.0 111.042 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.51 144.0 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.59 1.156 . . . . 0.0 109.687 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.26 141.24 28.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.241 0.543 . . . . 0.0 111.149 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.49 99.22 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.988 -166.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.41 170.15 17.99 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 124.307 1.043 . . . . 0.0 111.228 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -76.92 161.78 28.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.191 -0.318 . . . . 0.0 111.496 169.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -52.03 -42.43 63.07 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 123.739 0.816 . . . . 0.0 112.462 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -47.99 -48.97 32.21 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.734 0.414 . . . . 0.0 110.89 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.23 -47.56 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.117 1.367 . . . . 0.0 110.135 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -49.84 -38.22 34.05 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.425 1.09 . . . . 0.0 111.73 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -68.28 -27.3 66.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -81.12 -38.12 27.76 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.244 0.929 . . . . 0.0 110.516 172.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.59 -41.63 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -79.61 4.94 14.45 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.74 -19.23 49.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.275 0.489 . . . . 0.0 111.501 168.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.39 46.11 0.08 OUTLIER Glycine 0 C--N 1.339 0.71 0 CA-C-O 119.455 -0.636 . . . . 0.0 114.267 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.06 -175.55 2.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.941 0.871 . . . . 0.0 112.724 -168.295 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -125.09 177.23 6.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.159 1.384 . . . . 0.0 109.578 167.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.76 118.91 1.09 Allowed Pre-proline 0 N--CA 1.455 -0.191 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.3 Cg_exo -63.51 169.02 10.4 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.266 1.977 . . . . 0.0 114.582 -168.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 112.583 -179.473 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.52 111.35 22.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 167.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.38 134.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.035 0.934 . . . . 0.0 109.61 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -130.36 142.92 50.5 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.815 1.246 . . . . 0.0 109.972 172.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -106.64 141.44 37.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.802 0.441 . . . . 0.0 111.124 171.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -139.1 138.74 37.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.613 0.765 . . . . 0.0 110.957 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.4 tptm -74.64 156.17 37.0 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.15 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.06 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 119.283 0.947 . . . . 0.0 112.156 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.01 -5.69 81.82 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 125.096 1.331 . . . . 0.0 114.031 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -90.0 179.38 5.97 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.949 1.374 . . . . 0.0 112.168 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -141.63 158.91 43.24 Favored 'General case' 0 C--N 1.339 0.122 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -167.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.0 mt -139.36 156.44 26.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.568 2.347 . . . . 0.0 108.439 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -131.42 146.78 52.42 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.277 1.031 . . . . 0.0 111.751 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -132.56 131.22 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.433 1.093 . . . . 0.0 108.701 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -137.79 48.4 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -169.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -122.57 6.74 9.49 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.808 0.843 . . . . 0.0 111.753 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -120.44 -11.79 9.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.845 0.858 . . . . 0.0 112.842 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.37 133.48 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.505 0.722 . . . . 0.0 110.449 -176.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.86 141.26 52.07 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.399 1.08 . . . . 0.0 109.672 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.3 mm -119.48 136.83 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.829 1.252 . . . . 0.0 108.431 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -130.04 127.14 39.32 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.741 0.416 . . . . 0.0 110.183 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -79.88 108.59 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 168.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.429 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.5 mt -84.63 -33.66 23.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -175.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.34 -173.03 43.09 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 120.236 -0.202 . . . . 0.0 113.572 168.637 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.0 152.09 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.359 0.664 . . . . 0.0 110.909 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -141.95 99.14 3.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.492 1.117 . . . . 0.0 108.343 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.56 -124.65 15.89 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -94.27 -4.44 48.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.592 1.157 . . . . 0.0 112.109 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -80.86 151.13 28.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.879 0.847 . . . . 0.0 111.081 173.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.9 112.81 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.429 ' HG2' HD12 ' C' ' 23' ' ' LEU . 13.7 ttm180 -76.19 110.5 10.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 170.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -114.48 128.16 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.614 1.166 . . . . 0.0 109.301 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.35 140.61 15.08 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.818 0.723 . . . . 0.0 111.638 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.85 121.75 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.579 1.152 . . . . 0.0 108.463 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -115.91 103.01 10.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.245 0.618 . . . . 0.0 109.666 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.18 60.38 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.295 1.038 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -63.17 152.27 80.53 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.915 2.41 . . . . 0.0 111.231 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.59 -0.97 3.16 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.201 0.6 . . . . 0.0 112.551 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.92 -22.59 66.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.908 0.883 . . . . 0.0 111.064 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.68 146.53 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.432 1.093 . . . . 0.0 110.398 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.46 154.53 19.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.68 0.392 . . . . 0.0 111.233 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.75 131.51 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.038 0 C-N-CA 123.044 0.537 . . . . 0.0 110.183 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -157.32 159.31 37.38 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -66.2 147.81 52.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -61.14 -30.58 70.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.601 0.637 . . . . 0.0 112.426 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.88 -46.6 78.24 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.83 0.852 . . . . 0.0 111.651 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.92 -31.69 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.618 0.767 . . . . 0.0 110.561 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 48' ' ' TYR . . . . . 0.41 ' HA ' HG12 ' C' ' 51' ' ' ILE . 40.6 t80 -54.07 -36.55 63.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.84 0.856 . . . . 0.0 112.219 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.68 -30.42 71.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.957 0.503 . . . . 0.0 112.029 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -71.63 -34.78 70.08 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.615 0.766 . . . . 0.0 111.813 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' C' ' 48' ' ' TYR . 6.8 mm . . . . . 0 N--CA 1.457 -0.12 0 C-N-CA 123.405 0.682 . . . . 0.0 110.394 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.498 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.1 tpp . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.7 113.81 24.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.537 1.535 . . . . 0.0 108.863 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.498 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.1 mp -104.44 137.53 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.775 1.23 . . . . 0.0 109.969 -176.743 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -132.72 167.35 20.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.242 1.417 . . . . 0.0 111.132 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.37 114.8 28.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 165.002 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.77 134.78 51.63 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.028 0.931 . . . . 0.0 110.314 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -92.37 157.12 16.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 119.102 0.864 . . . . 0.0 111.594 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.72 HG11 HG12 ' D' ' 25' ' ' VAL . 35.1 m -48.9 136.23 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.246 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.82 -6.28 79.53 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.538 1.066 . . . . 0.0 114.265 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.39 178.17 5.91 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.997 1.399 . . . . 0.0 112.523 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -136.9 161.4 36.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.075 0.95 . . . . 0.0 112.823 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -137.36 157.98 34.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.165 2.186 . . . . 0.0 108.397 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -123.37 149.83 44.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.461 0.704 . . . . 0.0 111.584 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.3 mt -134.61 129.22 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.742 1.217 . . . . 0.0 109.254 174.087 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.63 -133.69 44.41 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.04 9.46 5.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.641 0.776 . . . . 0.0 112.628 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.63 -19.51 6.83 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.48 132.03 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.827 0.739 . . . . 0.0 110.532 -171.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -121.92 145.29 48.24 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.863 0.865 . . . . 0.0 109.891 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -123.8 143.67 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.26 1.424 . . . . 0.0 108.289 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -137.25 128.12 27.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.362 0.665 . . . . 0.0 109.343 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.33 97.77 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.56 -32.81 68.52 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.058 0.543 . . . . 0.0 111.17 -169.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.06 -175.04 45.44 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-O 121.393 0.441 . . . . 0.0 113.047 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.72 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -135.35 129.57 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.445 1.098 . . . . 0.0 110.111 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -132.59 88.41 2.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.533 1.533 . . . . 0.0 108.739 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.78 -125.26 9.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 64.7 mm-40 -89.46 -11.21 43.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 117.276 0.538 . . . . 0.0 111.373 171.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.2 134.89 36.17 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.617 0.722 . . . . 0.0 110.774 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -119.13 122.15 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -95.76 107.25 19.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.963 0.905 . . . . 0.0 108.706 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.75 125.43 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.74 0.816 . . . . 0.0 109.835 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.03 136.22 13.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.17 142.62 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.855 0.862 . . . . 0.0 108.791 173.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -137.97 90.0 2.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.82 0.848 . . . . 0.0 108.903 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.47 154.74 62.88 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.706 1.202 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.41 148.94 88.8 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 121.991 1.794 . . . . 0.0 110.67 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.0 -4.79 10.56 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -68.22 -18.62 64.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.345 1.458 . . . . 0.0 112.441 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -125.61 159.58 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.863 0.865 . . . . 0.0 110.397 174.454 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.36 157.03 16.19 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.46 125.81 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.94 0.496 . . . . 0.0 109.98 168.578 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -148.56 165.63 30.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.478 0.711 . . . . 0.0 111.25 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.75 156.72 19.61 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 167.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -61.57 -31.53 71.58 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.457 0.571 . . . . 0.0 110.639 169.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -50.97 -50.34 58.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.355 1.462 . . . . 0.0 111.456 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -81.71 -40.54 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.182 0.993 . . . . 0.0 110.014 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -47.56 -39.66 17.06 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.24 1.416 . . . . 0.0 112.224 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.54 -31.42 66.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.498 1.119 . . . . 0.0 112.619 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -72.71 -34.67 67.28 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.527 0.603 . . . . 0.0 110.953 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.525 HD12 ' N ' ' D' ' 51' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.406 0.682 . . . . 0.0 109.609 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 10.1 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 142.44 51.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.708 0.803 . . . . 0.0 109.75 169.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mm -118.86 123.17 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.036 0.935 . . . . 0.0 109.16 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.59 151.65 39.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.584 1.554 . . . . 0.0 110.278 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 5' ' ' THR . . . . . 0.405 HG22 ' HG3' ' F' ' 29' ' ' GLN . 0.7 OUTLIER -132.36 118.44 19.41 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 168.568 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.432 ' HG3' HD11 ' E' ' 12' ' ' ILE . 7.0 mmp_? -133.32 162.07 32.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.279 1.032 . . . . 0.0 110.214 -171.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -122.75 164.94 17.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.388 0.675 . . . . 0.0 110.667 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.35 138.3 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 CA-C-O 120.939 0.399 . . . . 0.0 111.972 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.63 84.11 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.946 0.784 . . . . 0.0 114.443 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -91.54 170.45 9.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.842 1.321 . . . . 0.0 111.792 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.2 m -135.05 155.24 51.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -170.721 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 12' ' ' ILE . . . . . 0.432 HD11 ' HG3' ' E' ' 6' ' ' ARG . 30.0 mt -132.79 155.23 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.298 1.839 . . . . 0.0 107.876 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -139.01 145.26 39.44 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.596 -0.69 . . . . 0.0 112.189 -169.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 59.9 mt -134.49 138.1 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.528 1.131 . . . . 0.0 109.325 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.04 -133.23 50.96 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.55 9.98 7.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.465 1.106 . . . . 0.0 111.464 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.61 -9.55 1.41 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -169.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.51 135.0 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 119.023 0.829 . . . . 0.0 110.595 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 79.9 m -132.68 143.53 49.7 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.118 0.967 . . . . 0.0 110.406 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.1 mm -117.63 139.6 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.843 1.657 . . . . 0.0 107.924 173.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -135.68 124.27 23.66 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.975 0.51 . . . . 0.0 110.108 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.82 109.48 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.76 -31.11 61.68 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.189 -0.319 . . . . 0.0 110.309 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.7 179.44 29.11 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 123.432 0.539 . . . . 0.0 113.462 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 m -108.86 154.19 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.648 0.779 . . . . 0.0 112.041 -175.111 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.8 m -143.52 89.94 2.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.538 1.535 . . . . 0.0 108.499 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.22 -130.01 48.4 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -171.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -70.85 -18.13 62.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLN . . . . . 0.512 ' CG ' HG22 ' F' ' 5' ' ' THR . 12.0 tt0 -86.71 144.79 26.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.297 0.639 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 t -139.66 119.79 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -169.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -95.92 124.44 39.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.092 0.557 . . . . 0.0 109.666 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.25 130.82 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.254 0.622 . . . . 0.0 110.871 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.72 143.44 17.16 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.111 0.862 . . . . 0.0 111.549 171.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.93 124.9 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.911 1.284 . . . . 0.0 108.608 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -127.03 98.99 5.52 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.934 0.493 . . . . 0.0 109.724 -169.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.57 155.53 71.68 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.389 1.075 . . . . 0.0 110.736 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.68 159.34 37.52 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.984 2.456 . . . . 0.0 112.066 171.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -69.11 -0.84 6.4 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 123.349 0.66 . . . . 0.0 112.656 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.96 -23.0 67.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.706 1.202 . . . . 0.0 111.489 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.3 154.88 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.25 1.02 . . . . 0.0 110.568 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.47 155.79 19.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.475 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.01 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.789 0.435 . . . . 0.0 110.306 168.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -150.75 168.8 23.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.113 0.965 . . . . 0.0 110.278 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -78.6 161.32 27.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.762 -0.586 . . . . 0.0 109.968 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.55 -25.07 64.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -52.31 65.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.825 0.85 . . . . 0.0 111.806 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -75.82 -32.87 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.889 0.875 . . . . 0.0 109.838 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -55.88 -35.05 66.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.254 1.022 . . . . 0.0 112.716 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -68.19 -27.07 66.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.49 -23.0 61.72 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.691 0.796 . . . . 0.0 110.608 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -96.7 -47.4 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.945 0.898 . . . . 0.0 109.814 -170.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.03 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.92 151.03 20.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.054 0.541 . . . . 0.0 111.505 173.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.75 122.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.22 150.48 32.28 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.67 1.588 . . . . 0.0 108.759 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 5' ' ' THR . . . . . 0.512 HG22 ' CG ' ' E' ' 29' ' ' GLN . 2.8 m -130.44 102.27 6.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.917 0.326 . . . . 0.0 110.715 171.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.42 ' CZ ' HG21 ' F' ' 22' ' ' ILE . 0.0 OUTLIER -134.72 162.17 33.08 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.457 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -100.01 171.17 8.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -61.74 142.85 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.867 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.87 -1.96 84.9 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 123.746 0.689 . . . . 0.0 113.998 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -91.12 -178.97 5.32 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.323 1.049 . . . . 0.0 111.516 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -146.59 153.31 40.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.782 0.833 . . . . 0.0 111.688 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.58 151.85 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.367 1.467 . . . . 0.0 108.447 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -127.28 150.03 49.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.576 -0.703 . . . . 0.0 112.607 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.8 mt -136.03 141.9 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.559 1.144 . . . . 0.0 108.979 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.86 -136.92 49.84 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -121.35 10.08 10.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.327 1.051 . . . . 0.0 111.508 175.043 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.79 -23.8 0.77 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -169.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.38 136.39 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 119.05 0.841 . . . . 0.0 110.45 -172.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -128.24 136.82 51.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.264 1.026 . . . . 0.0 110.191 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -112.02 140.33 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.959 1.304 . . . . 0.0 108.085 169.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -134.92 135.97 41.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.774 0.829 . . . . 0.0 109.659 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 22' ' ' ILE . . . . . 0.42 HG21 ' CZ ' ' F' ' 6' ' ' ARG . 1.4 tp -96.57 116.53 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.92 -27.0 28.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.885 0.474 . . . . 0.0 110.542 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.36 -171.71 30.22 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.273 0.463 . . . . 0.0 113.118 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -125.06 159.71 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.258 0.623 . . . . 0.0 112.29 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 20.2 t -148.28 89.94 1.76 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.824 1.25 . . . . 0.0 108.842 169.369 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 -122.63 29.82 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -73.13 -15.84 61.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 29' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' E' ' 5' ' ' THR . 9.6 tt0 -86.39 141.89 28.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 110.808 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.4 113.14 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 126.764 2.026 . . . . 0.0 106.637 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.75 128.17 37.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.625 0.77 . . . . 0.0 108.952 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.29 142.2 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.995 0.918 . . . . 0.0 110.879 -166.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.3 143.11 16.39 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.498 1.046 . . . . 0.0 110.919 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -129.7 135.25 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.134 0.973 . . . . 0.0 108.996 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -134.86 109.22 8.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.602 0.761 . . . . 0.0 109.755 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.32 157.76 74.84 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 123.742 0.817 . . . . 0.0 111.625 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -66.85 162.12 39.12 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.047 2.498 . . . . 0.0 112.148 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -64.15 -16.39 61.78 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.227 1.011 . . . . 0.0 112.752 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.8 -16.74 64.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.133 1.373 . . . . 0.0 112.67 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.36 165.08 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 111.189 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.88 164.03 12.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.248 0.619 . . . . 0.0 111.734 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.07 127.85 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.655 0.782 . . . . 0.0 110.344 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.85 169.1 24.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.075 0.95 . . . . 0.0 110.98 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -87.42 165.43 15.57 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 167.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -22.52 65.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.67 -40.49 88.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.295 0.638 . . . . 0.0 111.131 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.32 -37.93 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.288 0.635 . . . . 0.0 109.303 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 48' ' ' TYR . . . . . 0.48 ' HA ' HG12 ' F' ' 51' ' ' ILE . 66.3 t80 -55.22 -35.65 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.662 0.785 . . . . 0.0 112.668 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -67.09 -22.0 65.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.428 0.691 . . . . 0.0 112.249 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -85.07 -23.01 28.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.363 0.665 . . . . 0.0 111.446 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.6 mm . . . . . 0 N--CA 1.454 -0.242 0 C-N-CA 123.627 0.771 . . . . 0.0 109.359 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.57 116.42 30.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 109.603 -176.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.4 135.27 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.717 0.807 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.7 mt -133.69 159.6 40.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.594 1.158 . . . . 0.0 109.295 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.6 m -124.99 100.99 6.84 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -106.46 136.37 46.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.301 0.64 . . . . 0.0 110.835 -172.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -94.57 156.14 16.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -61.37 129.59 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.586 -169.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.25 -6.31 53.29 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.486 1.041 . . . . 0.0 114.16 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.78 169.57 10.37 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.823 1.312 . . . . 0.0 112.086 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -138.83 149.34 44.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -168.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 32.1 mm -113.97 152.03 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 125.525 1.53 . . . . 0.0 109.885 169.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -123.43 136.08 54.43 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.751 1.221 . . . . 0.0 109.701 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.57 130.26 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.256 1.022 . . . . 0.0 109.425 -172.395 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.1 24.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -129.99 0.83 4.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.041 0.936 . . . . 0.0 111.847 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -138.81 -9.11 1.38 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -114.26 138.73 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 118.973 0.806 . . . . 0.0 110.431 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -135.36 149.94 49.82 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.513 0.725 . . . . 0.0 109.185 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 mm -130.3 139.56 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.036 1.334 . . . . 0.0 107.925 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.1 m -135.28 128.7 32.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.02 101.81 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -31.58 66.14 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.617 -0.677 . . . . 0.0 110.394 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.44 -171.6 40.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.451 0.94 . . . . 0.0 115.451 165.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.39 146.45 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.377 1.071 . . . . 0.0 111.892 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -137.57 60.92 1.62 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.297 1.439 . . . . 0.0 110.014 -176.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.63 -128.45 8.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -76.37 -15.56 59.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.309 0.555 . . . . 0.0 111.964 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 3.0 pt20 -98.79 148.6 23.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 122.411 1.101 . . . . 0.0 112.7 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.3 121.08 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.432 1.893 . . . . 0.0 109.573 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpp85 -83.57 107.32 15.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.351 . . . . 0.0 111.652 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mt -107.49 139.2 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.577 1.551 . . . . 0.0 109.229 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.59 139.75 15.45 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.081 0.848 . . . . 0.0 111.662 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.51 138.88 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.947 1.299 . . . . 0.0 108.906 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -124.62 74.97 1.37 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.229 1.412 . . . . 0.0 109.395 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.24 153.51 51.56 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.833 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.94 157.17 43.2 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.661 2.241 . . . . 0.0 110.806 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.55 -3.57 9.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.89 -31.01 71.69 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.059 0.944 . . . . 0.0 111.706 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -119.62 143.97 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-O 121.856 0.836 . . . . 0.0 111.483 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 143.04 36.94 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.848 0.859 . . . . 0.0 111.194 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -132.23 119.03 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.54 0.736 . . . . 0.0 109.35 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 72.3 m80 -151.27 154.33 36.58 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.968 0.507 . . . . 0.0 111.251 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 163.72 23.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.175 -0.328 . . . . 0.0 111.651 169.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -60.15 -34.76 74.0 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -80.24 1.59 27.84 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.449 -0.782 . . . . 0.0 112.674 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 4.8 mt -125.57 -7.95 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.052 1.341 . . . . 0.0 110.893 175.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -80.05 -39.64 29.39 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 120.379 -1.451 . . . . 0.0 110.798 170.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.48 -14.94 60.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.038 0.535 . . . . 0.0 112.225 -172.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 18.8 ptp180 -82.37 -23.4 35.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 111.697 171.542 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt -77.76 -49.38 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.399 0.68 . . . . 0.0 109.789 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 123.352 0.661 . . . . 0.0 111.526 179.407 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.631 -0.224 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.54 120.69 41.86 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.5 mt -116.71 134.0 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.236 0.614 . . . . 0.0 111.499 -165.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -138.81 148.04 43.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.077 1.351 . . . . 0.0 110.686 -169.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.9 m -111.81 120.2 41.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.82 124.49 43.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 110.434 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 36.8 ttpt -88.02 151.98 22.37 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.54 133.98 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-O 121.221 0.534 . . . . 0.0 111.742 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.34 -11.63 68.72 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.131 -0.816 . . . . 0.0 114.484 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -84.1 168.98 15.35 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.854 1.327 . . . . 0.0 111.763 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -138.61 156.78 47.16 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -168.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -129.46 148.29 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 C-N-CA 126.93 2.092 . . . . 0.0 108.956 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -121.16 146.18 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.294 1.038 . . . . 0.0 110.249 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -133.83 129.11 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.868 0.867 . . . . 0.0 110.093 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -134.86 51.38 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.33 5.06 6.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.768 0.827 . . . . 0.0 112.833 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -115.59 -17.98 11.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.99 133.27 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 119.363 0.983 . . . . 0.0 111.453 -169.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -127.24 146.89 50.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.449 1.1 . . . . 0.0 109.785 169.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -129.83 142.06 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.412 1.485 . . . . 0.0 108.367 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -138.45 130.99 29.07 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.034 0.533 . . . . 0.0 110.415 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.05 106.8 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -73.12 -34.06 65.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.95 -0.469 . . . . 0.0 110.615 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.71 171.83 27.18 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.13 147.49 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 121.196 0.522 . . . . 0.0 109.905 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -125.82 74.68 1.44 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.302 1.041 . . . . 0.0 108.613 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -122.03 5.62 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.52 8.69 42.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.15 -0.618 . . . . 0.0 111.089 172.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -98.97 158.01 15.94 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.176 0.99 . . . . 0.0 109.807 169.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 t -140.98 114.7 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.879 -170.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -83.02 116.71 22.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 109.843 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.45 131.24 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.423 1.089 . . . . 0.0 109.628 -171.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.49 138.17 13.77 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 111.564 -0.615 . . . . 0.0 111.564 172.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -123.12 132.83 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.923 0.889 . . . . 0.0 109.293 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -133.04 79.2 1.83 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.186 -168.497 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.96 157.61 68.68 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.942 -1.481 . . . . 0.0 109.584 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.37 157.66 34.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.088 1.859 . . . . 0.0 111.67 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -68.99 -0.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.194 0.998 . . . . 0.0 112.2 168.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.85 -25.1 67.04 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.121 1.369 . . . . 0.0 111.306 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -114.36 144.07 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.58 1.152 . . . . 0.0 110.298 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.55 143.05 27.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.297 0.57 . . . . 0.0 111.344 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.24 97.49 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.313 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.61 163.46 33.86 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.923 0.889 . . . . 0.0 111.275 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.8 ptt-85 -66.26 158.01 30.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.325 -0.234 . . . . 0.0 110.909 169.264 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -54.37 -37.4 64.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.39 0.676 . . . . 0.0 112.394 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.46 -46.52 48.08 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.196 0.453 . . . . 0.0 111.182 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.91 -47.14 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 125.338 1.455 . . . . 0.0 110.035 -172.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -50.1 -36.94 31.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.248 1.019 . . . . 0.0 111.793 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.96 -23.84 64.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -83.92 -38.14 21.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 119.23 0.923 . . . . 0.0 110.913 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.57 -41.23 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -79.4 5.06 13.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.2 -19.14 47.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.946 0.498 . . . . 0.0 111.456 168.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.93 45.88 0.08 OUTLIER Glycine 0 C--N 1.339 0.697 0 CA-C-O 119.45 -0.639 . . . . 0.0 114.482 168.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.97 -175.98 2.5 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.926 0.863 . . . . 0.0 112.993 -168.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -125.79 177.49 6.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.588 1.555 . . . . 0.0 109.191 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.5 119.14 1.06 Allowed Pre-proline 0 CA--C 1.53 0.21 0 C-N-CA 124.833 1.253 . . . . 0.0 112.176 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 50.6 Cg_exo -71.35 -179.35 3.54 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.649 1.566 . . . . 0.0 114.419 -169.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.557 -176.197 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.426 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.26 102.8 9.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 166.389 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.9 133.22 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 123.646 0.779 . . . . 0.0 109.437 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -129.97 139.14 51.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.415 1.086 . . . . 0.0 109.555 169.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -101.22 146.25 27.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.265 0.555 . . . . 0.0 110.603 169.142 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -138.17 143.79 40.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.333 0.653 . . . . 0.0 109.97 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 0.5 OUTLIER -80.89 154.75 26.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 167.615 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.26 134.14 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 O-C-N 121.512 -0.742 . . . . 0.0 111.431 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -4.79 77.3 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.529 1.062 . . . . 0.0 114.173 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -88.05 175.89 7.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.212 1.506 . . . . 0.0 112.073 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -137.83 158.26 44.72 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -167.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mt -139.33 156.35 26.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.624 2.37 . . . . 0.0 108.801 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -129.5 146.15 51.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.854 1.262 . . . . 0.0 111.377 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -135.16 138.02 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.467 1.107 . . . . 0.0 109.893 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.83 -132.5 51.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -130.0 10.04 5.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.808 0.843 . . . . 0.0 110.976 169.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.6 -10.73 3.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.483 1.113 . . . . 0.0 112.654 -170.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.72 134.49 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.484 0.713 . . . . 0.0 110.398 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.8 m -125.08 144.56 50.35 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.777 0.831 . . . . 0.0 109.722 174.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -126.22 140.45 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 108.524 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -136.67 131.73 34.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.946 -0.471 . . . . 0.0 110.639 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.35 110.43 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.77 -34.19 21.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.53 -171.02 41.99 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 121.965 -0.159 . . . . 0.0 113.307 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 m -120.38 152.84 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.319 0.648 . . . . 0.0 110.933 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -134.11 80.54 1.87 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.889 1.275 . . . . 0.0 108.184 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 -113.84 4.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.061 -1.215 . . . . 0.0 110.061 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.84 -5.74 37.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.978 0.911 . . . . 0.0 112.388 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.14 154.83 26.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.914 0.486 . . . . 0.0 110.129 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -129.53 120.79 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -81.81 114.96 20.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mt -120.25 128.61 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.315 1.446 . . . . 0.0 108.972 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.26 139.64 14.5 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.334 0.969 . . . . 0.0 111.906 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.5 mt -126.82 120.07 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.469 1.108 . . . . 0.0 108.952 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -114.03 102.48 10.22 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.535 0.734 . . . . 0.0 109.703 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.21 155.04 72.62 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.958 0.903 . . . . 0.0 110.395 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.73 153.16 79.11 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.942 2.428 . . . . 0.0 111.24 172.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.75 -0.85 3.23 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.07 -23.26 66.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.302 1.041 . . . . 0.0 111.211 169.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.51 149.58 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.259 1.023 . . . . 0.0 110.712 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 153.11 21.96 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.72 0.408 . . . . 0.0 111.243 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.37 132.1 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.64 154.63 33.28 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.014 0.526 . . . . 0.0 111.517 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -72.2 165.15 24.98 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 166.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -64.17 -30.99 72.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -169.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -47.52 84.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.907 0.883 . . . . 0.0 111.689 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -86.31 -31.53 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.014 0.526 . . . . 0.0 110.521 -172.569 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -51.66 -37.47 50.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.785 0.834 . . . . 0.0 112.324 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.95 -30.55 67.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.704 0.801 . . . . 0.0 112.572 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -69.2 -37.15 77.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.689 0.796 . . . . 0.0 111.751 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.413 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.011 0.524 . . . . 0.0 110.155 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.523 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.4 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.0 110.34 20.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.55 1.14 . . . . 0.0 109.465 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -103.46 141.04 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.073 1.349 . . . . 0.0 110.072 -176.547 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt -139.2 165.17 27.88 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 125.037 1.335 . . . . 0.0 111.814 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.06 113.79 24.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.008 0.923 . . . . 0.0 108.778 165.481 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -117.88 143.81 45.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.114 0.565 . . . . 0.0 109.979 169.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.32 163.5 21.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.27 0.557 . . . . 0.0 110.792 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -52.21 135.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.826 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.51 78.72 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.299 0.952 . . . . 0.0 114.285 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -103.51 174.93 5.65 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.896 1.348 . . . . 0.0 112.237 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -133.16 157.63 44.86 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -140.72 162.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 C-N-CA 126.549 1.94 . . . . 0.0 108.597 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -138.66 147.84 43.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.46 1.104 . . . . 0.0 112.039 -172.157 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.5 137.23 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.785 1.234 . . . . 0.0 109.118 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.98 51.32 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -124.33 7.95 8.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 111.811 172.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -133.24 -8.88 2.96 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.64 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.875 0.761 . . . . 0.0 110.625 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 73.9 m -132.16 144.86 50.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.323 1.049 . . . . 0.0 110.001 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -123.88 140.25 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.412 1.485 . . . . 0.0 108.303 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -132.75 123.77 26.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.19 108.12 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -78.55 -33.16 48.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.247 0.619 . . . . 0.0 110.527 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.82 -175.95 41.35 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 112.774 -0.13 . . . . 0.0 112.774 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.96 160.27 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.994 0.517 . . . . 0.0 110.649 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -144.0 78.03 1.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.75 0.82 . . . . 0.0 108.91 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 -114.86 3.97 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.429 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 71.6 mt-30 -90.58 -9.42 47.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.537 0.735 . . . . 0.0 110.761 173.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.68 150.85 42.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.652 0.739 . . . . 0.0 111.466 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.48 112.11 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -91.98 111.48 23.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.509 1.124 . . . . 0.0 108.555 -175.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -120.35 123.95 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.637 0.775 . . . . 0.0 110.275 -169.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.21 136.17 13.74 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' C' ' 1' ' ' MET . 65.3 mt -126.51 139.5 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -138.08 100.5 4.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -171.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.05 155.49 80.05 Favored Pre-proline 0 N--CA 1.451 -0.408 0 C-N-CA 124.402 1.081 . . . . 0.0 109.733 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.3 151.34 83.0 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.308 2.005 . . . . 0.0 110.87 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.13 -2.14 7.36 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -22.47 66.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.631 1.172 . . . . 0.0 111.407 168.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.62 159.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.293 1.037 . . . . 0.0 110.789 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.4 157.12 16.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 112.274 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.17 127.02 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 O-C-N 121.682 -0.636 . . . . 0.0 110.615 168.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -151.06 167.48 27.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.989 0.916 . . . . 0.0 111.243 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -65.11 156.28 32.13 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.56 -34.95 74.91 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-N 119.305 0.957 . . . . 0.0 111.565 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -55.73 -34.12 64.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.482 0.713 . . . . 0.0 112.27 173.442 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 38.4 mm -94.73 -38.2 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.061 1.344 . . . . 0.0 110.337 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.58 -43.21 75.76 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.76 0.424 . . . . 0.0 110.103 169.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.25 -22.23 64.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -75.85 -40.1 55.37 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.857 0.863 . . . . 0.0 110.996 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 178.94 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpt . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 118.523 2.786 . . . . 0.0 118.523 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 137.57 34.68 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.801 2.041 . . . . 0.0 107.093 163.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.53 129.89 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.483 0.713 . . . . 0.0 109.603 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.7 159.14 25.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.269 1.828 . . . . 0.0 110.276 -174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -143.57 110.33 5.58 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 167.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.423 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.1 mmp_? -133.57 141.06 47.52 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.202 1.001 . . . . 0.0 110.279 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 7' ' ' LYS . . . . . 0.409 ' HE3' ' OE1' ' F' ' 29' ' ' GLN . 9.5 ptpp? -94.52 167.46 11.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -56.79 136.36 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.225 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.51 -5.51 83.8 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.124 -0.82 . . . . 0.0 114.307 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -89.88 170.52 10.32 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.88 1.34 . . . . 0.0 111.71 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -137.75 162.88 32.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.591 0.71 . . . . 0.0 112.781 -169.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 12' ' ' ILE . . . . . 0.423 HD11 ' HG3' ' E' ' 6' ' ' ARG . 28.5 mt -151.92 156.68 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.807 2.043 . . . . 0.0 108.285 -168.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -141.18 152.97 45.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 32.6 mt -137.4 137.54 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.908 1.283 . . . . 0.0 108.883 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.46 -137.61 48.8 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.796 -0.521 . . . . 0.0 111.796 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -124.68 10.04 8.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.334 1.054 . . . . 0.0 111.473 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -138.56 -8.0 1.47 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.54 136.21 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.911 0.778 . . . . 0.0 110.726 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.8 m -130.29 143.84 51.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.472 1.109 . . . . 0.0 110.151 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -125.95 138.22 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.275 1.43 . . . . 0.0 108.328 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 78.4 m -135.16 129.47 33.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.05 0.54 . . . . 0.0 109.873 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.1 111.13 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.92 -32.39 51.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.023 0.529 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.05 -171.3 35.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 123.592 0.615 . . . . 0.0 113.399 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 m -123.05 159.68 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 123.873 0.869 . . . . 0.0 112.111 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -147.14 89.84 1.84 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.132 1.373 . . . . 0.0 109.012 169.408 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.19 -113.32 4.85 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -91.4 -20.52 21.71 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.466 0.633 . . . . 0.0 111.786 175.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -71.67 136.3 47.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.552 0.741 . . . . 0.0 109.534 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.63 117.98 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -95.04 107.63 19.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.416 1.486 . . . . 0.0 107.372 -171.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.9 135.98 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.847 0.859 . . . . 0.0 110.959 -167.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.86 142.17 15.81 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.227 0.918 . . . . 0.0 111.689 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -132.4 132.57 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.565 1.546 . . . . 0.0 108.626 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -134.67 101.47 4.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.44 155.25 77.17 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.682 1.193 . . . . 0.0 110.515 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 157.03 45.35 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.87 2.38 . . . . 0.0 112.149 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.11 -0.93 10.73 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.91 -23.32 66.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.453 1.101 . . . . 0.0 111.702 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.01 157.63 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 110.527 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.49 157.93 16.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.871 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 42' ' ' VAL . . . . . 0.429 HG13 HD12 ' F' ' 2' ' ' LEU . 0.4 OUTLIER -155.03 127.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.99 0.516 . . . . 0.0 110.345 169.529 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -150.11 169.38 21.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.63 1.172 . . . . 0.0 109.258 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 44' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 27.0 ptt-85 -81.59 165.8 20.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.654 -0.654 . . . . 0.0 110.731 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.39 -28.21 69.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -169.772 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.44 -45.07 89.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.332 1.053 . . . . 0.0 111.94 173.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.58 -34.61 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 123.73 0.812 . . . . 0.0 109.768 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -53.21 -30.96 40.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.305 1.042 . . . . 0.0 112.867 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -59.72 -21.83 61.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.992 1.317 . . . . 0.0 113.089 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.03 -52.58 9.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.367 0.667 . . . . 0.0 111.643 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.49 -63.02 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 127.367 2.267 . . . . 0.0 113.719 -168.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.097 0.959 . . . . 0.0 113.206 -170.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 2' ' ' LEU . . . . . 0.429 HD12 HG13 ' E' ' 42' ' ' VAL . 7.1 mt -96.77 150.38 20.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.775 0.43 . . . . 0.0 111.4 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -130.25 137.98 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -131.79 159.94 37.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.526 1.13 . . . . 0.0 110.261 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.79 96.96 5.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -106.54 131.6 53.52 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.952 1.701 . . . . 0.0 109.428 -174.065 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -98.21 167.77 10.66 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 120.364 1.438 . . . . 0.0 113.072 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -55.99 135.79 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.987 -171.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.64 77.26 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.305 0.955 . . . . 0.0 113.764 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -95.54 174.64 6.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.477 1.138 . . . . 0.0 111.948 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -136.33 159.57 41.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 61.1 mt -137.73 157.48 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.416 1.886 . . . . 0.0 108.536 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -133.21 148.15 52.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 112.311 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.83 139.56 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.347 1.059 . . . . 0.0 109.062 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.14 -134.73 52.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -128.26 10.08 6.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.135 0.974 . . . . 0.0 112.366 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.32 -15.76 4.06 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -106.85 136.34 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.089 0.859 . . . . 0.0 110.746 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -132.49 141.48 48.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.449 1.1 . . . . 0.0 110.09 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -122.29 143.05 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.404 1.482 . . . . 0.0 108.376 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -136.38 129.8 31.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.244 0.617 . . . . 0.0 110.05 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 22' ' ' ILE . . . . . 0.41 HG22 ' H ' ' F' ' 22' ' ' ILE . 1.7 tp -85.87 107.52 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.18 -29.23 42.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.801 -0.562 . . . . 0.0 111.418 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.8 35.72 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 123.0 0.334 . . . . 0.0 113.431 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.2 156.28 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 123.279 0.632 . . . . 0.0 111.679 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -150.07 106.72 3.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.379 1.072 . . . . 0.0 108.766 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.5 -117.7 7.92 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -96.31 -13.81 23.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 117.294 0.547 . . . . 0.0 111.51 171.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 29' ' ' GLN . . . . . 0.409 ' OE1' ' HE3' ' E' ' 7' ' ' LYS . 3.5 mp0 -76.54 144.89 39.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.762 0.792 . . . . 0.0 109.869 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.7 t -131.14 115.65 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -87.08 130.12 34.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.861 0.864 . . . . 0.0 108.943 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -135.22 143.76 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.366 0.666 . . . . 0.0 110.787 -167.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.4 137.16 13.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -125.39 134.85 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.259 1.024 . . . . 0.0 108.77 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -136.58 102.62 4.98 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.023 0.529 . . . . 0.0 110.098 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.47 159.24 73.34 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.102 0.961 . . . . 0.0 111.157 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.81 162.76 27.34 Favored 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 122.855 2.37 . . . . 0.0 112.106 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.43 -7.52 19.95 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.755 0.822 . . . . 0.0 112.783 169.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.9 -22.06 66.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.565 1.546 . . . . 0.0 112.342 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -128.01 161.78 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.046 0.938 . . . . 0.0 111.125 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 163.67 13.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.132 0.573 . . . . 0.0 111.485 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.0 120.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.52 0.728 . . . . 0.0 110.113 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -153.61 173.99 15.05 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.905 0.882 . . . . 0.0 110.441 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 159.68 28.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.63 -20.91 66.49 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -169.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.64 -43.37 84.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.693 0.797 . . . . 0.0 111.717 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mm -86.63 -30.8 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 123.547 0.739 . . . . 0.0 109.638 -174.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 48' ' ' TYR . . . . . 0.503 ' HA ' HG12 ' F' ' 51' ' ' ILE . 73.6 t80 -53.63 -34.81 59.81 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.842 0.857 . . . . 0.0 112.814 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.75 -21.88 66.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.545 0.738 . . . . 0.0 112.403 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.75 -25.13 28.48 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.329 0.652 . . . . 0.0 111.045 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' F' ' 48' ' ' TYR . 4.7 mm . . . . . 0 N--CA 1.455 -0.194 0 C-N-CA 123.617 0.767 . . . . 0.0 109.556 171.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.73 115.68 30.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.811 . . . . 0.0 110.061 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.64 134.92 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.601 0.76 . . . . 0.0 109.771 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.8 mt -134.99 158.75 43.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.841 1.256 . . . . 0.0 110.034 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.8 m -127.98 119.27 25.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.681 0.792 . . . . 0.0 110.258 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -131.22 138.45 49.37 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.701 0.682 . . . . 0.0 111.459 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.2 159.43 20.11 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 118.791 0.723 . . . . 0.0 110.106 168.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.428 HG13 ' HA2' ' A' ' 24' ' ' GLY . 67.5 t -41.07 128.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.561 0.745 . . . . 0.0 110.916 169.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.63 -5.0 61.99 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.162 0.887 . . . . 0.0 114.543 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -96.63 167.4 11.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.885 1.342 . . . . 0.0 111.89 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -136.85 147.28 46.43 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 25.5 mm -112.09 154.39 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 125.434 1.494 . . . . 0.0 110.057 169.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -125.48 133.41 52.41 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.365 1.066 . . . . 0.0 110.438 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 mm -121.96 126.51 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.877 1.271 . . . . 0.0 109.413 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.86 -126.9 30.04 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.95 -0.24 5.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.874 0.87 . . . . 0.0 112.176 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -133.68 -17.52 2.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -169.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -110.89 133.83 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.135 0.88 . . . . 0.0 110.453 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -128.14 144.38 51.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.729 0.812 . . . . 0.0 109.713 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.82 139.57 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.864 1.266 . . . . 0.0 108.399 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -135.51 132.15 36.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 110.389 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -80.75 95.6 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.02 -31.48 71.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.97 -170.14 43.0 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 123.153 0.406 . . . . 0.0 112.721 169.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.38 159.27 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.513 0.725 . . . . 0.0 111.666 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -137.97 72.62 1.42 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.726 1.21 . . . . 0.0 109.369 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -118.08 7.82 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -79.77 -2.77 44.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 111.979 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -98.92 154.64 17.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.913 0.863 . . . . 0.0 111.858 170.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.96 117.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.045 1.738 . . . . 0.0 108.264 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -105.32 101.9 11.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 110.542 -170.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.6 mt -107.37 134.42 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.059 1.344 . . . . 0.0 109.655 -171.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.52 137.72 13.75 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -110.06 133.34 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 125.186 1.394 . . . . 0.0 108.251 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -119.55 75.49 1.07 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.736 1.214 . . . . 0.0 109.184 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.46 153.23 44.25 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.321 1.448 . . . . 0.0 110.559 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.79 153.32 58.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.428 2.086 . . . . 0.0 110.515 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -66.85 -6.85 17.9 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -67.72 -25.73 65.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 112.229 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.4 144.02 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.847 0.832 . . . . 0.0 111.88 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.56 143.07 40.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.406 1.082 . . . . 0.0 111.407 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -129.27 121.04 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.513 0.725 . . . . 0.0 109.606 170.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -149.49 169.23 21.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.666 0.786 . . . . 0.0 111.151 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -104.19 164.38 11.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.401 0.281 . . . . 0.0 111.634 169.124 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -23.98 66.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.6 -23.95 66.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.914 0.886 . . . . 0.0 112.014 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -119.31 -28.94 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.629 1.172 . . . . 0.0 110.833 -169.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.35 -33.1 74.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.385 -0.822 . . . . 0.0 110.441 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -75.05 -15.82 60.61 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.496 0.718 . . . . 0.0 111.657 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -39.22 36.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.024 0.93 . . . . 0.0 110.731 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.714 0.806 . . . . 0.0 109.34 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -175.466 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.6 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.416 -0.325 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.77 121.64 45.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.19 138.97 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.639 0.375 . . . . 0.0 111.875 -165.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -135.55 126.61 27.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.37 1.068 . . . . 0.0 110.688 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.4 m -87.38 102.09 14.19 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.113 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.9 167.44 11.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.201 1.401 . . . . 0.0 109.609 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -132.08 162.38 30.95 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.513 0.597 . . . . 0.0 110.954 167.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -62.84 129.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.035 -169.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -5.0 71.21 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 118.985 -0.897 . . . . 0.0 114.763 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.01 169.48 13.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -135.81 157.41 46.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.322 0.649 . . . . 0.0 112.215 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.2 mt -129.0 153.71 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.157 1.783 . . . . 0.0 109.612 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -134.1 135.71 43.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.859 0.864 . . . . 0.0 110.393 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.1 mt -131.61 128.96 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.853 0.861 . . . . 0.0 109.703 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -133.31 52.74 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -172.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -129.23 4.98 5.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.646 0.778 . . . . 0.0 112.866 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -111.29 -19.09 12.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.04 135.68 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 119.067 0.849 . . . . 0.0 111.269 -169.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.41 148.77 52.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.726 1.21 . . . . 0.0 109.569 169.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -128.69 144.89 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.82 1.648 . . . . 0.0 107.87 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -135.5 128.85 32.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.825 0.45 . . . . 0.0 109.979 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -86.19 94.55 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -67.23 -32.6 73.74 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.09 -0.381 . . . . 0.0 111.268 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.95 -179.06 36.66 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-O 120.811 0.117 . . . . 0.0 112.897 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.79 151.94 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.484 0.659 . . . . 0.0 110.732 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -130.06 71.84 1.46 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.468 1.507 . . . . 0.0 107.657 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.88 -119.81 5.16 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -170.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.1 11.76 38.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 122.098 -0.648 . . . . 0.0 111.502 173.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.96 153.68 18.65 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.827 1.251 . . . . 0.0 108.959 169.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 t -137.79 119.06 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.043 0.537 . . . . 0.0 109.927 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.88 120.31 30.17 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 125.008 1.323 . . . . 0.0 109.69 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.17 129.61 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.243 1.017 . . . . 0.0 109.671 -170.089 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.26 15.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 56.7 mt -125.39 130.45 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.841 0.856 . . . . 0.0 109.259 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -130.27 77.68 1.8 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.618 -1.173 . . . . 0.0 109.39 -168.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.99 158.28 66.49 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.726 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.38 155.42 62.29 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.919 1.746 . . . . 0.0 110.832 168.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -68.5 -0.59 5.21 Favored 'General case' 0 C--N 1.334 -0.077 0 C-N-CA 124.49 1.116 . . . . 0.0 113.189 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.82 -23.08 66.61 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.666 169.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.86 144.11 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.713 1.205 . . . . 0.0 109.804 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.52 143.0 27.93 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.297 0.57 . . . . 0.0 111.116 170.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 t -142.43 96.54 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.73 -166.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.91 161.61 40.38 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.381 0.672 . . . . 0.0 111.735 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 11.9 ptt180 -65.07 157.15 29.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.548 0.739 . . . . 0.0 111.395 169.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -56.58 -40.93 76.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.334 0.654 . . . . 0.0 112.396 -173.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -69.11 -4.36 17.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mm -104.02 -50.65 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.019 0.928 . . . . 0.0 109.925 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -50.26 -37.1 34.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.873 1.269 . . . . 0.0 112.107 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -69.86 -22.24 63.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -78.2 -41.5 34.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.034 0.834 . . . . 0.0 110.375 169.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' B' ' 55' ' ' LEU . 98.6 mt -64.9 -38.67 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.334 0.654 . . . . 0.0 109.403 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -80.7 5.0 16.95 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.68 -19.9 37.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.335 0.654 . . . . 0.0 111.779 169.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.95 47.64 0.07 OUTLIER Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.49 -0.617 . . . . 0.0 114.446 169.072 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.3 pp -168.98 -176.57 2.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.818 0.809 . . . . 0.0 112.706 -168.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.6 p -126.9 -177.34 3.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.404 1.481 . . . . 0.0 109.537 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.99 121.48 2.41 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.276 1.031 . . . . 0.0 111.561 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -65.5 171.49 9.34 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.028 1.819 . . . . 0.0 114.621 -169.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.695 -176.314 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.88 110.75 23.15 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.79 133.14 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.458 0.703 . . . . 0.0 109.511 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.68 140.14 52.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.919 0.888 . . . . 0.0 110.181 169.23 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.2 p -107.16 132.83 52.6 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.713 0.805 . . . . 0.0 111.044 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.13 143.38 29.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.065 0.546 . . . . 0.0 111.276 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -82.8 166.22 19.2 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.857 0.863 . . . . 0.0 109.617 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.81 142.45 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 O-C-N 121.371 -0.831 . . . . 0.0 111.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.03 -2.99 82.42 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.933 1.254 . . . . 0.0 114.695 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.39 -177.76 6.84 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.527 1.664 . . . . 0.0 112.611 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.9 m -141.04 146.68 37.52 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.56 1.144 . . . . 0.0 112.472 -167.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -139.53 145.56 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 125.868 1.667 . . . . 0.0 108.902 -175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -122.52 142.72 50.29 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.835 0.854 . . . . 0.0 111.667 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -135.04 137.88 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.708 1.203 . . . . 0.0 109.415 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -132.93 49.46 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -170.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -129.63 10.04 5.56 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.696 0.798 . . . . 0.0 111.257 169.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.5 -7.82 5.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.527 1.131 . . . . 0.0 112.733 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.21 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.678 0.791 . . . . 0.0 110.471 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.4 m -129.68 136.43 49.7 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.219 1.008 . . . . 0.0 109.386 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -114.3 136.51 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.109 0.964 . . . . 0.0 108.557 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -121.51 136.8 54.93 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.122 0.969 . . . . 0.0 109.984 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -96.09 118.64 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.1 -38.55 12.69 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.99 -174.77 42.3 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.722 -0.751 . . . . 0.0 114.142 168.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -121.98 146.83 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.384 0.674 . . . . 0.0 111.145 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -143.43 111.16 5.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -142.07 29.72 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.137 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.46 3.52 39.87 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.318 1.047 . . . . 0.0 110.779 168.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.18 139.31 30.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.895 1.678 . . . . 0.0 110.347 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -130.8 113.66 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -170.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.73 111.1 15.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.695 0.679 . . . . 0.0 109.212 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -113.46 132.82 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.433 1.493 . . . . 0.0 109.146 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.51 145.09 16.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.353 0.977 . . . . 0.0 111.722 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.7 mt -128.18 121.04 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.537 1.135 . . . . 0.0 108.716 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -115.71 102.45 9.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.554 0.742 . . . . 0.0 109.619 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 155.26 63.44 Favored Pre-proline 0 N--CA 1.452 -0.371 0 C-N-CA 124.118 0.967 . . . . 0.0 109.846 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.34 154.11 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.766 2.311 . . . . 0.0 111.363 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -66.04 -0.98 2.69 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.96 -22.06 66.46 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.39 0.676 . . . . 0.0 111.439 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -123.11 146.84 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.068 0.947 . . . . 0.0 110.641 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.9 153.77 22.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.776 0.431 . . . . 0.0 110.952 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -136.65 131.73 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.109 0.564 . . . . 0.0 109.967 171.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -156.6 164.63 37.97 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -75.71 157.65 33.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 165.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.32 -32.92 70.51 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.75 -44.27 81.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.767 0.827 . . . . 0.0 111.712 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.26 -29.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.359 0.664 . . . . 0.0 110.793 -171.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -51.52 -36.32 44.26 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.601 0.76 . . . . 0.0 112.363 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.69 -29.67 69.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.503 0.721 . . . . 0.0 112.395 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.95 -38.35 76.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.207 0.603 . . . . 0.0 111.565 174.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.455 -0.218 0 O-C-N 122.106 -0.371 . . . . 0.0 110.041 179.125 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.446 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.6 tpp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -112.69 112.26 23.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.655 1.582 . . . . 0.0 109.271 170.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.446 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.8 mp -103.97 139.45 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.028 1.331 . . . . 0.0 109.495 -177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.19 154.91 34.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.839 0.856 . . . . 0.0 110.96 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -84.33 146.84 27.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.089 -0.382 . . . . 0.0 110.863 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' D' ' 6' ' ' ARG . 0.9 OUTLIER -136.93 133.6 35.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.536 0.735 . . . . 0.0 110.305 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -82.53 155.96 24.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.032 0.378 . . . . 0.0 110.545 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.597 HG11 HG12 ' D' ' 25' ' ' VAL . 27.1 m -50.52 136.99 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.614 170.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.02 -6.82 82.99 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.075 0.845 . . . . 0.0 114.311 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.62 174.48 7.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.875 1.337 . . . . 0.0 111.665 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -134.38 159.23 41.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.606 0.717 . . . . 0.0 112.831 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.6 mt -138.47 158.98 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 127.044 2.138 . . . . 0.0 108.398 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -139.03 147.84 42.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.989 0.915 . . . . 0.0 111.689 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.7 mt -136.5 134.01 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.636 1.174 . . . . 0.0 109.298 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.14 -137.46 50.31 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.78 1.03 11.0 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.708 0.803 . . . . 0.0 112.342 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -129.62 -9.46 4.54 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -171.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.5 134.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.914 0.779 . . . . 0.0 110.747 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -128.39 147.27 50.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.431 1.092 . . . . 0.0 109.91 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -130.32 142.68 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.667 1.587 . . . . 0.0 108.067 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -137.37 128.68 28.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.42 93.71 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.48 -33.74 76.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 110.742 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.58 -178.62 43.79 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 121.3 0.389 . . . . 0.0 113.386 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.597 HG12 HG11 ' D' ' 8' ' ' VAL . 10.0 p -126.36 127.72 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.202 1.401 . . . . 0.0 109.285 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -130.17 84.57 2.21 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.532 1.133 . . . . 0.0 109.038 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.73 -113.93 5.06 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -170.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -95.26 -8.25 36.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.825 0.85 . . . . 0.0 110.503 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.8 151.85 37.44 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.736 0.779 . . . . 0.0 112.065 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -128.79 115.6 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 113.632 -1.622 . . . . 0.0 107.223 169.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -94.58 111.56 23.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.911 1.284 . . . . 0.0 108.47 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.98 125.21 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 122.969 0.508 . . . . 0.0 110.83 -168.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.35 135.97 13.42 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.39 137.78 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -137.95 95.4 3.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.46 154.24 80.74 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 124.56 1.144 . . . . 0.0 109.351 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -59.95 149.75 82.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.197 1.931 . . . . 0.0 110.725 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.07 -2.9 6.11 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.98 -22.45 66.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.802 1.241 . . . . 0.0 111.677 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.08 159.78 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.226 1.01 . . . . 0.0 110.669 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.29 157.07 16.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.149 0.579 . . . . 0.0 112.27 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.51 126.79 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 121.756 -0.59 . . . . 0.0 110.29 168.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -149.31 164.38 35.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 110.576 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -75.75 157.16 33.87 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.028 -0.42 . . . . 0.0 110.414 168.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -56.84 -36.41 69.96 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.878 0.871 . . . . 0.0 112.284 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -56.36 -45.96 80.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.495 0.718 . . . . 0.0 111.526 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -78.88 -40.96 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.92 0.888 . . . . 0.0 110.221 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.65 -42.53 24.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.047 0.939 . . . . 0.0 111.948 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.35 -21.38 59.73 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.258 1.023 . . . . 0.0 113.086 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -83.35 -33.48 25.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.649 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.454 -0.259 0 C-N-CA 125.477 1.511 . . . . 0.0 108.608 169.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ptm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.62 143.18 32.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.941 1.696 . . . . 0.0 109.346 175.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.5 141.23 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.099 0.96 . . . . 0.0 110.119 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -136.62 164.26 28.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.89 1.676 . . . . 0.0 110.779 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -137.95 97.19 3.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.54 144.67 40.4 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.853 1.261 . . . . 0.0 111.805 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -84.31 161.23 20.52 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.748 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.17 139.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.77 0.319 . . . . 0.0 111.275 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -4.09 86.47 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 119.293 -0.726 . . . . 0.0 114.089 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -88.13 174.34 8.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.757 1.279 . . . . 0.0 111.908 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -139.1 157.18 46.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.521 0.677 . . . . 0.0 112.24 -173.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -140.57 158.05 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 126.73 2.012 . . . . 0.0 107.619 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.97 152.05 49.71 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.452 -0.78 . . . . 0.0 113.035 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -137.24 137.94 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.951 1.3 . . . . 0.0 109.048 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.27 -136.56 49.51 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -125.18 10.0 8.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.298 1.039 . . . . 0.0 111.483 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.32 -8.35 1.31 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -117.68 135.25 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.061 0.846 . . . . 0.0 110.762 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.7 m -127.89 143.7 51.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.584 1.154 . . . . 0.0 110.136 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -122.39 138.5 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.365 1.466 . . . . 0.0 108.25 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -133.72 126.78 31.44 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.034 0.534 . . . . 0.0 109.935 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.22 107.88 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.05 -30.48 62.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.756 0.422 . . . . 0.0 110.429 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.23 -174.34 31.2 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.545 0.593 . . . . 0.0 113.085 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 m -112.72 159.82 12.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.522 0.729 . . . . 0.0 111.927 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -146.89 89.92 1.86 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.075 1.35 . . . . 0.0 109.072 170.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.89 -111.32 4.04 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -94.5 -19.15 20.8 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.386 0.593 . . . . 0.0 111.551 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.46 146.74 50.1 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.273 0.558 . . . . 0.0 110.395 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -135.76 113.69 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -88.12 124.03 33.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.1 129.99 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.441 0.696 . . . . 0.0 110.587 -168.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.18 139.43 14.68 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 124.183 0.897 . . . . 0.0 111.255 170.157 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -131.74 127.64 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.864 1.266 . . . . 0.0 108.785 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.17 98.99 4.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 155.06 78.61 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.647 1.179 . . . . 0.0 110.701 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.44 157.95 43.41 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 122.949 2.433 . . . . 0.0 112.007 171.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -72.15 -1.0 13.37 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.435 0.694 . . . . 0.0 112.592 173.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.59 -23.0 66.13 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.665 1.186 . . . . 0.0 111.857 169.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.39 160.99 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.966 0.907 . . . . 0.0 110.838 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.01 156.11 16.45 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.234 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.03 125.69 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.024 0.53 . . . . 0.0 110.2 168.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -150.5 166.69 29.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.2 1.0 . . . . 0.0 110.165 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -79.14 162.17 25.98 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.786 -0.571 . . . . 0.0 109.959 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.15 -21.88 62.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.94 -48.84 70.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.011 0.924 . . . . 0.0 111.638 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.0 -32.42 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.384 0.673 . . . . 0.0 109.85 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -53.54 -37.82 63.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.415 0.686 . . . . 0.0 112.189 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -66.89 -22.08 65.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -74.07 -23.0 59.3 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.537 0.735 . . . . 0.0 111.31 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.29 -40.48 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 112.333 178.71 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -96.78 148.96 22.37 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.808 0.443 . . . . 0.0 111.26 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.31 124.95 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.87 155.68 28.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.693 1.597 . . . . 0.0 109.644 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.81 108.41 11.45 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 168.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 125.85 48.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.69 1.196 . . . . 0.0 110.197 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.74 165.78 12.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.571 1.078 . . . . 0.0 112.571 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.48 134.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.434 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.08 -3.33 76.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.312 0.958 . . . . 0.0 114.161 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -97.91 171.74 8.09 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.485 1.143 . . . . 0.0 111.542 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -133.37 156.85 46.91 Favored 'General case' 0 C--N 1.338 0.109 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -168.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -136.97 156.43 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.758 2.023 . . . . 0.0 108.158 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -131.97 149.11 52.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.439 -0.788 . . . . 0.0 112.293 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -136.29 141.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.51 1.124 . . . . 0.0 109.034 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.83 47.26 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -173.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -121.7 10.08 10.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.075 0.95 . . . . 0.0 112.485 173.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -132.98 -22.58 2.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.7 137.84 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.258 0.935 . . . . 0.0 110.958 -170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -126.13 141.72 51.82 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.155 0.982 . . . . 0.0 110.28 174.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.13 138.6 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.487 1.515 . . . . 0.0 108.328 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.79 128.32 32.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.124 0.57 . . . . 0.0 109.886 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.08 107.7 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.49 -28.99 37.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.311 0.644 . . . . 0.0 111.078 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.68 -172.26 35.52 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 123.289 0.471 . . . . 0.0 112.931 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.86 149.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.242 0.617 . . . . 0.0 111.346 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -138.59 89.93 2.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.87 1.268 . . . . 0.0 108.686 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.49 -125.8 34.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 -171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.13 -17.87 54.26 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.96 143.59 37.49 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.42 0.629 . . . . 0.0 110.265 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.63 120.98 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 ttm105 -90.77 124.16 34.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.935 0.894 . . . . 0.0 108.93 -173.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.26 139.59 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.448 0.699 . . . . 0.0 110.333 -167.663 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.72 140.59 16.44 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.138 0.875 . . . . 0.0 111.013 173.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.76 135.36 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.107 0.963 . . . . 0.0 109.552 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -129.01 104.35 7.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.028 0.931 . . . . 0.0 109.286 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.38 158.77 63.02 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 111.342 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.43 161.88 36.18 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.845 2.363 . . . . 0.0 111.882 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -62.69 -18.13 61.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.845 0.858 . . . . 0.0 112.498 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.58 -18.25 64.93 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.144 1.378 . . . . 0.0 113.094 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -128.77 161.3 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.549 0.739 . . . . 0.0 111.244 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.33 163.76 13.12 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.255 0.622 . . . . 0.0 111.783 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.04 125.04 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.496 0.719 . . . . 0.0 110.243 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.06 178.41 9.48 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.186 0.995 . . . . 0.0 110.764 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -71.77 160.95 31.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 169.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.37 -26.53 68.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.452 0.301 . . . . 0.0 111.73 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.31 -43.76 98.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.826 0.85 . . . . 0.0 111.637 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -84.7 -31.28 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.55 0.74 . . . . 0.0 109.636 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 48' ' ' TYR . . . . . 0.478 ' HA ' HG12 ' F' ' 51' ' ' ILE . 70.0 t80 -52.91 -34.51 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.917 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.59 -23.99 66.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.204 0.602 . . . . 0.0 112.327 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.19 -24.14 32.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.321 0.648 . . . . 0.0 111.023 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.0 mm . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.79 0.836 . . . . 0.0 109.241 169.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.1 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.113 -0.47 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.61 114.26 25.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.669 0.788 . . . . 0.0 109.686 -176.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.11 134.9 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.582 0.753 . . . . 0.0 109.282 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -131.68 162.22 30.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.239 1.016 . . . . 0.0 109.691 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -122.75 118.48 28.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -127.2 133.04 50.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.246 0.618 . . . . 0.0 111.366 -167.825 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 153.3 18.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.168 0.44 . . . . 0.0 110.723 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.8 t -44.71 125.23 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.321 0.649 . . . . 0.0 110.647 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 -16.56 60.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.208 0.909 . . . . 0.0 114.295 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -85.39 171.99 11.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.095 1.448 . . . . 0.0 112.053 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -142.0 160.21 40.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -169.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.479 HD11 ' HD2' ' A' ' 6' ' ' ARG . 36.0 mm -127.84 157.38 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.971 2.108 . . . . 0.0 108.454 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -129.78 141.25 50.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.803 1.241 . . . . 0.0 110.523 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt -134.94 134.86 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.294 1.038 . . . . 0.0 109.227 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.4 -131.55 35.28 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -125.2 -1.45 7.67 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.004 0.922 . . . . 0.0 112.334 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.47 -15.79 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.55 137.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 118.706 0.685 . . . . 0.0 110.622 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -134.98 141.91 46.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.113 0.965 . . . . 0.0 109.686 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -123.62 139.53 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.676 1.19 . . . . 0.0 108.572 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 m -135.62 135.43 40.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.446 0.699 . . . . 0.0 109.858 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -85.37 98.68 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -26.5 63.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.922 -0.486 . . . . 0.0 110.12 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.46 -173.86 41.91 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 118.233 0.469 . . . . 0.0 114.008 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.02 154.14 39.69 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 C-N-CA 123.765 0.826 . . . . 0.0 111.919 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 m -141.51 63.09 1.44 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.823 1.249 . . . . 0.0 109.986 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.4 -127.67 8.49 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -169.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -79.63 -11.73 59.85 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -98.74 129.43 45.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.914 1.34 . . . . 0.0 110.473 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.35 121.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.329 -167.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -90.8 101.89 14.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mt -107.56 131.21 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.653 1.181 . . . . 0.0 109.311 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.18 135.23 12.21 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.85 135.25 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.062 1.345 . . . . 0.0 108.103 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -125.41 75.04 1.43 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.336 1.054 . . . . 0.0 109.049 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.57 154.92 42.12 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.101 1.36 . . . . 0.0 111.009 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.46 153.57 55.34 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.532 2.154 . . . . 0.0 110.443 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -69.04 -3.51 13.4 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -69.55 -24.92 63.78 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.891 0.876 . . . . 0.0 111.942 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.08 144.05 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.795 0.807 . . . . 0.0 111.711 173.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 143.0 29.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.122 0.969 . . . . 0.0 110.713 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -131.8 125.26 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.707 0.403 . . . . 0.0 110.389 174.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -153.21 156.8 39.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.679 0.792 . . . . 0.0 110.228 -173.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -84.71 164.2 18.72 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 170.339 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.499 1.12 . . . . 0.0 111.667 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.14 -12.49 40.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 112.648 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.85 -26.37 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.45 1.1 . . . . 0.0 111.536 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.7 -32.28 73.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.921 0.782 . . . . 0.0 110.976 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -75.09 -14.57 60.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.085 0.554 . . . . 0.0 112.209 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.54 -30.84 52.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.739 0.816 . . . . 0.0 111.001 169.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -71.23 -54.29 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.884 0.874 . . . . 0.0 109.393 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 . . . . . 0 N--CA 1.452 -0.342 0 C-N-CA 123.719 0.807 . . . . 0.0 111.586 -174.112 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.844 -0.122 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.33 122.25 43.36 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.344 1.457 . . . . 0.0 107.62 169.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -119.69 139.43 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -164.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -143.05 141.28 31.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.795 1.238 . . . . 0.0 111.84 -171.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -91.2 127.45 36.63 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 166.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -127.07 114.94 18.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 110.165 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -82.67 149.18 27.5 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.14 131.52 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 121.131 0.491 . . . . 0.0 111.153 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.01 -8.93 65.47 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.143 -0.809 . . . . 0.0 114.807 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -85.22 168.25 14.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 1.402 . . . . 0.0 111.733 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -132.65 155.75 48.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.759 0.824 . . . . 0.0 112.434 -169.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 33.3 mt -137.02 156.77 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.72 1.608 . . . . 0.0 109.786 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -135.3 141.99 45.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.107 0.963 . . . . 0.0 111.204 -173.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 80.0 mt -134.56 127.58 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.279 1.032 . . . . 0.0 109.441 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.75 -134.24 52.42 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -174.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.92 5.01 5.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.703 0.801 . . . . 0.0 112.759 173.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -112.1 -19.72 12.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.46 136.94 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 118.967 0.803 . . . . 0.0 111.425 -169.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.5 m -131.03 148.56 52.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.956 1.302 . . . . 0.0 109.674 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -130.07 145.2 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.739 1.616 . . . . 0.0 108.393 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -137.54 133.11 34.14 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.994 0.517 . . . . 0.0 110.217 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.67 93.92 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.48 -32.62 74.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.033 -0.417 . . . . 0.0 110.997 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.1 -174.32 36.85 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 169.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -111.14 147.62 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.409 0.623 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -122.81 71.95 1.06 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.559 1.543 . . . . 0.0 108.013 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.36 -122.27 5.76 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.82 10.44 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.066 -0.667 . . . . 0.0 111.484 172.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.44 158.41 15.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.346 167.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 t -140.26 117.86 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.085 0.554 . . . . 0.0 109.775 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -87.37 121.27 29.59 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.123 0.969 . . . . 0.0 109.656 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.13 131.43 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.162 0.985 . . . . 0.0 109.8 -169.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 139.71 14.64 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -125.22 130.67 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.836 0.855 . . . . 0.0 109.103 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -131.16 80.24 1.93 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.473 -168.327 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.0 157.39 72.15 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.85 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.52 157.22 37.63 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 122.119 1.879 . . . . 0.0 111.602 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -71.11 -0.93 10.72 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.837 0.855 . . . . 0.0 112.308 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.89 -23.65 66.68 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.34 1.456 . . . . 0.0 111.887 169.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -114.26 144.13 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.331 1.052 . . . . 0.0 110.274 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.99 142.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.269 0.556 . . . . 0.0 111.711 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.74 97.42 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.673 -166.246 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.43 166.3 27.62 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 124.252 1.021 . . . . 0.0 111.944 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.73 163.57 27.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 122.877 0.471 . . . . 0.0 111.508 169.462 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.38 -46.52 62.82 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.475 0.71 . . . . 0.0 112.359 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.26 -44.15 33.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.43 0.692 . . . . 0.0 110.905 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mm -81.21 -48.67 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.962 1.305 . . . . 0.0 110.177 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.83 -39.03 37.37 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.753 1.221 . . . . 0.0 111.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -28.23 68.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.149 0.98 . . . . 0.0 112.994 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -77.45 -43.96 30.59 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 118.976 0.807 . . . . 0.0 109.94 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.77 -37.3 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.211 0.605 . . . . 0.0 109.47 -172.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -81.28 1.33 32.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.21 -13.53 58.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.654 0.782 . . . . 0.0 112.273 170.53 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.45 47.81 0.17 Allowed Glycine 0 CA--C 1.525 0.704 0 CA-C-O 119.719 -0.49 . . . . 0.0 113.774 169.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.46 -177.52 3.2 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 117.471 0.635 . . . . 0.0 112.337 -168.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 54.0 p -129.68 -174.45 3.3 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.177 1.391 . . . . 0.0 109.425 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.58 120.13 2.53 Favored Pre-proline 0 N--CA 1.454 -0.254 0 C-N-CA 123.846 0.858 . . . . 0.0 110.987 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 -47.0 29.45 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.483 2.789 . . . . 0.0 113.362 -169.515 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 124.145 0.978 . . . . 0.0 109.889 -171.88 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.88 107.23 18.08 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.53 132.48 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.318 0.647 . . . . 0.0 109.287 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.65 135.73 51.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.895 0.878 . . . . 0.0 109.836 169.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -97.98 145.32 26.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.127 0.571 . . . . 0.0 110.919 170.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.43 HH21 ' CA ' ' C' ' 11' ' ' SER . 0.0 OUTLIER -146.16 156.8 43.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.206 1.002 . . . . 0.0 110.756 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.0 tptm -97.32 158.58 15.39 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 124.691 1.196 . . . . 0.0 109.625 170.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.38 139.06 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.945 0.793 . . . . 0.0 111.691 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.85 -3.86 85.86 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.614 1.102 . . . . 0.0 114.726 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -85.61 -177.17 6.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.493 1.646 . . . . 0.0 113.027 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.43 ' CA ' HH21 ' C' ' 6' ' ' ARG . 54.9 m -141.25 147.68 38.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.511 1.124 . . . . 0.0 113.11 -165.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -139.22 151.31 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.06 2.144 . . . . 0.0 107.755 -174.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -134.3 144.7 48.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.835 0.854 . . . . 0.0 111.258 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.06 132.25 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.414 1.086 . . . . 0.0 109.055 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.91 -134.48 49.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.27 7.59 5.44 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.743 0.817 . . . . 0.0 111.856 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -115.13 -13.82 11.79 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 124.155 0.982 . . . . 0.0 113.014 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.95 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.726 0.694 . . . . 0.0 110.747 -173.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -130.55 140.75 50.47 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.48 1.112 . . . . 0.0 109.501 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -124.7 136.79 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.06 1.344 . . . . 0.0 108.227 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -128.29 138.08 52.25 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.708 -0.62 . . . . 0.0 110.337 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -91.16 114.14 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 168.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -87.95 -35.02 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.92 -173.39 39.13 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.708 -0.282 . . . . 0.0 113.062 167.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.43 162.49 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 121.565 0.697 . . . . 0.0 111.937 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.5 m -142.61 70.1 1.32 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.303 1.841 . . . . 0.0 108.034 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.59 -109.77 3.07 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 -168.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.3 -6.72 37.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -94.5 160.09 14.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.893 0.854 . . . . 0.0 112.313 172.437 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.433 HG11 HG11 ' D' ' 30' ' ' VAL . 86.7 t -136.08 108.9 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.594 1.558 . . . . 0.0 107.049 -168.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -75.25 110.16 9.36 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -107.09 130.81 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.29 1.436 . . . . 0.0 109.881 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.99 141.48 15.72 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 110.721 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.96 125.03 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -129.67 96.17 4.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -169.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.59 154.57 66.55 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 124.327 1.051 . . . . 0.0 110.032 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 152.89 77.49 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.656 2.237 . . . . 0.0 111.194 172.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.88 -1.01 3.45 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.313 0.645 . . . . 0.0 112.466 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.84 -22.83 66.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.346 1.058 . . . . 0.0 111.228 168.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -124.78 151.41 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.342 1.057 . . . . 0.0 110.698 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 155.67 19.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.735 0.414 . . . . 0.0 111.51 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 m -139.0 132.16 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 123.152 0.581 . . . . 0.0 109.707 170.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -157.3 166.4 33.23 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' D' ' 12' ' ' ILE . 84.9 mtm-85 -69.51 153.57 43.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 165.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.96 -32.5 72.03 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.241 -0.287 . . . . 0.0 111.69 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.02 -45.56 83.01 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.147 0.979 . . . . 0.0 111.886 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.39 -32.94 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.365 0.666 . . . . 0.0 110.839 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -50.86 -40.03 55.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.269 1.028 . . . . 0.0 112.098 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -60.24 -28.54 68.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.389 0.676 . . . . 0.0 112.298 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -71.98 -41.29 67.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.306 0.642 . . . . 0.0 111.754 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.192 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 69.2 mmm . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -134.97 110.62 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.278 1.831 . . . . 0.0 106.524 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.82 138.21 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.571 1.148 . . . . 0.0 109.516 -169.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.04 156.9 30.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.215 0.606 . . . . 0.0 111.654 175.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 70.6 p -91.77 148.3 22.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.158 0.504 . . . . 0.0 111.66 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -132.69 135.75 45.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.117 0.967 . . . . 0.0 108.634 167.609 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 63.0 mttt -84.19 158.56 21.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.476 168.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 m -54.58 124.19 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 111.415 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.56 -3.23 53.52 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.167 0.889 . . . . 0.0 114.024 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -95.24 170.71 9.2 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.503 1.152 . . . . 0.0 112.04 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -134.32 161.56 34.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' C' ' 44' ' ' ARG . 45.2 mm -136.68 151.49 27.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 128.088 2.555 . . . . 0.0 108.301 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -119.54 149.48 41.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.889 0.876 . . . . 0.0 111.83 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.7 mt -134.02 134.16 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.93 1.292 . . . . 0.0 109.338 173.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.72 -129.94 42.39 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -130.05 4.23 4.86 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.99 0.916 . . . . 0.0 111.715 172.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -132.26 -8.97 3.36 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.77 133.05 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.76 0.709 . . . . 0.0 110.34 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -129.37 144.56 51.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.842 0.857 . . . . 0.0 109.91 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -126.14 144.56 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.954 1.302 . . . . 0.0 108.336 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -137.03 129.57 30.11 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.483 0.713 . . . . 0.0 109.468 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' D' ' 30' ' ' VAL . 0.1 OUTLIER -86.83 109.95 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.129 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 mt -80.92 -36.12 31.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.349 0.66 . . . . 0.0 111.007 -168.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 -178.16 45.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 170.863 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.01 157.71 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.323 0.649 . . . . 0.0 109.869 168.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -141.61 76.95 1.57 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.86 -116.4 4.27 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -172.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -92.77 -4.2 53.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.207 0.603 . . . . 0.0 110.333 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -75.71 152.6 37.45 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 112.015 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' D' ' 22' ' ' ILE . 22.3 t -130.18 121.03 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 C-N-CA 125.585 1.554 . . . . 0.0 106.897 169.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -96.54 118.96 34.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.453 1.101 . . . . 0.0 108.151 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.37 130.13 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.455 0.302 . . . . 0.0 110.574 -168.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.95 141.59 15.78 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 124.399 0.999 . . . . 0.0 111.287 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.5 141.05 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -138.11 98.59 3.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.462 0.705 . . . . 0.0 109.221 -174.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.86 155.42 80.3 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.483 1.113 . . . . 0.0 109.397 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -62.19 150.59 86.25 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.186 1.924 . . . . 0.0 110.598 169.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -69.26 -1.22 7.5 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 121.796 -0.565 . . . . 0.0 112.437 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.53 -22.39 66.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.709 1.204 . . . . 0.0 111.385 168.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.87 159.95 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.351 1.06 . . . . 0.0 110.711 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.65 157.04 16.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.08 127.23 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 O-C-N 121.915 -0.491 . . . . 0.0 110.019 168.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -149.85 167.5 26.4 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.662 0.785 . . . . 0.0 111.206 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.52 154.81 30.14 Favored 'General case' 0 C--O 1.227 -0.128 0 C-N-CA 123.156 0.582 . . . . 0.0 110.232 168.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.59 -34.66 73.01 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.082 0.953 . . . . 0.0 112.921 -169.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.8 -27.77 67.84 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.06 -38.25 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 170.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.99 -35.31 66.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.09 0.556 . . . . 0.0 112.464 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.49 -20.99 65.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.461 0.704 . . . . 0.0 112.768 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -85.91 -30.25 22.99 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.113 1.365 . . . . 0.0 111.248 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 C-N-CA 124.603 1.161 . . . . 0.0 108.808 171.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 tt -119.81 116.03 25.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.897 0.879 . . . . 0.0 109.845 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -107.76 138.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.177 0.991 . . . . 0.0 109.989 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.59 165.04 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.831 1.652 . . . . 0.0 110.611 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -133.72 99.79 4.58 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 168.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.445 ' CD ' HD11 ' E' ' 12' ' ' ILE . 5.4 mmp_? -108.48 144.96 35.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.867 1.267 . . . . 0.0 111.528 -172.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -90.04 164.64 14.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.46 140.23 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-O 120.883 0.373 . . . . 0.0 111.515 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.47 -3.54 86.39 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.794 0.711 . . . . 0.0 114.202 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.07 168.1 18.12 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 118.563 1.182 . . . . 0.0 111.464 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -136.33 151.52 49.68 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.394 0.678 . . . . 0.0 112.065 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 12' ' ' ILE . . . . . 0.445 HD11 ' CD ' ' E' ' 6' ' ' ARG . 43.3 mm -134.51 153.85 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 126.622 1.969 . . . . 0.0 108.264 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -133.25 151.61 51.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.197 -0.939 . . . . 0.0 112.907 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -137.53 140.42 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.761 1.224 . . . . 0.0 108.962 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -137.7 49.88 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.51 10.08 8.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.208 1.003 . . . . 0.0 111.544 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.16 -5.98 1.09 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -170.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.14 134.44 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 119.043 0.838 . . . . 0.0 110.699 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -127.47 145.35 50.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.469 1.108 . . . . 0.0 110.34 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -125.39 139.58 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.779 1.632 . . . . 0.0 108.125 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -135.99 130.51 33.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -82.01 107.48 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.15 -31.74 64.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.571 0.348 . . . . 0.0 110.274 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.94 -173.71 33.25 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.359 0.504 . . . . 0.0 113.362 169.525 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.6 159.5 15.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 C-N-CA 123.528 0.731 . . . . 0.0 112.11 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.0 t -149.97 89.91 1.64 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.685 1.194 . . . . 0.0 109.383 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.25 -111.86 3.89 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 121.492 -0.755 . . . . 0.0 111.872 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.55 -21.77 20.69 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 117.693 0.746 . . . . 0.0 111.556 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -74.15 144.25 44.94 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.721 0.809 . . . . 0.0 109.688 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.68 113.15 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -85.96 122.87 30.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -130.3 131.3 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.71 0.804 . . . . 0.0 110.47 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.25 143.84 16.98 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.233 0.921 . . . . 0.0 111.761 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -134.42 131.98 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.328 1.451 . . . . 0.0 108.655 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -133.17 100.71 4.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -172.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.18 155.4 75.96 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.8 1.24 . . . . 0.0 110.588 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.05 158.4 43.86 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.009 2.473 . . . . 0.0 111.996 171.667 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -73.02 -0.99 15.44 Favored 'General case' 0 N--CA 1.458 -0.053 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.05 -21.36 66.38 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.397 1.079 . . . . 0.0 111.424 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -124.87 159.35 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.297 1.039 . . . . 0.0 110.736 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.55 16.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.125 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.01 127.95 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.406 0.682 . . . . 0.0 110.123 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -150.15 170.88 17.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.831 0.852 . . . . 0.0 110.815 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -71.3 160.58 32.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.3 -32.05 70.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.232 -0.292 . . . . 0.0 111.515 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.95 -44.41 78.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.586 1.155 . . . . 0.0 111.939 173.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -87.83 -33.7 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.039 0.936 . . . . 0.0 110.279 -170.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.84 -34.7 28.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.949 1.3 . . . . 0.0 112.839 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.06 -21.97 59.99 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.329 1.051 . . . . 0.0 112.669 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -73.33 -47.36 43.08 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.355 0.662 . . . . 0.0 109.527 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 51' ' ' ILE . . . . . 0.498 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.8 mp -65.59 -22.97 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.326 1.45 . . . . 0.0 110.373 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 169.147 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.43 149.64 21.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.798 0.439 . . . . 0.0 111.435 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.57 136.08 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.23 163.07 27.53 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.726 1.21 . . . . 0.0 109.624 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.37 97.72 5.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.195 0.522 . . . . 0.0 109.844 169.12 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -104.88 135.12 46.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.057 1.343 . . . . 0.0 109.222 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -99.68 167.41 10.58 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 119.292 0.951 . . . . 0.0 113.156 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.81 136.93 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.395 -169.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.97 -8.44 76.2 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 113.739 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -95.84 175.81 6.36 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.734 1.267 . . . . 0.0 112.287 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -136.7 160.03 40.05 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -169.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -138.69 158.86 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 127.159 2.184 . . . . 0.0 107.664 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.32 150.95 48.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.417 -0.802 . . . . 0.0 112.573 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.91 142.13 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.634 1.173 . . . . 0.0 109.129 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.08 -132.95 49.03 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -127.85 10.07 6.47 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.284 1.034 . . . . 0.0 111.901 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -139.6 -14.18 1.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -103.47 136.1 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 118.835 0.743 . . . . 0.0 110.398 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.29 141.89 51.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.127 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -121.97 139.99 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.365 1.466 . . . . 0.0 108.119 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -135.24 129.54 33.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.208 0.603 . . . . 0.0 109.617 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -85.91 110.87 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 172.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.4 mt -85.35 -26.78 26.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.447 0.699 . . . . 0.0 111.218 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.71 -171.75 34.31 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.352 0.501 . . . . 0.0 113.29 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.61 157.32 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.397 0.679 . . . . 0.0 111.983 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -147.83 89.87 1.79 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.669 1.188 . . . . 0.0 108.605 169.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.77 -119.01 12.44 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -172.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -84.83 -20.12 31.4 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.199 0.499 . . . . 0.0 112.307 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -72.68 143.43 48.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -135.89 115.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -176.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -86.51 125.33 33.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.23 139.82 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.012 0.925 . . . . 0.0 110.096 -168.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.86 140.03 15.84 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 124.211 0.91 . . . . 0.0 111.175 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.97 140.55 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.358 1.063 . . . . 0.0 109.902 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -133.58 110.09 9.67 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.363 1.065 . . . . 0.0 109.336 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.95 157.94 77.09 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.632 0.773 . . . . 0.0 111.565 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.74 161.62 38.19 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.051 2.501 . . . . 0.0 112.169 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.15 -17.22 63.28 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.032 0.933 . . . . 0.0 112.617 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.18 -16.18 64.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.068 1.347 . . . . 0.0 112.668 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.11 165.05 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.05 160.98 14.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.369 0.667 . . . . 0.0 111.487 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 121.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.305 0.642 . . . . 0.0 110.448 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -151.93 177.71 10.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.446 1.098 . . . . 0.0 110.18 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -82.66 164.21 20.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.789 -0.569 . . . . 0.0 110.588 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.89 -23.11 64.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.534 0.734 . . . . 0.0 112.396 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.02 -47.75 73.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.074 0.95 . . . . 0.0 111.32 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -77.44 -30.85 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.475 0.71 . . . . 0.0 109.99 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -55.07 -36.41 65.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.322 0.649 . . . . 0.0 112.61 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.46 -26.15 65.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.274 0.63 . . . . 0.0 112.428 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -72.07 -23.0 61.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.513 0.725 . . . . 0.0 110.779 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.451 -0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 109.809 -170.53 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.83 119.6 38.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.837 0.855 . . . . 0.0 109.609 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.66 137.81 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.069 0.948 . . . . 0.0 110.724 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.9 mt -136.22 153.96 51.07 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.634 1.174 . . . . 0.0 110.25 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -127.98 100.98 6.11 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.867 0.867 . . . . 0.0 109.878 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -129.91 146.04 51.62 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.52 -0.737 . . . . 0.0 111.22 -170.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.74 166.27 15.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.567 0.747 . . . . 0.0 111.34 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.432 HG13 ' HA2' ' A' ' 24' ' ' GLY . 69.3 t -44.58 129.33 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.832 0.853 . . . . 0.0 110.88 169.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 -10.86 72.45 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.167 0.889 . . . . 0.0 113.922 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -84.62 171.27 12.57 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.79 1.295 . . . . 0.0 111.75 174.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 m -139.94 158.62 43.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -168.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.8 mm -130.53 156.27 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 126.745 2.018 . . . . 0.0 108.092 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -133.44 142.21 48.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.273 1.029 . . . . 0.0 110.946 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mt -134.09 121.58 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.738 1.215 . . . . 0.0 108.187 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' ASP . . . -77.69 10.11 26.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.9 5.23 4.34 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.636 0.718 . . . . 0.0 110.219 165.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 15' ' ' GLY . 46.9 m-20 88.74 45.21 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 130.005 3.322 . . . . 0.0 112.389 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.72 143.44 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 121.183 0.516 . . . . 0.0 111.993 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.9 m -125.29 142.13 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.275 1.03 . . . . 0.0 109.33 169.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -121.81 143.96 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.531 1.132 . . . . 0.0 108.868 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -135.38 133.96 39.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.695 0.798 . . . . 0.0 109.647 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -87.09 101.89 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 171.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.32 -25.83 58.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.032 -0.418 . . . . 0.0 110.47 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.58 -176.62 42.85 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 118.292 0.496 . . . . 0.0 114.174 168.769 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.81 151.96 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.7 m -140.92 65.49 1.4 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.913 1.285 . . . . 0.0 110.002 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.52 -127.96 11.02 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.19 -12.67 59.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 18.2 pt20 -98.72 130.07 45.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.772 1.272 . . . . 0.0 110.571 175.149 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.9 t -112.71 124.4 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 126.477 1.911 . . . . 0.0 108.859 -167.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -91.61 101.88 14.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -109.16 133.87 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.542 1.137 . . . . 0.0 109.451 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.84 138.69 14.72 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.088 0.851 . . . . 0.0 111.557 171.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.0 mt -111.33 135.69 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 108.624 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -123.93 74.95 1.32 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.229 1.012 . . . . 0.0 109.439 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.82 153.46 43.71 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 125.35 1.46 . . . . 0.0 111.116 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.81 155.12 43.84 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.057 2.505 . . . . 0.0 110.515 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -68.79 -3.26 11.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.96 -24.64 63.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.009 0.924 . . . . 0.0 111.991 169.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.24 143.96 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.853 0.835 . . . . 0.0 111.58 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.84 142.99 28.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 110.843 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.62 126.49 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 122.826 0.45 . . . . 0.0 110.455 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -152.06 155.1 37.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.881 0.872 . . . . 0.0 110.038 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -81.81 167.74 18.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.012 -0.43 . . . . 0.0 111.71 170.402 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.21 -34.99 78.83 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.566 0.746 . . . . 0.0 112.268 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.66 -22.19 44.42 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.103 1.361 . . . . 0.0 112.875 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.458 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 5.9 mt -124.98 -6.74 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.769 1.228 . . . . 0.0 110.779 -169.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -79.99 -39.09 30.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.539 -1.35 . . . . 0.0 110.744 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -71.38 -25.61 62.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.002 0.521 . . . . 0.0 111.721 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 19.2 ptp180 -74.83 -32.06 61.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.763 0.825 . . . . 0.0 111.836 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -67.02 -48.68 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 123.719 0.808 . . . . 0.0 112.507 -176.074 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.556 -0.259 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.3 120.56 38.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.206 1.402 . . . . 0.0 107.731 169.302 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -118.95 140.32 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.191 0.597 . . . . 0.0 112.522 -164.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -144.39 142.89 30.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.69 1.196 . . . . 0.0 111.867 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -89.75 124.38 34.58 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 165.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -123.81 115.92 22.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.172 0.589 . . . . 0.0 109.793 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 71.4 tttt -84.43 148.85 26.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.407 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 20.5 m -54.78 128.88 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-O 121.329 0.585 . . . . 0.0 111.212 -170.707 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.06 -9.0 63.34 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.099 -0.834 . . . . 0.0 114.753 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -83.94 164.85 19.13 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 119.009 1.404 . . . . 0.0 111.455 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 39.4 m -132.45 158.61 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.61 0.764 . . . . 0.0 112.114 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 34.5 mt -138.6 157.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.589 1.555 . . . . 0.0 109.569 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -137.12 141.53 42.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.825 0.85 . . . . 0.0 111.053 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.9 mt -134.35 129.15 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 124.325 1.05 . . . . 0.0 109.386 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.98 -132.63 52.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -175.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -129.52 5.03 5.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.701 0.8 . . . . 0.0 112.878 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -114.57 -16.31 11.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.66 136.32 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 119.262 0.937 . . . . 0.0 111.665 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -129.75 148.88 51.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.027 1.331 . . . . 0.0 109.727 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -130.77 147.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.928 1.691 . . . . 0.0 108.365 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.29 134.12 32.16 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 122.969 0.508 . . . . 0.0 110.27 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.89 93.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 172.203 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.43 -34.85 78.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.977 -0.452 . . . . 0.0 110.962 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.407 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 163.46 -174.77 39.73 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -113.44 152.96 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.094 0.473 . . . . 0.0 110.314 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -127.67 73.05 1.42 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.57 1.148 . . . . 0.0 108.677 173.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.26 -120.19 5.07 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.98 12.21 34.97 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.682 0.793 . . . . 0.0 111.19 172.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -98.84 152.65 19.49 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.047 0.939 . . . . 0.0 109.703 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -133.5 115.38 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 117.54 25.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.269 1.427 . . . . 0.0 109.23 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -127.23 131.94 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.076 0.95 . . . . 0.0 109.672 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.92 137.15 13.09 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.34 130.12 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.908 0.883 . . . . 0.0 109.189 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -132.65 76.34 1.68 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.575 -167.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.06 157.14 56.05 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.258 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -58.84 154.88 41.08 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.686 1.591 . . . . 0.0 109.674 168.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -0.76 8.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.975 0.91 . . . . 0.0 111.197 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.82 -23.76 66.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.546 1.938 . . . . 0.0 111.352 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -112.89 144.15 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.99 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.64 140.0 30.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.233 0.54 . . . . 0.0 111.805 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 t -143.44 102.85 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.68 -166.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -146.46 175.89 10.21 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.471 1.108 . . . . 0.0 110.981 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -82.11 163.48 21.98 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.865 0.466 . . . . 0.0 111.207 168.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -53.55 -41.27 66.29 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 123.469 0.708 . . . . 0.0 112.049 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.57 -43.92 36.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.063 0.545 . . . . 0.0 111.399 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -83.57 -47.91 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 125.278 1.431 . . . . 0.0 110.167 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -48.96 -37.65 20.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.65 1.18 . . . . 0.0 111.754 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.85 -25.91 65.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.734 0.814 . . . . 0.0 113.13 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -81.77 -39.54 23.96 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.154 0.888 . . . . 0.0 110.587 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.68 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -79.95 5.01 15.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.52 -14.82 56.46 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.201 0.6 . . . . 0.0 112.04 169.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.48 45.45 0.13 Allowed Glycine 0 C--N 1.339 0.706 0 CA-C-O 119.554 -0.581 . . . . 0.0 114.177 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -175.42 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.804 0.802 . . . . 0.0 112.737 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 42.0 p -128.77 179.32 5.77 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.278 1.431 . . . . 0.0 109.325 167.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.27 120.51 1.28 Allowed Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 124.345 1.058 . . . . 0.0 111.499 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -62.35 169.34 8.16 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.644 2.23 . . . . 0.0 114.309 -169.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.633 1.173 . . . . 0.0 112.584 176.698 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.73 110.99 22.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.093 0.957 . . . . 0.0 108.904 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.55 133.55 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 109.534 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.12 137.66 53.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.116 0.966 . . . . 0.0 110.097 169.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -98.1 144.74 27.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.067 0.547 . . . . 0.0 110.257 169.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' C' ' 11' ' ' SER . 0.0 OUTLIER -146.08 152.34 39.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.63 0.772 . . . . 0.0 111.031 176.729 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -91.94 161.13 14.94 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.961 0.904 . . . . 0.0 109.383 170.367 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.88 139.96 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 118.897 0.771 . . . . 0.0 111.93 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.17 89.13 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.857 1.218 . . . . 0.0 114.769 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -84.01 -175.34 5.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.789 1.795 . . . . 0.0 112.945 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' SER . . . . . 0.458 ' HA ' HH21 ' C' ' 6' ' ' ARG . 69.3 m -144.25 146.05 32.42 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -164.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -138.83 153.17 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 127.094 2.158 . . . . 0.0 108.969 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -130.45 148.69 52.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.818 1.247 . . . . 0.0 111.797 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -136.33 140.42 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.721 1.208 . . . . 0.0 109.255 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -135.8 51.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.61 10.04 7.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.765 0.826 . . . . 0.0 111.35 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.66 -10.24 5.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.307 1.043 . . . . 0.0 112.769 -172.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.08 135.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.437 0.695 . . . . 0.0 110.532 -174.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -133.84 144.56 49.02 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.821 1.248 . . . . 0.0 108.702 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 mt -135.25 136.69 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -121.67 134.05 54.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.349 1.06 . . . . 0.0 110.157 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -84.82 120.34 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.088 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -93.9 -34.67 13.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -173.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.81 41.2 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 120.394 -0.114 . . . . 0.0 113.17 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.35 152.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.176 0.59 . . . . 0.0 110.709 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -145.2 103.72 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.668 1.187 . . . . 0.0 107.839 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.86 -131.92 26.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -169.094 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.04 -3.76 58.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.701 0.801 . . . . 0.0 113.011 170.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.16 147.33 29.08 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.243 0.617 . . . . 0.0 110.111 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -131.43 112.4 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -76.76 110.35 11.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -116.53 133.3 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.784 1.234 . . . . 0.0 109.484 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.26 129.16 9.54 Favored Glycine 0 C--N 1.337 0.599 0 C-N-CA 123.909 0.766 . . . . 0.0 111.813 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -109.22 127.54 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.563 1.145 . . . . 0.0 108.505 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.78 96.06 5.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.633 0.773 . . . . 0.0 109.909 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.05 154.43 81.31 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.319 1.048 . . . . 0.0 110.345 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.11 152.54 80.66 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.846 2.364 . . . . 0.0 111.077 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.63 -0.94 3.18 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.261 0.624 . . . . 0.0 112.649 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.86 -22.16 66.51 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.285 1.034 . . . . 0.0 111.115 168.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.08 150.44 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.402 1.081 . . . . 0.0 110.716 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 155.54 20.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.879 0.472 . . . . 0.0 111.434 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.51 127.98 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.185 0.594 . . . . 0.0 109.758 169.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -154.17 151.81 29.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.959 0.504 . . . . 0.0 111.528 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -71.37 160.76 32.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.174 -0.329 . . . . 0.0 110.367 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.0 -33.04 71.45 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.18 -20.57 60.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.57 -33.25 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.778 0.831 . . . . 0.0 110.797 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.2 -38.19 73.32 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.457 -0.777 . . . . 0.0 111.759 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.97 -29.89 71.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.902 -0.499 . . . . 0.0 112.041 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -69.74 -34.09 73.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.123 0.969 . . . . 0.0 111.625 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mm . . . . . 0 N--CA 1.457 -0.103 0 C-N-CA 123.506 0.722 . . . . 0.0 110.629 173.381 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.511 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.8 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.72 107.63 13.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.002 1.321 . . . . 0.0 109.138 172.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.2 mp -100.12 139.64 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.119 1.367 . . . . 0.0 110.001 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.18 163.7 32.05 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.269 1.428 . . . . 0.0 110.985 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -103.93 119.28 38.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 163.406 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.3 OUTLIER -107.24 130.15 54.78 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.134 0.573 . . . . 0.0 110.755 170.236 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.87 158.33 26.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.316 0.507 . . . . 0.0 110.414 169.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -56.57 138.46 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 111.58 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.96 -2.23 85.49 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.24 0.924 . . . . 0.0 114.151 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -98.6 177.73 5.23 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.833 1.316 . . . . 0.0 112.13 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 36.1 m -138.86 160.3 40.04 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -138.96 154.87 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 126.607 1.963 . . . . 0.0 108.881 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -123.99 150.09 45.24 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.99 0.916 . . . . 0.0 111.299 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -134.74 136.83 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.146 1.379 . . . . 0.0 109.134 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.42 -132.36 51.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -130.03 10.03 5.38 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.262 0.625 . . . . 0.0 112.056 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.03 -7.17 4.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.801 0.84 . . . . 0.0 113.078 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.06 134.73 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.401 0.68 . . . . 0.0 110.316 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -127.51 146.66 50.43 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.207 1.003 . . . . 0.0 110.01 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -125.86 141.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.406 1.482 . . . . 0.0 108.277 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -135.89 123.11 21.72 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.384 0.674 . . . . 0.0 109.521 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.89 101.01 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 mt -73.6 -31.74 63.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.257 0.623 . . . . 0.0 110.641 -170.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.2 40.34 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 122.678 0.18 . . . . 0.0 112.71 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -108.1 159.47 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.109 0.564 . . . . 0.0 110.141 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -139.6 76.45 1.56 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.494 0.717 . . . . 0.0 109.419 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.19 -114.28 3.82 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.5 mp0 -93.49 -3.52 52.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.414 0.686 . . . . 0.0 110.403 173.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -74.63 154.85 38.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.341 0.591 . . . . 0.0 112.197 169.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.61 116.85 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.969 1.708 . . . . 0.0 106.714 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -97.49 115.05 27.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.754 1.222 . . . . 0.0 108.445 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.85 125.0 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.834 0.454 . . . . 0.0 111.104 -167.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.81 140.83 17.43 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' ILE . . . . . 0.403 HG21 HG21 ' D' ' 42' ' ' VAL . 64.7 mt -131.14 139.17 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.0 99.12 3.81 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -170.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.6 155.5 80.49 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 124.555 1.142 . . . . 0.0 109.537 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.17 151.4 82.25 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.153 1.902 . . . . 0.0 110.732 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.62 -0.99 7.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 174.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -67.58 -21.66 65.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.796 1.238 . . . . 0.0 111.283 168.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.439 1.096 . . . . 0.0 110.682 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.22 157.05 17.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.197 0.599 . . . . 0.0 112.173 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' VAL . . . . . 0.403 HG21 HG21 ' D' ' 34' ' ' ILE . 0.8 OUTLIER -149.08 127.6 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 121.7 -0.625 . . . . 0.0 111.216 170.128 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -153.17 172.82 16.35 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.117 0.967 . . . . 0.0 111.522 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 50.7 mtp85 -69.76 164.09 24.31 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 166.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.06 -39.11 84.85 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 118.264 0.484 . . . . 0.0 111.333 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -50.03 -43.68 50.94 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.799 0.84 . . . . 0.0 112.613 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.55 -35.1 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.316 1.046 . . . . 0.0 110.521 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.12 -43.41 82.33 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.838 0.855 . . . . 0.0 110.456 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.19 -23.46 66.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.496 0.718 . . . . 0.0 112.724 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -77.15 -41.45 41.7 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 123.352 0.661 . . . . 0.0 110.897 170.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.604 179.264 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -103.9 120.11 40.33 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 96.4 mt -129.04 136.71 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.675 0.79 . . . . 0.0 109.563 -170.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -137.55 163.86 30.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 111.036 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 98.99 5.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 167.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -105.03 133.45 49.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.701 1.6 . . . . 0.0 109.262 -174.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -99.86 167.62 10.4 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 120.347 1.431 . . . . 0.0 112.889 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.4 138.73 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.698 -169.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.93 -4.7 85.57 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 123.936 0.779 . . . . 0.0 114.114 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -93.07 178.76 5.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.641 1.221 . . . . 0.0 111.469 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -138.18 159.84 40.98 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -138.81 157.12 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 126.891 2.076 . . . . 0.0 108.379 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.14 149.1 47.08 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.458 -0.776 . . . . 0.0 112.984 -174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.2 141.71 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.534 1.134 . . . . 0.0 109.358 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.02 48.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -126.73 8.13 6.88 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.996 0.918 . . . . 0.0 111.754 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.29 -3.13 1.96 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -171.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.99 134.32 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.856 0.753 . . . . 0.0 110.679 -175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -128.86 142.57 50.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 109.964 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -123.86 140.24 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.126 1.37 . . . . 0.0 108.178 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -135.71 129.59 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.051 0.541 . . . . 0.0 109.934 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.34 104.24 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -74.25 -28.03 61.03 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.81 0.444 . . . . 0.0 111.187 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -172.76 34.54 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 123.424 0.535 . . . . 0.0 113.704 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -120.13 156.93 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -144.82 89.92 2.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.928 1.291 . . . . 0.0 109.029 169.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.75 -112.32 4.86 Favored Glycine 0 CA--C 1.526 0.773 0 O-C-N 121.469 -0.77 . . . . 0.0 111.539 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -90.43 -21.74 21.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 117.881 0.84 . . . . 0.0 111.579 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -69.24 145.65 52.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.71 114.74 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.29 123.17 32.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.16 134.82 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.755 0.822 . . . . 0.0 110.475 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.06 141.02 15.16 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.579 1.085 . . . . 0.0 111.449 171.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -130.87 128.58 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.045 1.338 . . . . 0.0 108.932 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -130.14 98.99 4.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -172.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 154.87 75.96 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.757 1.223 . . . . 0.0 110.596 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.71 157.75 40.92 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.097 173.006 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -71.62 -0.97 12.01 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.37 -21.78 66.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.481 1.112 . . . . 0.0 111.714 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.8 157.64 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.245 1.018 . . . . 0.0 110.393 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.18 14.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 129.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.766 0.427 . . . . 0.0 110.749 170.272 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -150.73 169.12 22.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.41 1.084 . . . . 0.0 110.279 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.86 151.83 44.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 168.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.1 -27.93 64.14 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.639 0.654 . . . . 0.0 111.254 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.56 -46.0 90.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.394 1.078 . . . . 0.0 111.117 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.45 -39.54 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.732 0.813 . . . . 0.0 109.952 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -56.44 -36.3 68.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.312 0.645 . . . . 0.0 111.839 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.01 -21.9 62.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -72.04 -24.43 61.54 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.801 0.728 . . . . 0.0 111.23 171.121 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.63 -28.72 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.164 1.386 . . . . 0.0 110.138 -174.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 174.437 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -98.63 149.0 23.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.061 0.544 . . . . 0.0 111.457 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.68 135.45 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.915 0.886 . . . . 0.0 108.858 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.49 161.22 35.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 109.951 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.6 101.99 7.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 168.275 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.26 132.93 53.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.767 1.627 . . . . 0.0 111.075 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -97.43 166.87 11.33 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 119.692 1.133 . . . . 0.0 113.432 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.32 136.57 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.78 -169.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.09 -7.04 78.94 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.257 0.932 . . . . 0.0 113.784 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -93.68 174.22 7.29 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.707 1.254 . . . . 0.0 112.404 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -138.73 161.15 37.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -169.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -142.25 152.94 18.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.613 1.965 . . . . 0.0 108.103 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.56 147.92 44.54 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.728 0.811 . . . . 0.0 111.674 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.55 140.51 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.731 1.212 . . . . 0.0 109.503 174.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.83 -132.27 43.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -130.08 9.99 5.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.503 0.721 . . . . 0.0 111.705 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -137.41 -17.84 1.3 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.674 0.789 . . . . 0.0 113.101 -172.166 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.66 132.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 118.733 0.697 . . . . 0.0 109.925 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -123.84 143.6 50.24 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.662 0.785 . . . . 0.0 110.167 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -122.87 143.05 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.448 1.499 . . . . 0.0 108.344 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.9 m -138.88 131.79 29.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.368 0.667 . . . . 0.0 109.917 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -89.29 110.96 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.19 -33.37 26.17 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.006 0.523 . . . . 0.0 110.754 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -172.19 40.32 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 114.019 0.368 . . . . 0.0 114.019 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.61 159.08 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.706 0.803 . . . . 0.0 112.013 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.06 89.94 1.64 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.022 1.329 . . . . 0.0 108.996 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -115.27 5.89 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.624 -0.591 . . . . 0.0 111.624 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -88.22 -23.64 23.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.398 0.599 . . . . 0.0 111.556 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -73.64 146.9 44.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.684 0.754 . . . . 0.0 110.955 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.94 119.63 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -171.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -82.33 116.77 21.98 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.683 0.793 . . . . 0.0 109.048 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.76 138.51 54.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 123.493 0.717 . . . . 0.0 110.276 -172.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.36 143.97 16.33 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.186 0.898 . . . . 0.0 112.025 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.89 138.28 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.103 1.361 . . . . 0.0 109.784 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -126.8 107.0 9.73 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.874 1.27 . . . . 0.0 109.054 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.29 157.24 75.09 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.773 0.829 . . . . 0.0 111.589 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.6 161.7 34.34 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.923 2.415 . . . . 0.0 112.018 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -71.48 -5.08 30.37 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.449 0.7 . . . . 0.0 112.613 172.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.33 -19.55 63.06 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.742 1.217 . . . . 0.0 112.485 172.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -129.11 166.3 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.965 0.906 . . . . 0.0 111.127 -177.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.83 163.11 12.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.81 0.844 . . . . 0.0 111.193 173.233 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.06 127.01 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.33 0.652 . . . . 0.0 110.36 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -152.08 176.08 11.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.964 0.906 . . . . 0.0 110.335 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -79.07 163.37 25.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.07 -32.23 67.84 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.976 0.51 . . . . 0.0 112.266 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.51 -44.82 81.14 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.218 1.007 . . . . 0.0 111.732 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 mm -91.06 -29.28 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.769 0.828 . . . . 0.0 110.491 -169.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.86 -35.94 35.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.118 0.967 . . . . 0.0 112.752 175.253 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -59.57 -21.94 61.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.322 1.049 . . . . 0.0 112.647 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -77.8 -22.96 49.27 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.753 0.821 . . . . 0.0 110.644 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.51 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.1 mp . . . . . 0 N--CA 1.454 -0.251 0 C-N-CA 124.702 1.201 . . . . 0.0 109.628 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.21 113.97 25.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.697 0.799 . . . . 0.0 109.745 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.12 134.34 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.531 0.732 . . . . 0.0 109.412 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.5 mt -131.2 158.8 39.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.192 0.997 . . . . 0.0 109.909 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -128.09 100.89 6.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.706 0.802 . . . . 0.0 108.93 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -122.57 156.54 34.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.932 -0.48 . . . . 0.0 111.251 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -108.82 163.16 13.52 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.316 1.047 . . . . 0.0 110.395 -168.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG13 ' HA2' ' A' ' 24' ' ' GLY . 77.6 t -48.23 128.85 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.736 0.414 . . . . 0.0 111.124 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.15 74.02 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.142 0.877 . . . . 0.0 113.976 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -95.82 169.91 9.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.51 1.155 . . . . 0.0 112.262 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -138.04 154.09 49.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.747 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.6 mm -120.12 157.69 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.311 1.844 . . . . 0.0 109.713 175.362 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -130.41 136.67 49.28 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.078 0.951 . . . . 0.0 111.055 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -132.9 128.84 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.412 1.085 . . . . 0.0 109.582 -176.213 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.36 -125.94 21.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -129.28 -0.98 5.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.043 0.937 . . . . 0.0 111.827 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -146.29 -2.05 0.7 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -168.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.32 134.36 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.514 1.052 . . . . 0.0 110.718 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -133.88 132.66 40.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.918 0.887 . . . . 0.0 110.078 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 mm -112.99 145.56 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.26 1.024 . . . . 0.0 109.088 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -137.06 132.77 34.63 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.224 0.61 . . . . 0.0 110.429 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.88 99.2 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -29.17 64.4 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -175.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.95 175.41 38.9 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-N 117.87 0.305 . . . . 0.0 113.844 168.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.54 152.22 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.825 0.85 . . . . 0.0 111.505 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -139.08 61.02 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.847 1.259 . . . . 0.0 109.377 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.65 -122.22 6.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -174.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.56 -15.17 58.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.6 pt20 -98.75 146.05 26.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 122.662 1.22 . . . . 0.0 111.72 170.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -128.74 120.03 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 126.073 1.749 . . . . 0.0 108.334 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -90.51 101.86 14.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.5 mt -108.81 135.23 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.759 1.224 . . . . 0.0 109.223 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.54 139.26 15.25 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 123.743 0.687 . . . . 0.0 111.538 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.44 135.67 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.209 1.404 . . . . 0.0 108.809 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -116.93 78.14 1.18 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.368 1.067 . . . . 0.0 109.084 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.37 153.76 45.54 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.63 0.772 . . . . 0.0 110.583 172.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.21 155.5 46.82 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.685 2.257 . . . . 0.0 110.51 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -69.24 -2.79 11.46 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -69.77 -26.12 64.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.962 0.905 . . . . 0.0 111.968 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -114.98 144.05 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.899 0.857 . . . . 0.0 111.631 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.37 143.03 30.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.782 0.833 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 m -132.58 127.52 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.926 0.49 . . . . 0.0 110.169 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -152.73 161.52 42.46 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.524 0.73 . . . . 0.0 110.475 -172.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 163.7 16.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 122.122 -0.362 . . . . 0.0 111.402 168.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.82 -24.03 64.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.754 0.422 . . . . 0.0 112.119 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.38 -27.32 68.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.269 1.027 . . . . 0.0 112.676 169.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.35 -24.45 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.359 1.064 . . . . 0.0 110.889 -169.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -60.59 -32.06 71.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.597 -0.689 . . . . 0.0 110.674 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -75.44 -12.75 60.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.45 0.7 . . . . 0.0 111.992 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.98 -32.8 39.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.865 0.866 . . . . 0.0 110.765 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.3 mt -64.68 -53.2 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.769 0.827 . . . . 0.0 108.848 172.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 . . . . . 0 N--CA 1.452 -0.362 0 C-N-CA 123.824 0.849 . . . . 0.0 112.416 -174.585 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.31 123.18 49.53 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 169.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -120.01 138.14 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 122.965 0.506 . . . . 0.0 112.361 -165.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.5 mt -142.67 137.95 30.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.494 1.118 . . . . 0.0 111.159 -173.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 36.5 p -86.71 123.38 31.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 166.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -116.55 126.49 53.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.815 0.446 . . . . 0.0 110.382 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 19.5 tttp -83.98 150.1 25.86 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.068 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 33.0 m -56.52 130.52 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.388 0.54 . . . . 0.0 111.148 -171.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.9 61.37 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.65 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -86.69 166.14 15.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.97 1.385 . . . . 0.0 112.058 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -130.72 155.39 46.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.07 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mm -132.76 149.79 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 126.934 2.093 . . . . 0.0 108.598 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -130.96 140.75 50.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.029 0.931 . . . . 0.0 110.484 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.55 126.29 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.309 1.044 . . . . 0.0 109.431 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.77 -133.04 52.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.97 4.99 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.673 0.789 . . . . 0.0 113.02 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -111.39 -19.86 12.45 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.73 136.09 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 119.2 0.909 . . . . 0.0 111.618 -169.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -130.85 148.16 52.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.989 1.316 . . . . 0.0 109.474 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -131.01 144.22 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.483 1.513 . . . . 0.0 108.011 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -137.35 129.84 29.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.912 0.485 . . . . 0.0 110.115 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.52 102.27 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.55 -33.46 71.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.803 -0.561 . . . . 0.0 110.438 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 162.51 178.02 36.02 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 170.114 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -105.42 148.84 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 O-C-N 122.396 -0.473 . . . . 0.0 109.888 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -123.52 77.88 1.54 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.91 -119.39 4.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.14 10.44 40.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.139 0.576 . . . . 0.0 110.953 172.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.92 155.75 17.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.04 0.936 . . . . 0.0 110.069 170.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.59 113.21 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 123.136 0.574 . . . . 0.0 109.566 -169.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.0 116.2 24.89 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.355 1.462 . . . . 0.0 109.576 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.17 129.95 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.246 1.018 . . . . 0.0 109.72 -170.064 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.3 136.71 13.15 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.67 129.59 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.75 0.82 . . . . 0.0 109.197 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -129.78 80.08 1.94 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.484 -168.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.82 72.5 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.693 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' PRO . . . . . 0.409 ' O ' HG22 ' B' ' 40' ' ' VAL . 41.2 Cg_endo -60.52 156.78 39.84 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.645 1.563 . . . . 0.0 110.232 168.767 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.68 -0.87 19.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.998 0.904 . . . . 0.0 111.884 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.83 -22.16 66.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.644 1.578 . . . . 0.0 111.506 170.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 37' ' ' PRO . 14.2 m -112.27 144.06 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.373 1.069 . . . . 0.0 109.524 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.47 28.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 111.389 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.65 99.46 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.833 -166.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -143.11 168.74 19.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.88 0.872 . . . . 0.0 110.213 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.51 157.59 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.178 -0.326 . . . . 0.0 111.426 169.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -53.57 -40.08 65.31 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.482 0.713 . . . . 0.0 112.058 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -49.73 30.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.737 0.815 . . . . 0.0 111.592 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.11 -45.51 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.835 1.254 . . . . 0.0 110.817 -175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.39 -36.38 43.18 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.2 1.0 . . . . 0.0 111.856 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -68.9 -23.89 64.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.4 mpt_? -81.62 -39.66 24.13 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.064 0.847 . . . . 0.0 110.313 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.78 -40.72 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -80.27 4.27 18.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.88 -17.93 51.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.179 0.591 . . . . 0.0 111.344 168.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.31 47.66 0.1 OUTLIER Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.49 -0.616 . . . . 0.0 114.121 169.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.02 -176.95 2.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.857 0.828 . . . . 0.0 112.76 -168.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -127.26 -176.42 3.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 125.429 1.491 . . . . 0.0 109.448 168.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.95 119.0 3.13 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 123.666 0.787 . . . . 0.0 111.126 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.26 -50.12 12.02 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.921 2.414 . . . . 0.0 112.484 -169.897 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.591 0.71 . . . . 0.0 111.055 -175.472 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 101.327 -3.583 . . . . 0.0 101.327 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.21 110.49 22.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -169.256 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -85.19 130.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -123.82 137.53 54.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.834 0.854 . . . . 0.0 109.605 170.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.6 p -94.29 136.99 33.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.47 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.35 141.86 43.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.971 0.508 . . . . 0.0 110.792 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -80.26 156.37 26.87 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.635 1.174 . . . . 0.0 108.61 169.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -60.45 135.17 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.53 -3.67 81.79 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.677 1.132 . . . . 0.0 114.086 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -90.11 176.81 6.63 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.097 1.449 . . . . 0.0 112.257 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -139.13 157.78 45.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -167.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -136.82 158.01 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.799 2.44 . . . . 0.0 108.203 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -131.31 145.25 51.79 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.214 1.005 . . . . 0.0 111.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.84 139.39 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.691 1.196 . . . . 0.0 109.733 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -131.19 51.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -129.99 9.96 5.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.772 0.829 . . . . 0.0 110.985 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.01 -11.34 4.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.696 1.198 . . . . 0.0 112.966 -169.325 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.04 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.133 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.9 m -123.45 138.21 54.63 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.683 0.793 . . . . 0.0 109.691 175.048 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.46 140.71 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.993 1.317 . . . . 0.0 108.522 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.8 m -136.78 128.18 28.35 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.907 -0.496 . . . . 0.0 110.471 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.54 106.57 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.36 -33.68 28.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.02 -171.89 41.96 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 121.756 -0.259 . . . . 0.0 113.299 168.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.25 153.52 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.281 0.632 . . . . 0.0 110.737 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.4 p -143.73 110.46 5.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.082 0.953 . . . . 0.0 108.866 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.36 -124.7 35.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -169.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -95.47 -0.51 52.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.057 0.943 . . . . 0.0 112.242 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -83.89 153.12 24.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 t -131.2 121.78 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.495 1.118 . . . . 0.0 108.173 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -80.62 112.05 17.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.67 130.16 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.255 1.422 . . . . 0.0 108.9 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.52 139.46 14.41 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.524 1.059 . . . . 0.0 111.771 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.44 113.14 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 125.055 1.342 . . . . 0.0 107.826 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -123.25 94.42 4.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 110.258 -168.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.99 158.09 76.18 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.684 1.193 . . . . 0.0 109.901 -175.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.48 149.5 89.37 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.375 2.05 . . . . 0.0 110.91 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -65.35 -0.92 2.06 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.676 0.79 . . . . 0.0 112.604 173.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.9 -24.19 66.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.473 1.109 . . . . 0.0 111.491 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.57 148.33 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.15 0.98 . . . . 0.0 110.493 174.665 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.09 21.95 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.559 0.344 . . . . 0.0 111.357 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 m -136.76 129.99 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -153.12 150.28 28.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.995 0.518 . . . . 0.0 111.089 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -71.09 157.72 37.7 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 167.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.55 -34.58 72.85 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -168.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.92 -23.01 64.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.3 mm -94.06 -35.61 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.605 0.762 . . . . 0.0 110.735 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -52.84 -33.95 51.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.171 0.989 . . . . 0.0 112.586 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.53 -27.66 68.77 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.509 0.724 . . . . 0.0 112.622 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -69.14 -36.0 76.98 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.231 0.612 . . . . 0.0 111.644 172.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.412 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp . . . . . 0 N--CA 1.454 -0.23 0 O-C-N 122.027 -0.421 . . . . 0.0 110.043 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttp . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.97 124.92 50.55 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.798 1.639 . . . . 0.0 108.938 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.45 136.98 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.214 1.006 . . . . 0.0 109.799 -169.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -136.87 162.38 33.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.943 1.297 . . . . 0.0 111.582 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.91 113.45 23.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 165.371 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.406 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.7 OUTLIER -114.6 144.17 43.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 168.12 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -78.43 161.12 27.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 110.11 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -54.28 135.3 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.441 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.27 78.1 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.42 1.01 . . . . 0.0 114.186 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -99.88 171.83 7.62 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.043 1.421 . . . . 0.0 112.169 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -129.4 155.76 45.15 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -168.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' D' ' 6' ' ' ARG . 30.4 mt -140.75 158.07 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 126.5 1.92 . . . . 0.0 109.199 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -130.07 149.5 51.76 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.669 1.188 . . . . 0.0 111.71 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.4 mt -135.33 134.2 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 125.055 1.342 . . . . 0.0 109.228 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.48 -134.53 52.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.49 9.95 5.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.961 0.905 . . . . 0.0 112.441 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -124.04 -14.22 7.14 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.82 134.6 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.983 0.81 . . . . 0.0 110.923 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -125.06 144.79 50.23 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.201 1.001 . . . . 0.0 109.865 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.43 140.92 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.164 1.386 . . . . 0.0 108.282 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -134.99 125.59 26.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -81.53 107.92 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 mt -83.17 -30.9 27.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.09 -0.381 . . . . 0.0 110.56 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.91 -177.65 40.34 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.472 -0.394 . . . . 0.0 113.382 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -108.75 160.56 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.217 0.607 . . . . 0.0 111.567 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -142.6 79.85 1.67 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.426 1.49 . . . . 0.0 108.162 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -114.93 5.8 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.7 -15.62 34.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.055 0.942 . . . . 0.0 111.105 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.44 159.16 21.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.363 0.602 . . . . 0.0 112.227 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 17.6 t -141.0 122.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.307 1.043 . . . . 0.0 108.454 -172.533 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -82.33 120.1 24.98 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.295 0.638 . . . . 0.0 109.917 171.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -125.9 118.34 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.081 0.953 . . . . 0.0 109.468 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.22 143.2 23.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.357 1.456 . . . . 0.0 110.909 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.6 138.58 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.53 97.19 3.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -172.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.24 153.02 79.23 Favored Pre-proline 0 N--CA 1.451 -0.382 0 C-N-CA 124.599 1.159 . . . . 0.0 109.478 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -60.88 150.21 84.56 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.18 1.92 . . . . 0.0 110.593 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -69.05 -0.9 6.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 174.709 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.07 -22.58 65.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.749 1.22 . . . . 0.0 111.357 168.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -124.22 159.03 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.318 1.047 . . . . 0.0 110.585 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.34 157.04 17.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.299 0.64 . . . . 0.0 112.079 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.98 128.32 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 O-C-N 121.688 -0.633 . . . . 0.0 110.604 168.852 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -149.58 167.7 25.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.917 0.887 . . . . 0.0 111.353 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -64.94 157.7 27.39 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 167.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -63.25 -34.84 78.53 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.476 -0.765 . . . . 0.0 111.522 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -27.71 67.61 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.473 0.709 . . . . 0.0 112.728 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -84.3 -37.5 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.017 0.927 . . . . 0.0 110.912 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -53.1 -37.44 61.71 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.064 0.946 . . . . 0.0 111.806 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.08 -21.04 64.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.68 1.192 . . . . 0.0 113.579 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.35 -34.36 42.18 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.378 1.071 . . . . 0.0 110.696 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.598 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.455 -0.193 0 C-N-CA 125.933 1.693 . . . . 0.0 109.213 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.35 144.53 46.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.281 1.033 . . . . 0.0 110.05 -177.012 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.49 126.78 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 170.205 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.61 163.67 19.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.559 1.544 . . . . 0.0 110.422 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.46 126.81 33.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 168.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' E' ' 6' ' ' ARG . 3.5 tpm_? -135.24 128.67 32.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.309 1.044 . . . . 0.0 109.752 -169.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -88.08 163.88 16.02 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 119.399 1.0 . . . . 0.0 112.753 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -59.27 137.92 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.173 -174.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.84 -5.44 82.08 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.037 -0.868 . . . . 0.0 114.21 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -96.36 -178.96 4.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.9 1.35 . . . . 0.0 111.535 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.51 160.96 37.68 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mm -133.63 155.71 40.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 127.731 2.412 . . . . 0.0 108.105 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.34 150.76 50.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.17 -0.956 . . . . 0.0 113.399 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -138.14 139.32 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.765 1.226 . . . . 0.0 109.219 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.23 -137.03 47.84 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -125.06 8.47 8.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.191 0.997 . . . . 0.0 111.605 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -136.31 -7.02 2.02 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.55 133.94 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 118.77 0.714 . . . . 0.0 110.771 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -126.85 142.57 51.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.442 1.097 . . . . 0.0 110.044 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -121.51 137.25 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 108.125 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 53.9 m -133.28 126.71 32.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 109.705 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.02 99.71 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.35 -30.44 68.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.962 -0.461 . . . . 0.0 110.904 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.2 -169.14 33.69 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.038 0.351 . . . . 0.0 113.484 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -125.28 158.84 33.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.645 0.778 . . . . 0.0 112.504 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -146.52 89.97 1.89 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.922 1.289 . . . . 0.0 109.46 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.92 -104.3 1.69 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 -176.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -100.45 -15.7 17.82 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.253 0.621 . . . . 0.0 111.798 171.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.07 146.48 39.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.627 0.727 . . . . 0.0 109.344 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -140.0 108.01 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -87.89 123.23 32.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.25 130.21 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.833 0.853 . . . . 0.0 110.335 -168.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.11 138.36 14.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.66 132.2 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.348 1.059 . . . . 0.0 109.152 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -132.14 98.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -172.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.4 155.33 80.85 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.671 1.188 . . . . 0.0 110.322 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.02 157.76 42.34 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.75 2.3 . . . . 0.0 112.107 172.675 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -71.6 -1.01 12.08 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.449 0.7 . . . . 0.0 112.63 172.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.74 -22.8 66.04 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.654 1.182 . . . . 0.0 111.754 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -122.49 158.64 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.046 0.938 . . . . 0.0 110.733 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.66 158.21 16.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.896 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.99 129.4 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.029 0.532 . . . . 0.0 110.239 169.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -151.2 169.29 22.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.2 1.0 . . . . 0.0 110.317 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -64.6 156.27 30.56 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.32 -23.83 67.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.145 -0.347 . . . . 0.0 111.254 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.13 -50.41 69.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.18 0.992 . . . . 0.0 111.029 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -79.32 -33.15 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.77 -35.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.673 0.789 . . . . 0.0 112.272 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.34 -25.18 64.07 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.147 0.579 . . . . 0.0 112.522 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -72.15 -25.97 61.92 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.025 0.53 . . . . 0.0 110.297 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 51' ' ' ILE . . . . . 0.4 HG21 HD13 ' E' ' 51' ' ' ILE . 90.6 mt -98.91 -29.68 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.32 1.048 . . . . 0.0 110.912 -169.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 176.93 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.254 0.073 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -94.79 150.22 20.43 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.074 0.55 . . . . 0.0 111.571 174.058 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.58 132.37 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 169.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -129.91 159.4 36.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.014 1.326 . . . . 0.0 109.937 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -130.39 102.19 6.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' F' ' 12' ' ' ILE . 1.2 mmp_? -104.86 162.02 13.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.542 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -118.15 173.43 6.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 169.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -57.06 135.31 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.818 -169.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.0 -4.36 78.07 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.357 0.98 . . . . 0.0 114.185 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -99.57 171.59 7.83 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.651 1.225 . . . . 0.0 112.329 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -138.31 166.84 23.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.419 HD11 ' HG3' ' F' ' 6' ' ' ARG . 13.4 mt -152.18 156.41 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 128.455 2.702 . . . . 0.0 107.402 -169.787 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -136.25 152.35 50.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.47 -0.768 . . . . 0.0 112.534 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.37 141.39 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.721 1.208 . . . . 0.0 108.878 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.52 -134.36 52.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -174.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.67 10.11 6.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.422 1.089 . . . . 0.0 112.399 174.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -133.33 -17.26 2.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -100.35 137.67 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.285 0.948 . . . . 0.0 110.871 -171.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -132.58 139.55 47.86 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.395 1.078 . . . . 0.0 110.132 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.5 mm -121.17 143.18 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.906 1.282 . . . . 0.0 108.621 175.028 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -138.96 128.54 24.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.609 0.764 . . . . 0.0 109.923 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.21 117.71 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -86.37 -30.62 22.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.177 0.591 . . . . 0.0 111.055 -176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.93 -175.28 33.75 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 122.888 0.28 . . . . 0.0 113.507 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.84 157.93 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 123.102 0.561 . . . . 0.0 112.154 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -149.98 103.45 3.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.443 1.097 . . . . 0.0 109.118 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.44 -114.22 6.32 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -96.59 -15.24 21.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.177 0.489 . . . . 0.0 112.189 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.73 142.3 38.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.531 0.732 . . . . 0.0 110.386 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.7 t -132.48 113.79 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -174.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -88.4 127.51 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.425 0.69 . . . . 0.0 109.52 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -133.21 135.31 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.905 0.882 . . . . 0.0 110.555 -168.051 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.82 138.72 14.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.243 0.925 . . . . 0.0 111.102 170.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.4 mt -130.99 130.17 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.627 1.171 . . . . 0.0 108.732 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -133.3 108.57 8.82 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.053 0.541 . . . . 0.0 109.72 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.63 158.74 74.84 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 124.01 0.924 . . . . 0.0 111.257 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.08 162.42 32.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.927 2.418 . . . . 0.0 112.239 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.1 -11.39 58.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.569 0.748 . . . . 0.0 112.61 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -19.79 66.16 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.034 1.334 . . . . 0.0 112.627 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -128.21 164.79 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.848 0.859 . . . . 0.0 111.224 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 162.53 13.53 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.733 172.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -154.95 119.92 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.68 0.792 . . . . 0.0 110.078 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.56 176.16 12.01 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.695 0.798 . . . . 0.0 110.658 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -80.38 163.88 23.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.83 -0.544 . . . . 0.0 110.104 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.16 -31.18 68.75 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.912 0.485 . . . . 0.0 112.261 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -47.59 78.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.9 0.88 . . . . 0.0 111.443 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -86.84 -29.95 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.643 0.777 . . . . 0.0 110.327 -170.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -50.95 -36.7 40.17 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.298 1.039 . . . . 0.0 112.693 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.59 -21.93 63.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 112.395 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.48 -22.95 53.85 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.808 0.843 . . . . 0.0 110.737 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.498 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.4 mp . . . . . 0 N--CA 1.455 -0.183 0 C-N-CA 124.822 1.249 . . . . 0.0 109.84 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.0 ttp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.24 110.06 22.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.67 0.788 . . . . 0.0 109.534 -175.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -92.64 135.88 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -131.58 162.28 30.7 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.971 0.908 . . . . 0.0 110.169 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.8 m -126.18 100.81 6.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.67 139.45 52.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.363 1.065 . . . . 0.0 110.237 -167.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -106.78 161.09 14.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.008 0.367 . . . . 0.0 110.174 -169.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -49.55 125.26 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.926 0.49 . . . . 0.0 110.034 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.31 -7.12 80.8 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.375 0.988 . . . . 0.0 114.994 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -76.58 155.44 33.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.087 1.444 . . . . 0.0 111.645 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -128.78 147.19 50.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.627 0.771 . . . . 0.0 112.232 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 19.0 mm -124.66 156.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.647 1.979 . . . . 0.0 108.09 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -132.23 136.76 47.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.955 0.902 . . . . 0.0 110.247 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -132.68 130.69 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.187 0.995 . . . . 0.0 109.673 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.7 -130.68 36.99 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -126.65 2.31 6.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.664 0.785 . . . . 0.0 112.242 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -134.72 -13.53 2.22 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.2 135.78 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.074 0.852 . . . . 0.0 110.763 -173.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -130.07 141.51 50.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.414 1.086 . . . . 0.0 109.498 172.474 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -123.35 137.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.49 1.116 . . . . 0.0 108.771 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -129.64 143.38 50.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.906 0.882 . . . . 0.0 109.895 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -98.01 112.64 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 168.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.87 -23.12 39.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -169.14 36.74 Favored Glycine 0 C--N 1.338 0.658 0 C-N-CA 123.284 0.469 . . . . 0.0 113.259 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.53 155.9 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.66 0.784 . . . . 0.0 111.497 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -138.76 62.17 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.973 1.309 . . . . 0.0 109.575 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.26 -120.67 9.54 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -173.618 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.64 -4.87 51.13 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.457 0.703 . . . . 0.0 112.1 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.91 160.75 14.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.017 0.913 . . . . 0.0 112.344 169.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.59 126.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 126.38 1.872 . . . . 0.0 108.12 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -104.89 101.85 11.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.673 0.789 . . . . 0.0 110.371 -175.128 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 mt -107.63 139.39 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.816 1.646 . . . . 0.0 109.753 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.61 142.23 17.47 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 124.101 0.857 . . . . 0.0 111.441 169.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.51 138.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.224 1.41 . . . . 0.0 108.31 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -126.92 75.03 1.54 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.519 1.127 . . . . 0.0 109.242 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.85 44.47 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 125.151 1.38 . . . . 0.0 110.697 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.93 155.22 53.28 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.503 2.135 . . . . 0.0 110.525 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -68.58 -4.66 16.13 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.4 -23.11 63.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.934 0.894 . . . . 0.0 111.942 169.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -120.08 144.06 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.097 0.951 . . . . 0.0 111.849 174.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.76 143.08 38.28 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.406 1.082 . . . . 0.0 111.359 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.4 t -127.19 120.45 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.318 0.647 . . . . 0.0 109.549 170.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -149.27 -175.97 5.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.79 0.836 . . . . 0.0 110.69 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.38 165.87 23.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.686 171.246 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -24.02 67.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -169.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 40.1 tt0 -64.01 -20.06 65.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.326 1.051 . . . . 0.0 112.377 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.86 -25.12 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.492 1.517 . . . . 0.0 110.847 -173.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HA ' HD12 ' A' ' 51' ' ' ILE . 63.6 t80 -60.2 -31.28 70.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 120.415 -1.428 . . . . 0.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.55 -9.87 59.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.732 0.813 . . . . 0.0 112.021 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.0 -26.47 21.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.138 0.975 . . . . 0.0 111.158 169.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 48' ' ' TYR . 75.4 mt -69.65 -50.84 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.112 0.965 . . . . 0.0 109.191 173.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.793 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.678 -0.201 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -115.35 124.06 50.28 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.143 1.377 . . . . 0.0 107.298 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.29 140.56 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -165.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt -136.91 141.57 42.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.202 1.401 . . . . 0.0 110.841 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 m -120.23 104.8 10.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -129.8 163.26 26.63 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.939 0.896 . . . . 0.0 110.633 -170.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -97.37 170.21 9.22 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -64.74 134.13 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.743 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.37 -2.79 68.39 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.352 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -85.91 161.81 18.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.917 1.359 . . . . 0.0 111.906 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -129.44 146.92 51.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.415 0.686 . . . . 0.0 111.878 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 11.1 mt -130.44 153.78 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.729 1.612 . . . . 0.0 109.074 -172.259 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -136.18 141.47 44.06 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.639 -0.663 . . . . 0.0 112.218 -169.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -134.6 131.11 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.88 0.872 . . . . 0.0 109.931 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.05 -136.95 50.82 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.74 4.92 7.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.931 0.893 . . . . 0.0 112.602 173.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -115.64 -16.88 11.24 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.18 134.97 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 119.315 0.961 . . . . 0.0 111.368 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -132.78 151.0 52.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.863 1.265 . . . . 0.0 109.961 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.93 147.6 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.289 1.836 . . . . 0.0 108.043 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -138.54 125.99 21.85 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.914 0.485 . . . . 0.0 110.057 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.44 103.21 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -73.06 -31.24 64.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.195 -0.315 . . . . 0.0 110.674 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 168.99 20.63 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.63 146.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.542 0.687 . . . . 0.0 110.165 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -125.31 70.36 1.17 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.156 1.382 . . . . 0.0 107.411 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.04 -123.69 6.19 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.241 -171.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.41 8.23 41.35 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.102 0.561 . . . . 0.0 110.961 172.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -98.96 154.05 18.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 109.263 170.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.6 113.36 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.71 119.12 26.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.741 1.217 . . . . 0.0 109.524 -179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.61 133.32 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.79 0.836 . . . . 0.0 110.047 -169.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.75 137.32 13.61 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.0 mt -117.28 132.66 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.816 0.817 . . . . 0.0 109.192 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -132.26 77.24 1.74 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.602 -167.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 156.84 63.03 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.404 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.93 156.09 30.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.768 1.646 . . . . 0.0 110.554 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.36 -0.67 3.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.32 0.648 . . . . 0.0 112.175 169.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.536 1.535 . . . . 0.0 111.512 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -114.49 144.09 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.455 1.102 . . . . 0.0 110.532 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.37 142.97 28.92 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.433 0.635 . . . . 0.0 111.499 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.38 99.7 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.295 -166.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.91 163.22 36.82 Favored 'General case' 0 CA--C 1.524 -0.048 0 C-N-CA 123.163 0.585 . . . . 0.0 112.14 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.4 ptm180 -71.51 158.34 36.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.012 0.525 . . . . 0.0 111.397 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -51.04 -41.84 60.11 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.859 0.864 . . . . 0.0 112.277 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -47.99 -48.66 32.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.835 0.454 . . . . 0.0 110.956 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mm -76.69 -47.53 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 125.058 1.343 . . . . 0.0 110.01 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.21 -38.03 50.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.464 1.106 . . . . 0.0 111.874 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.12 -25.58 65.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -82.17 -39.11 23.66 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.053 0.842 . . . . 0.0 110.587 172.155 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.6 -40.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -80.67 4.94 17.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.52 -9.98 59.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.45 0.7 . . . . 0.0 112.459 169.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.65 43.97 0.23 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.888 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.25 -175.53 2.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.689 0.744 . . . . 0.0 112.628 -167.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.1 p -130.84 177.77 7.17 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.221 1.408 . . . . 0.0 109.099 167.214 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.25 122.86 0.88 Allowed Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 124.678 1.191 . . . . 0.0 111.923 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.31 151.85 21.58 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.634 2.889 . . . . 0.0 113.376 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 CA--C 1.529 0.172 0 C-N-CA 124.284 1.033 . . . . 0.0 113.499 170.314 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.2 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.79 105.56 9.05 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 126.567 1.947 . . . . 0.0 106.119 164.757 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -82.68 137.63 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.431 1.092 . . . . 0.0 109.922 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -133.11 140.83 47.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.721 1.208 . . . . 0.0 110.186 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -103.07 128.4 49.97 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.835 0.454 . . . . 0.0 110.81 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.425 ' CG ' HD11 ' C' ' 12' ' ' ILE . 21.6 mmm180 -120.52 153.82 36.17 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.442 0.697 . . . . 0.0 110.39 174.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.528 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -90.39 162.04 15.3 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 167.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.8 139.45 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 O-C-N 120.909 -1.12 . . . . 0.0 111.754 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.5 89.39 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.753 1.168 . . . . 0.0 113.781 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -90.58 166.78 13.01 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.966 1.383 . . . . 0.0 112.006 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -128.63 162.89 26.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -169.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' C' ' 6' ' ' ARG . 12.1 mt -140.75 160.64 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 127.293 2.237 . . . . 0.0 108.221 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -131.04 147.36 52.62 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.718 1.207 . . . . 0.0 111.36 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.53 139.63 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.546 1.139 . . . . 0.0 108.999 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.37 -137.46 49.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.62 8.01 9.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.007 0.923 . . . . 0.0 111.58 170.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.97 -9.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.069 0.947 . . . . 0.0 112.952 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.28 138.07 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.366 0.666 . . . . 0.0 110.739 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -130.77 146.18 52.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.94 1.296 . . . . 0.0 109.372 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -127.07 143.98 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.249 1.419 . . . . 0.0 108.146 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -134.27 129.0 34.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.848 0.459 . . . . 0.0 109.92 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.456 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -84.83 112.25 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 169.118 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.73 -45.56 14.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.666 -0.647 . . . . 0.0 110.138 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.12 177.67 47.77 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.072 168.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -112.85 150.58 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.112 0.565 . . . . 0.0 110.846 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -146.22 108.64 4.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 169.399 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.93 -142.07 30.23 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.409 -169.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -84.55 0.41 50.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.25 1.02 . . . . 0.0 110.84 168.08 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.98 145.86 27.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.848 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.456 HG13 HD11 ' C' ' 22' ' ' ILE . 38.7 t -133.55 116.28 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -78.82 114.94 18.18 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mt -119.64 133.45 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.899 1.279 . . . . 0.0 109.08 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.3 142.12 15.42 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.543 1.068 . . . . 0.0 112.115 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -122.9 130.98 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.848 1.259 . . . . 0.0 108.641 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -126.37 97.69 5.15 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.434 0.694 . . . . 0.0 109.718 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.43 156.07 80.52 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.168 0.987 . . . . 0.0 110.324 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.86 151.91 83.09 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.76 2.306 . . . . 0.0 110.946 170.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.96 -0.89 3.44 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.219 0.608 . . . . 0.0 112.578 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.91 -22.08 66.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.352 1.061 . . . . 0.0 111.211 168.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -126.38 152.9 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.366 1.066 . . . . 0.0 110.714 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.63 155.43 19.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.831 0.453 . . . . 0.0 111.679 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.56 133.06 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.239 0.616 . . . . 0.0 109.798 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -154.23 167.59 29.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.538 0.735 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ARG . . . . . 0.485 ' HA ' HD13 ' D' ' 12' ' ' ILE . 83.8 mtm-85 -75.79 159.87 30.58 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 166.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.19 -32.85 71.48 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 118.299 0.499 . . . . 0.0 111.527 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -57.97 -47.68 82.23 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.973 0.909 . . . . 0.0 111.787 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.66 -30.99 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.36 0.664 . . . . 0.0 110.74 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -53.44 -36.91 62.07 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.293 1.037 . . . . 0.0 111.892 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.97 -25.87 67.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.573 0.749 . . . . 0.0 112.585 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -73.19 -39.4 65.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.347 0.659 . . . . 0.0 111.726 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.455 -0.212 0 O-C-N 121.995 -0.441 . . . . 0.0 109.834 176.166 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.542 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.2 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.9 109.49 15.17 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.722 1.609 . . . . 0.0 109.232 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.542 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -102.64 143.27 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 125.578 1.551 . . . . 0.0 110.358 -174.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 4' ' ' LEU . . . . . 0.414 HD22 HH11 ' C' ' 44' ' ' ARG . 94.1 mt -140.92 166.05 25.84 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 125.485 1.514 . . . . 0.0 111.419 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.83 112.34 23.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.78 0.832 . . . . 0.0 109.118 166.045 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.93 144.5 36.79 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.237 0.615 . . . . 0.0 111.12 169.301 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -86.06 161.4 18.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.227 0.611 . . . . 0.0 109.8 168.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.624 HG11 HG12 ' D' ' 25' ' ' VAL . 22.7 m -51.81 138.41 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 168.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.55 -0.05 86.62 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.191 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -99.25 171.7 7.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.581 1.19 . . . . 0.0 111.885 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -136.43 158.76 43.66 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' C' ' 44' ' ' ARG . 36.9 mm -141.07 155.28 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 128.075 2.55 . . . . 0.0 108.096 -172.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -133.33 150.16 51.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.312 -0.868 . . . . 0.0 112.319 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.95 139.79 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.769 1.228 . . . . 0.0 109.163 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.76 -135.62 51.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -128.77 10.04 5.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 112.6 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -131.94 -6.9 3.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -115.28 136.4 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.203 0.91 . . . . 0.0 111.02 -171.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 37.0 m -128.4 147.06 50.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.76 1.224 . . . . 0.0 109.846 175.215 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.04 140.66 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.376 1.471 . . . . 0.0 108.228 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 52.0 m -137.21 127.52 26.42 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.241 0.616 . . . . 0.0 109.514 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.07 107.41 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 mt -79.82 -30.38 40.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.842 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.72 -175.95 43.72 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 120.988 0.215 . . . . 0.0 113.203 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.624 HG12 HG11 ' D' ' 8' ' ' VAL . 8.9 p -132.21 132.77 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.619 1.167 . . . . 0.0 110.064 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -135.36 90.3 2.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.936 1.294 . . . . 0.0 108.988 -173.292 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.47 -119.74 9.56 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.587 -0.696 . . . . 0.0 111.559 -172.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.528 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.5 mp0 -93.2 -11.07 33.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.866 0.866 . . . . 0.0 110.575 174.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -77.52 149.29 34.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.442 0.639 . . . . 0.0 111.407 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.0 120.01 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 107.055 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.83 109.19 21.2 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.07 0.948 . . . . 0.0 108.823 -173.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.1 127.15 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.633 0.773 . . . . 0.0 109.938 -169.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.26 137.66 13.49 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 124.169 0.89 . . . . 0.0 110.988 173.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 34' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' C' ' 1' ' ' MET . 5.2 mp -122.57 141.99 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.792 0.837 . . . . 0.0 109.06 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.06 102.98 4.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.637 0.775 . . . . 0.0 109.283 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.7 156.81 72.81 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.582 1.153 . . . . 0.0 109.304 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.72 151.66 82.57 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.235 1.956 . . . . 0.0 110.828 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -70.27 -1.07 9.28 Favored 'General case' 0 CA--C 1.526 0.029 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -20.9 65.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.872 1.269 . . . . 0.0 111.518 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -126.41 160.06 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.391 1.076 . . . . 0.0 110.854 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.34 157.1 16.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -149.78 122.66 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.116 0.566 . . . . 0.0 109.89 167.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -149.41 162.61 39.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.628 0.771 . . . . 0.0 111.03 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -60.54 155.37 18.73 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 122.921 0.488 . . . . 0.0 109.72 169.344 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -64.28 -26.27 68.41 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.796 0.725 . . . . 0.0 111.879 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.03 -18.65 59.17 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -98.62 -33.54 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.879 1.272 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.55 -44.11 72.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.94 0.896 . . . . 0.0 110.391 172.063 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -65.82 -23.94 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -74.84 -42.18 58.46 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.699 0.681 . . . . 0.0 110.628 171.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 178.287 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.93 136.0 51.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.364 1.865 . . . . 0.0 108.315 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 mm -113.8 137.95 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.25 1.02 . . . . 0.0 109.084 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 tp -154.37 140.88 18.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.126 0.57 . . . . 0.0 110.544 -168.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 138.15 51.07 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.599 0.76 . . . . 0.0 110.031 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -142.62 124.31 15.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.155 0.982 . . . . 0.0 109.633 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -90.26 165.1 14.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.891 1.223 . . . . 0.0 112.063 171.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -59.14 138.21 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.15 -169.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.06 -3.87 84.59 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 123.94 0.781 . . . . 0.0 114.391 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -94.28 176.61 6.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.624 1.212 . . . . 0.0 111.068 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.9 m -141.08 158.9 43.29 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -137.82 155.95 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 126.949 2.1 . . . . 0.0 108.583 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -133.25 151.18 51.91 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.331 -0.855 . . . . 0.0 112.828 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -137.16 143.75 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.666 1.186 . . . . 0.0 109.142 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -138.13 49.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.16 9.98 8.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.905 0.882 . . . . 0.0 111.821 172.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -141.0 -1.06 1.42 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.6 136.01 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.975 0.807 . . . . 0.0 110.904 -174.363 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -129.15 145.52 51.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.52 1.128 . . . . 0.0 110.17 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -126.19 138.08 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.721 1.608 . . . . 0.0 108.179 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.3 m -134.51 130.06 36.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.947 0.499 . . . . 0.0 110.072 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -82.91 106.69 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.21 -28.67 60.06 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.043 0.537 . . . . 0.0 110.92 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 -172.32 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.75 0.69 . . . . 0.0 113.399 169.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.33 157.25 27.04 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 123.625 0.77 . . . . 0.0 111.926 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -146.62 92.02 2.1 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.735 1.214 . . . . 0.0 109.451 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -116.17 5.09 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 121.56 -0.712 . . . . 0.0 111.566 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -86.35 -13.08 47.53 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.764 0.782 . . . . 0.0 110.811 169.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.1 154.3 29.48 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.624 0.726 . . . . 0.0 110.81 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -146.58 104.56 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 126.899 2.079 . . . . 0.0 105.389 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -86.22 123.44 31.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.38 137.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 C-N-CA 123.191 0.596 . . . . 0.0 111.207 -168.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.91 144.59 16.08 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.565 1.078 . . . . 0.0 111.841 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.73 131.14 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.359 1.464 . . . . 0.0 108.79 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -132.78 100.2 4.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -172.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.3 155.82 75.56 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.794 1.238 . . . . 0.0 110.267 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.18 158.13 31.85 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.59 2.193 . . . . 0.0 111.669 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -69.17 -0.98 6.72 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.435 0.694 . . . . 0.0 112.572 169.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.93 -23.35 67.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.194 1.397 . . . . 0.0 111.988 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.3 157.85 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 110.986 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.72 156.69 16.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.976 0.51 . . . . 0.0 111.876 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.09 125.76 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.151 0.581 . . . . 0.0 110.826 171.093 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -152.13 171.09 18.44 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.401 1.081 . . . . 0.0 110.925 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -68.15 159.64 30.63 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.743 -0.598 . . . . 0.0 109.473 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.51 -25.22 65.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.277 0.231 . . . . 0.0 111.435 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -66.04 -51.64 56.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.993 0.917 . . . . 0.0 111.469 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.68 -30.88 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 109.778 -175.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -56.18 -35.29 67.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.587 0.755 . . . . 0.0 112.531 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.18 -25.68 63.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.734 -0.604 . . . . 0.0 112.265 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.07 -24.02 60.62 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.094 0.557 . . . . 0.0 110.209 175.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 83.5 mt -99.07 -27.88 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.321 1.448 . . . . 0.0 112.112 -173.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 175.59 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.484 0.183 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -97.29 148.89 22.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.073 0.549 . . . . 0.0 111.337 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.07 136.46 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.948 0.899 . . . . 0.0 108.905 171.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt -132.91 159.57 39.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.714 1.206 . . . . 0.0 109.846 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -128.59 98.03 4.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.299 169.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.566 ' HD3' HD11 ' F' ' 12' ' ' ILE . 3.0 ttp180 -105.01 162.18 13.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.079 1.752 . . . . 0.0 110.968 -177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -122.92 173.41 7.81 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -53.17 134.79 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.883 -172.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.58 73.73 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.287 0.946 . . . . 0.0 114.889 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.39 172.62 9.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.458 1.629 . . . . 0.0 112.864 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.98 155.02 48.34 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.495 -0.753 . . . . 0.0 112.82 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.566 HD11 ' HD3' ' F' ' 6' ' ' ARG . 48.5 mm -128.11 157.26 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.857 2.063 . . . . 0.0 108.236 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -128.45 150.4 50.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.37 0.668 . . . . 0.0 112.125 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 mt -134.6 143.8 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.66 1.184 . . . . 0.0 108.963 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.26 -134.93 51.92 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -125.56 10.03 7.82 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.049 0.939 . . . . 0.0 111.61 174.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -141.58 -11.94 0.9 Allowed 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.98 136.69 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 119.133 0.879 . . . . 0.0 110.502 -173.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -129.33 144.07 51.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.374 1.069 . . . . 0.0 110.39 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -124.9 142.25 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.497 1.519 . . . . 0.0 108.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 58.7 m -139.48 141.14 37.38 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.642 0.777 . . . . 0.0 110.373 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -99.1 108.91 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.46 -32.75 48.55 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.897 0.479 . . . . 0.0 110.399 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.19 -177.7 35.64 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.173 0.416 . . . . 0.0 113.104 169.047 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.81 153.93 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.303 0.641 . . . . 0.0 111.782 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -141.57 89.94 2.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.919 1.288 . . . . 0.0 109.247 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.63 -103.98 1.29 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.947 -0.471 . . . . 0.0 111.938 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -98.9 -21.98 16.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.518 0.659 . . . . 0.0 112.037 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.8 147.24 47.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.54 0.686 . . . . 0.0 110.222 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -135.91 114.59 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -89.39 123.67 33.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -128.5 141.75 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.677 1.191 . . . . 0.0 109.877 -167.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.69 138.54 14.77 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 170.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -127.0 138.53 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.017 0.927 . . . . 0.0 109.541 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -136.3 102.19 4.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.669 0.788 . . . . 0.0 109.759 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.48 158.36 70.01 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.276 1.031 . . . . 0.0 111.458 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.87 162.68 31.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.934 2.422 . . . . 0.0 112.389 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.37 -4.66 27.42 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.557 0.743 . . . . 0.0 112.694 172.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.48 -17.55 62.97 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.754 1.222 . . . . 0.0 112.482 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -129.69 167.91 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.018 0.927 . . . . 0.0 111.257 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.2 163.74 12.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.811 0.844 . . . . 0.0 111.396 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.1 125.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.395 173.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -152.89 177.54 10.64 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.906 0.882 . . . . 0.0 110.596 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -76.99 166.32 23.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.814 -0.554 . . . . 0.0 109.808 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -59.56 -29.3 67.83 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -61.18 -54.03 49.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.347 0.659 . . . . 0.0 110.835 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.93 -31.12 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 122.947 0.499 . . . . 0.0 110.405 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -50.33 -35.24 26.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.198 0.999 . . . . 0.0 113.034 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -60.24 -21.97 62.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.978 0.911 . . . . 0.0 112.395 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -75.64 -45.77 35.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.505 0.722 . . . . 0.0 109.502 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.518 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.674 1.189 . . . . 0.0 110.228 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tmm? . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 113.98 27.84 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.707 0.685 . . . . 0.0 109.79 -174.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.45 140.07 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.224 1.01 . . . . 0.0 110.522 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.0 mt -133.48 160.75 36.48 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.333 1.053 . . . . 0.0 109.862 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -127.99 100.86 6.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -127.06 142.76 51.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.824 -0.548 . . . . 0.0 110.788 -169.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -96.48 162.48 13.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.584 1.154 . . . . 0.0 110.25 -168.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG11 HG13 ' A' ' 25' ' ' VAL . 31.9 m -62.32 129.3 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 119.85 -0.74 . . . . 0.0 112.086 -169.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.9 57.02 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.412 1.005 . . . . 0.0 114.174 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -90.25 164.15 14.5 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.847 1.323 . . . . 0.0 111.942 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -133.71 147.71 51.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -169.322 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.8 mm -114.19 154.69 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 125.442 1.497 . . . . 0.0 109.956 174.396 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -127.39 136.66 52.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.1 0.96 . . . . 0.0 110.643 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mt -131.85 130.55 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.511 1.125 . . . . 0.0 109.427 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.43 -129.5 25.56 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -130.0 3.56 4.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.861 0.864 . . . . 0.0 112.431 172.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -135.15 -13.35 2.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -169.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.42 138.97 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.935 0.789 . . . . 0.0 110.416 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -136.31 146.82 47.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.655 0.782 . . . . 0.0 109.049 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -125.54 141.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.626 1.171 . . . . 0.0 107.954 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -136.12 125.98 25.76 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.439 HD12 HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -86.0 105.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.011 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -33.62 64.85 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -169.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -170.97 38.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 165.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG13 HG11 ' A' ' 8' ' ' VAL . 21.5 m -91.23 160.37 2.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 C-N-CA 124.4 1.08 . . . . 0.0 111.973 -172.329 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -151.08 60.95 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.007 0.923 . . . . 0.0 110.623 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.64 -132.98 12.45 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -86.42 19.91 2.62 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.839 0.855 . . . . 0.0 111.901 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -129.15 153.0 48.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.006 1.322 . . . . 0.0 110.928 171.087 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.83 134.6 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.866 1.666 . . . . 0.0 109.9 -167.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -98.45 101.92 13.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.727 0.811 . . . . 0.0 110.027 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -107.07 134.33 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.279 1.431 . . . . 0.0 109.281 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.0 139.74 15.69 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.039 0.828 . . . . 0.0 111.749 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.47 138.83 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.17 1.388 . . . . 0.0 108.747 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -126.31 74.96 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.758 1.223 . . . . 0.0 109.65 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.72 153.52 45.92 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.991 175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -75.51 155.84 40.66 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.816 2.344 . . . . 0.0 110.633 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.41 -4.08 13.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -68.72 -25.57 64.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.961 0.905 . . . . 0.0 112.003 169.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -117.15 144.07 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.805 0.812 . . . . 0.0 111.653 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.33 143.09 32.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.75 0.82 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.54 127.99 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.708 0.403 . . . . 0.0 110.205 171.418 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -151.66 -175.99 5.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 110.011 -171.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.44 168.07 15.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 170.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.32 -41.87 66.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.879 1.272 . . . . 0.0 112.338 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.89 -25.05 56.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.368 1.467 . . . . 0.0 112.989 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.32 -23.32 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.064 1.345 . . . . 0.0 111.086 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -62.57 -32.43 73.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.394 0.678 . . . . 0.0 110.378 -175.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -75.43 -10.59 59.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.19 0.596 . . . . 0.0 112.134 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.76 -34.21 30.55 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.205 1.002 . . . . 0.0 110.475 169.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.4 mt -63.1 -53.96 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.933 0.893 . . . . 0.0 108.633 172.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 123.9 0.88 . . . . 0.0 112.461 -174.655 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.81 -0.138 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.26 121.57 43.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -118.19 139.83 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.053 0.541 . . . . 0.0 112.077 -165.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -135.63 143.3 45.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.278 1.431 . . . . 0.0 110.716 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -120.13 102.44 8.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -130.77 151.89 50.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 123.92 0.888 . . . . 0.0 112.065 -168.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -77.3 160.07 29.11 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.646 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.13 137.09 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.04 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.09 -5.65 68.6 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.058 -0.856 . . . . 0.0 114.601 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -86.2 160.66 19.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 119.034 1.417 . . . . 0.0 112.211 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.8 m -124.87 146.43 49.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.222 1.009 . . . . 0.0 111.326 -173.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 7.4 mt -135.75 151.79 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.127 1.371 . . . . 0.0 109.157 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -135.96 143.55 44.94 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -134.91 129.73 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.414 1.085 . . . . 0.0 109.747 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.02 -136.31 51.0 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -121.35 -0.26 9.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.714 0.806 . . . . 0.0 112.348 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.78 -18.41 10.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.584 0.754 . . . . 0.0 112.973 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 133.12 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.816 0.735 . . . . 0.0 110.77 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.7 m -128.87 148.09 50.87 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.249 1.02 . . . . 0.0 109.792 169.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -126.42 146.22 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 126.027 1.731 . . . . 0.0 107.818 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -136.74 129.32 30.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.77 99.69 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 170.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -68.7 -33.08 73.33 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.048 -0.408 . . . . 0.0 110.626 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.36 -176.67 37.01 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 172.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.06 145.04 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 110.192 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -116.63 73.49 0.86 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 170.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.52 -117.92 4.9 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.649 -172.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 9.58 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.111 -0.64 . . . . 0.0 111.182 174.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.9 155.63 17.3 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.294 1.038 . . . . 0.0 109.608 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 t -134.03 117.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.57 115.7 22.75 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.868 1.267 . . . . 0.0 109.388 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.95 129.85 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.212 1.005 . . . . 0.0 109.692 -171.187 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.04 140.9 15.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -124.99 130.59 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 121.957 0.884 . . . . 0.0 109.207 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.94 74.95 1.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.264 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.57 157.53 51.59 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.255 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -60.2 154.89 48.89 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.46 1.44 . . . . 0.0 110.186 168.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -69.3 -0.7 6.59 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.795 1.238 . . . . 0.0 113.01 170.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.83 -24.84 66.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.702 1.601 . . . . 0.0 111.131 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -112.29 144.15 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.584 1.154 . . . . 0.0 110.145 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.39 143.01 28.88 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.498 0.666 . . . . 0.0 111.381 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 t -142.81 98.69 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.198 -166.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.89 162.29 36.5 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.83 0.852 . . . . 0.0 111.161 176.459 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.4 ptt-85 -68.34 155.84 38.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.046 0.539 . . . . 0.0 111.267 169.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.71 -41.55 73.98 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 123.292 0.637 . . . . 0.0 112.642 -171.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.19 -24.07 66.05 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.65 -50.18 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.023 0.929 . . . . 0.0 110.732 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -51.1 -35.66 36.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.448 1.099 . . . . 0.0 111.909 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.97 -21.25 62.34 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -79.67 -39.79 30.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 119.509 1.05 . . . . 0.0 110.23 169.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' B' ' 55' ' ' LEU . 92.0 mt -64.14 -40.54 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -80.35 4.98 16.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.91 -19.52 44.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.046 0.539 . . . . 0.0 111.566 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.91 46.68 0.08 OUTLIER Glycine 0 C--N 1.338 0.668 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.37 169.025 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.04 -176.07 2.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.944 0.872 . . . . 0.0 112.812 -168.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 32.1 p -126.33 -179.58 4.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.429 1.492 . . . . 0.0 109.462 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.79 120.01 1.7 Allowed Pre-proline 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.399 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -66.71 172.04 10.02 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.963 1.775 . . . . 0.0 114.674 -169.151 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-N 114.327 -1.306 . . . . 0.0 112.417 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.094 -0.479 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.69 107.82 17.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 168.698 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -80.74 133.25 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.511 0.724 . . . . 0.0 109.526 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.46 135.02 48.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.013 0.925 . . . . 0.0 109.143 168.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -91.5 153.07 20.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.471 ' HD3' HG13 ' C' ' 12' ' ' ILE . 15.1 ttp180 -146.03 143.63 29.55 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.5 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 5.0 tptm -99.81 148.41 24.45 Favored 'General case' 0 C--N 1.334 -0.071 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.19 133.09 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.921 0.782 . . . . 0.0 112.149 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 -10.21 65.91 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 125.313 1.435 . . . . 0.0 114.68 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -90.08 -179.63 5.72 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.595 1.698 . . . . 0.0 112.589 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.39 160.84 39.81 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -167.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.471 HG13 ' HD3' ' C' ' 6' ' ' ARG . 78.3 mt -134.92 157.11 40.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 C-N-CA 127.051 2.14 . . . . 0.0 109.148 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -123.42 146.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.583 1.153 . . . . 0.0 111.759 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -132.61 137.85 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.505 1.122 . . . . 0.0 108.864 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -136.15 50.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -123.66 8.6 8.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.157 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -128.76 -9.11 5.0 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.116 0.966 . . . . 0.0 113.381 -169.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.05 136.62 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.596 0.635 . . . . 0.0 110.512 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -128.96 141.48 51.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.536 1.134 . . . . 0.0 109.596 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -125.24 140.85 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.929 1.292 . . . . 0.0 108.344 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -131.77 135.31 46.69 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.64 0.655 . . . . 0.0 111.016 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.415 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.0 tp -84.7 104.38 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.03 -37.75 46.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.64 -172.45 41.84 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 167.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.35 162.08 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.211 0.529 . . . . 0.0 111.268 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.2 71.06 1.34 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.998 1.319 . . . . 0.0 108.729 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -109.0 2.66 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -168.56 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -96.33 -8.39 32.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.182 0.993 . . . . 0.0 112.176 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -75.88 158.58 31.91 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.83 0.824 . . . . 0.0 112.199 172.045 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -137.83 108.9 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 126.198 1.799 . . . . 0.0 106.59 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -77.48 113.06 14.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.61 128.89 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.674 1.19 . . . . 0.0 109.841 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.71 139.19 15.27 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 125.031 1.301 . . . . 0.0 110.893 169.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.5 mt -128.82 131.28 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -132.47 95.38 3.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.94 154.55 68.57 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.846 0.858 . . . . 0.0 110.425 -176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.38 154.36 68.77 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.95 2.433 . . . . 0.0 111.352 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.63 -1.01 3.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.321 0.649 . . . . 0.0 112.604 171.366 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.89 -22.84 66.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.217 1.007 . . . . 0.0 111.346 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.84 148.81 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.137 0.975 . . . . 0.0 110.653 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 154.55 21.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.716 0.406 . . . . 0.0 111.188 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.63 129.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.169 0.588 . . . . 0.0 109.553 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -155.04 156.0 35.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 118.299 0.499 . . . . 0.0 112.006 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -75.76 161.64 28.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 166.515 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -33.14 71.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.15 -45.12 87.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.626 0.77 . . . . 0.0 111.632 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -88.54 -30.62 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.306 0.642 . . . . 0.0 110.64 -172.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.0 -38.14 55.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.722 0.809 . . . . 0.0 112.252 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.95 -30.82 68.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.764 0.826 . . . . 0.0 112.511 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -70.15 -35.66 74.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.301 0.64 . . . . 0.0 111.73 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.454 -0.244 0 O-C-N 121.844 -0.535 . . . . 0.0 110.046 177.538 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mmm . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.856 -0.053 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -125.37 111.4 15.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.705 1.202 . . . . 0.0 108.346 168.209 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.71 139.0 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.786 1.234 . . . . 0.0 109.62 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.76 159.88 38.73 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.635 . . . . 0.0 112.034 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -94.61 138.48 32.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.138 0.575 . . . . 0.0 111.358 173.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.94 145.04 51.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.467 1.107 . . . . 0.0 108.688 167.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -94.77 163.44 13.35 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 118.25 0.477 . . . . 0.0 111.343 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.512 HG11 HG12 ' D' ' 25' ' ' VAL . 31.4 m -49.22 138.76 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 177.077 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.43 -1.79 84.43 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.097 0.856 . . . . 0.0 114.002 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -99.93 172.42 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.536 1.168 . . . . 0.0 112.472 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -132.0 158.34 41.76 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -169.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -143.9 164.45 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 126.909 2.084 . . . . 0.0 108.51 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -143.59 146.01 32.96 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.105 0.962 . . . . 0.0 111.78 -171.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.11 136.9 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.865 1.266 . . . . 0.0 109.158 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.2 -136.37 51.01 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -123.46 7.04 8.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.981 0.912 . . . . 0.0 111.821 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -131.15 -10.96 3.72 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.08 136.1 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.836 0.744 . . . . 0.0 110.503 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -131.14 143.8 50.91 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.422 1.089 . . . . 0.0 109.842 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -123.45 143.09 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.816 1.246 . . . . 0.0 108.354 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -133.07 129.13 37.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.536 0.735 . . . . 0.0 109.19 176.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.77 102.99 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.0 -33.07 61.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.231 0.613 . . . . 0.0 110.549 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.62 179.31 43.32 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-O 121.115 0.286 . . . . 0.0 113.171 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.512 HG12 HG11 ' D' ' 8' ' ' VAL . 7.2 p -121.95 133.1 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.639 1.176 . . . . 0.0 109.597 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -132.63 72.64 1.5 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.711 1.204 . . . . 0.0 109.523 -169.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -117.96 4.55 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.077 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.5 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -93.14 -8.72 41.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.415 0.686 . . . . 0.0 110.563 171.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -74.04 151.73 40.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.785 0.803 . . . . 0.0 111.445 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -132.88 117.32 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -92.55 111.28 22.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.096 0.958 . . . . 0.0 108.703 -175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -119.54 123.48 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.52 0.728 . . . . 0.0 110.411 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.98 132.62 11.31 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 170.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -120.48 140.03 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -138.09 100.84 4.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -174.555 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.71 154.41 81.46 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.236 1.014 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.34 149.97 82.98 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.011 1.807 . . . . 0.0 110.67 170.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -67.8 -2.87 7.92 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.202 0.601 . . . . 0.0 112.346 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 -21.59 66.43 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.855 1.262 . . . . 0.0 111.649 169.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.18 156.95 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.135 0.974 . . . . 0.0 110.622 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.34 156.96 16.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.923 0.489 . . . . 0.0 111.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.48 126.87 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 O-C-N 122.042 -0.411 . . . . 0.0 109.921 168.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -148.77 159.21 44.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 111.194 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -64.64 152.6 41.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.707 0.403 . . . . 0.0 110.046 169.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.37 -36.04 75.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.959 0.799 . . . . 0.0 112.316 -171.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.48 -28.67 67.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.95 -39.94 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.756 0.822 . . . . 0.0 110.456 174.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.81 -38.75 61.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.7 1.2 . . . . 0.0 111.817 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.12 -23.29 66.46 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.974 0.909 . . . . 0.0 113.018 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.75 -39.48 70.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.688 0.676 . . . . 0.0 110.63 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.575 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.455 -0.219 0 C-N-CA 125.917 1.687 . . . . 0.0 109.658 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.05 147.62 32.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.777 0.431 . . . . 0.0 111.368 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.84 117.58 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 170.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.98 160.44 18.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.009 1.323 . . . . 0.0 110.301 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.79 114.44 14.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 168.219 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.04 147.91 44.23 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.253 1.021 . . . . 0.0 110.025 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -94.46 168.8 10.64 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.941 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.89 139.84 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.003 0.43 . . . . 0.0 111.867 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -2.52 86.28 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 123.906 0.765 . . . . 0.0 113.979 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -91.75 174.61 7.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.651 1.225 . . . . 0.0 111.81 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 40.5 m -136.05 157.6 46.45 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -174.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mm -137.41 149.65 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 127.542 2.337 . . . . 0.0 107.753 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -130.35 152.99 49.16 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 119.62 1.1 . . . . 0.0 113.493 -174.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.89 139.21 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 125.12 1.368 . . . . 0.0 109.559 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.43 -141.02 47.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.6 6.93 11.67 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.961 0.904 . . . . 0.0 111.641 172.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -138.04 -6.98 1.61 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.53 132.36 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.779 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.1 m -126.47 141.06 52.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.039 0.936 . . . . 0.0 110.251 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -118.74 137.42 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.325 1.45 . . . . 0.0 108.404 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -132.18 127.95 36.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.235 0.614 . . . . 0.0 109.884 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.62 106.4 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.07 -31.71 61.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.063 -0.398 . . . . 0.0 110.395 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.18 -174.51 36.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -115.46 156.73 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.89 0.876 . . . . 0.0 112.013 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.53 90.0 1.97 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.194 1.398 . . . . 0.0 109.167 170.207 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -114.7 6.64 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 121.429 -0.794 . . . . 0.0 111.29 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -91.13 -20.49 21.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.931 0.865 . . . . 0.0 111.596 172.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -71.0 149.54 46.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.256 0.55 . . . . 0.0 110.664 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.82 117.22 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -173.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -80.7 116.43 20.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.587 0.755 . . . . 0.0 109.383 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -123.87 131.0 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.495 0.718 . . . . 0.0 110.134 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.37 142.66 15.81 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.45 1.024 . . . . 0.0 111.565 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.2 mt -133.44 125.66 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.827 1.251 . . . . 0.0 108.961 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.71 99.01 5.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 154.79 78.5 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.65 1.18 . . . . 0.0 110.695 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.49 158.3 41.78 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.985 2.457 . . . . 0.0 112.061 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -72.49 -1.05 14.37 Favored 'General case' 0 N--CA 1.457 -0.075 0 C-N-CA 123.393 0.677 . . . . 0.0 112.672 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.88 -22.48 65.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.654 1.182 . . . . 0.0 111.808 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.77 159.27 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.159 0.984 . . . . 0.0 110.655 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.75 158.51 15.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 128.63 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.081 0.553 . . . . 0.0 110.237 169.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -149.22 167.37 26.2 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.913 0.885 . . . . 0.0 110.533 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 -76.63 162.27 27.88 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 121.666 -0.646 . . . . 0.0 110.117 169.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.13 -28.61 68.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.64 -53.5 57.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.771 0.828 . . . . 0.0 111.508 170.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -78.04 -32.92 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.643 0.777 . . . . 0.0 109.734 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -52.44 -35.15 51.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.195 0.998 . . . . 0.0 112.567 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.5 -21.89 66.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.403 0.681 . . . . 0.0 112.593 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -71.52 -22.97 61.71 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.584 0.629 . . . . 0.0 110.746 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 51' ' ' ILE . . . . . 0.471 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -94.77 -22.99 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.968 1.307 . . . . 0.0 109.774 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 171.164 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.192 0.044 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -97.49 148.42 23.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 111.455 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.79 136.94 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.972 0.909 . . . . 0.0 109.075 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -134.01 160.64 37.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.744 1.218 . . . . 0.0 110.102 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.38 99.25 6.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 168.246 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.542 ' CD ' HD11 ' F' ' 12' ' ' ILE . 4.3 mmp_? -108.64 144.01 36.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.346 1.059 . . . . 0.0 111.127 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -102.61 168.28 9.38 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 m -56.36 135.04 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.286 -171.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.82 -8.49 70.77 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.321 0.962 . . . . 0.0 114.266 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -91.26 167.73 12.1 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.859 1.33 . . . . 0.0 112.319 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 63.4 m -133.21 152.65 51.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.423 0.689 . . . . 0.0 112.8 -170.024 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.542 HD11 ' CD ' ' F' ' 6' ' ' ARG . 43.4 mm -133.98 153.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 126.697 1.999 . . . . 0.0 108.481 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -130.6 148.7 52.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.553 -0.717 . . . . 0.0 112.288 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -135.82 144.06 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.564 1.146 . . . . 0.0 108.98 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -131.32 51.87 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -128.9 10.0 5.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.275 1.03 . . . . 0.0 111.374 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.36 -18.37 0.89 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.99 137.91 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 118.869 0.759 . . . . 0.0 110.413 -172.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -131.7 139.17 48.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.53 1.132 . . . . 0.0 110.183 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -121.67 144.57 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.015 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -140.07 126.75 20.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.994 0.518 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -77.18 118.04 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -88.64 -29.5 19.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.062 0.545 . . . . 0.0 111.026 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.02 -175.31 35.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 113.903 0.321 . . . . 0.0 113.903 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.67 153.69 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 123.448 0.699 . . . . 0.0 112.137 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -142.21 89.95 2.21 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.182 1.393 . . . . 0.0 109.171 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 -102.9 1.28 Allowed Glycine 0 CA--C 1.525 0.707 0 O-C-N 121.795 -0.565 . . . . 0.0 111.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -99.52 -18.48 17.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 117.565 0.683 . . . . 0.0 112.087 171.063 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -74.93 146.1 42.08 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.349 0.595 . . . . 0.0 110.397 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -139.48 112.4 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -89.55 125.42 35.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.566 0.747 . . . . 0.0 109.263 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -132.36 129.9 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.94 0.896 . . . . 0.0 110.411 -168.525 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.59 142.07 15.92 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.155 0.883 . . . . 0.0 111.062 171.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.0 mt -136.58 125.66 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.894 0.877 . . . . 0.0 109.256 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -134.09 107.86 7.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.37 0.668 . . . . 0.0 109.721 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.32 78.05 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 123.705 0.802 . . . . 0.0 111.312 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.87 160.62 40.15 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.801 2.334 . . . . 0.0 112.227 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -64.53 -11.52 35.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.57 -15.91 62.29 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.77 1.228 . . . . 0.0 112.507 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.54 166.26 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.885 0.874 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.07 157.3 17.85 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.076 0.55 . . . . 0.0 111.564 170.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.1 117.25 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.214 0.605 . . . . 0.0 110.428 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -153.49 174.56 14.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.633 0.773 . . . . 0.0 111.189 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -80.11 163.32 24.22 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.804 -0.56 . . . . 0.0 110.204 168.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -60.76 -21.33 62.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.82 -49.58 72.31 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.672 0.789 . . . . 0.0 110.688 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -77.97 -31.4 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.318 0.647 . . . . 0.0 110.004 -173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -56.11 -34.96 66.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.823 0.849 . . . . 0.0 112.494 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -71.58 -22.66 61.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.18 0.592 . . . . 0.0 112.55 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -75.04 -22.97 58.08 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.344 0.658 . . . . 0.0 111.103 172.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.451 -0.378 0 C-N-CA 123.47 0.708 . . . . 0.0 110.27 -169.722 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.5 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.26 112.51 24.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.675 0.79 . . . . 0.0 109.848 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.29 137.66 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.663 0.785 . . . . 0.0 110.434 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 mt -132.06 153.88 49.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.195 0.998 . . . . 0.0 109.56 173.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -127.98 101.01 6.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 109.241 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 142.92 33.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.62 167.26 19.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.182 0.993 . . . . 0.0 112.856 -168.634 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.485 HG13 ' HA2' ' A' ' 24' ' ' GLY . 52.2 t -44.35 130.71 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.452 1.101 . . . . 0.0 110.241 167.456 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -11.73 70.79 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.5 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -79.52 172.38 13.87 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.456 1.628 . . . . 0.0 112.477 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -147.47 143.72 28.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.637 0.775 . . . . 0.0 111.955 -169.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.1 mm -113.57 153.44 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.952 1.301 . . . . 0.0 109.982 174.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -122.57 137.3 54.93 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.58 1.152 . . . . 0.0 109.817 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt -131.99 125.83 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.375 1.07 . . . . 0.0 109.478 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -128.29 28.84 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.68 1.45 7.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.801 0.841 . . . . 0.0 112.285 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -135.1 -25.61 1.36 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.72 134.94 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 119.071 0.85 . . . . 0.0 110.468 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -127.35 144.27 51.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 109.526 170.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -124.47 140.5 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.054 1.342 . . . . 0.0 107.981 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.8 m -138.34 132.39 31.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.341 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.9 tp -83.09 103.28 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 171.314 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.9 -29.05 63.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.979 -0.451 . . . . 0.0 109.786 -176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.05 -172.52 41.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 113.728 0.251 . . . . 0.0 113.728 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.81 145.26 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.81 0.844 . . . . 0.0 110.948 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 m -136.98 65.16 1.51 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.932 1.293 . . . . 0.0 109.693 -170.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.98 -122.19 12.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.97 -12.47 60.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.611 0.764 . . . . 0.0 111.812 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -99.0 157.72 16.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.823 0.821 . . . . 0.0 112.419 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.41 125.38 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.766 1.627 . . . . 0.0 108.274 -169.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -101.62 101.95 12.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.477 0.711 . . . . 0.0 110.127 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mt -108.61 131.35 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.139 1.376 . . . . 0.0 109.505 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.9 138.26 14.08 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 123.845 0.736 . . . . 0.0 111.484 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -112.11 130.4 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.288 1.435 . . . . 0.0 107.936 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.28 74.97 1.02 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.209 1.004 . . . . 0.0 109.363 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.96 152.85 40.39 Favored Pre-proline 0 N--CA 1.453 -0.312 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.708 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.15 155.43 56.67 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.532 2.155 . . . . 0.0 110.398 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -69.18 -1.08 6.97 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.88 -31.06 71.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.774 0.829 . . . . 0.0 111.358 168.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.98 144.02 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 121.839 0.828 . . . . 0.0 111.343 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.0 32.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.818 0.847 . . . . 0.0 110.721 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.52 127.51 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.548 0.339 . . . . 0.0 110.345 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CD2' HD11 ' A' ' 51' ' ' ILE . 95.6 m-70 -151.11 -176.97 5.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.385 1.074 . . . . 0.0 109.971 -172.284 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -123.96 167.8 13.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 169.952 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.564 -173.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.97 -25.47 61.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.869 1.268 . . . . 0.0 112.981 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -117.63 -24.46 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 125.017 1.327 . . . . 0.0 111.168 -172.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -63.82 -30.58 71.66 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.487 0.715 . . . . 0.0 110.184 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.07 -13.28 60.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.667 0.787 . . . . 0.0 111.753 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.54 -34.65 35.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.342 1.057 . . . . 0.0 110.669 169.454 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 43' ' ' HIS . 26.7 mt -62.95 -54.01 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.928 0.891 . . . . 0.0 108.61 172.606 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 123.855 0.862 . . . . 0.0 112.758 -175.498 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.33 123.1 49.32 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 168.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -118.82 139.59 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -165.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -134.56 138.74 44.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.974 1.31 . . . . 0.0 110.548 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -115.42 103.76 11.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -129.11 157.96 40.3 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.97 0.908 . . . . 0.0 110.955 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -92.33 170.2 9.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.0 112.575 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -63.37 135.19 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.428 0.632 . . . . 0.0 111.056 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.18 -2.25 78.48 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 114.272 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.61 155.44 23.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.848 1.324 . . . . 0.0 112.087 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -123.45 146.02 48.36 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.307 1.043 . . . . 0.0 111.226 -173.032 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.3 mt -136.3 151.75 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.243 1.417 . . . . 0.0 109.258 -170.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -135.51 142.24 45.41 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -169.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -134.1 127.7 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.627 1.171 . . . . 0.0 109.509 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -136.72 50.52 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -119.66 -4.14 10.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.613 0.765 . . . . 0.0 112.382 172.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -107.18 -20.99 13.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.463 0.705 . . . . 0.0 112.795 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.21 134.54 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.853 0.752 . . . . 0.0 111.209 -169.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -129.65 148.41 51.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.789 1.236 . . . . 0.0 109.652 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -125.53 144.58 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.076 1.75 . . . . 0.0 107.76 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -136.06 127.18 27.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.793 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.4 tp -79.2 105.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 170.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.51 -31.96 63.99 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.754 -0.591 . . . . 0.0 110.94 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.59 157.72 8.56 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-O 121.324 0.402 . . . . 0.0 112.574 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.68 144.69 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.7 t -130.08 73.99 1.56 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.33 -135.36 13.25 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.493 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.63 13.03 23.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.252 0.621 . . . . 0.0 110.197 167.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -98.8 143.35 29.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.89 117.38 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.998 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.37 117.56 24.37 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.826 1.25 . . . . 0.0 109.088 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.793 HG22 ' HA ' ' B' ' 22' ' ' ILE . 6.7 pt -136.9 144.87 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.483 0.713 . . . . 0.0 111.319 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.27 144.66 15.86 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 124.034 0.826 . . . . 0.0 111.902 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.36 132.14 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.093 0.957 . . . . 0.0 108.667 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -130.69 83.11 2.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.404 -167.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.64 156.01 80.68 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.857 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -57.43 154.41 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 121.506 1.471 . . . . 0.0 110.672 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -71.15 -0.71 10.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.918 -0.489 . . . . 0.0 112.011 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.94 -25.16 67.0 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.969 1.308 . . . . 0.0 112.18 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -108.16 144.06 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.809 0.844 . . . . 0.0 110.376 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 142.52 27.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 111.526 171.042 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.22 97.97 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.608 -166.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.09 160.72 42.08 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.632 0.773 . . . . 0.0 111.372 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -62.39 153.23 31.82 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.073 0.549 . . . . 0.0 111.567 169.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -54.24 -36.19 63.28 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 123.823 0.849 . . . . 0.0 112.408 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -51.22 63.61 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.636 0.653 . . . . 0.0 111.401 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -69.47 -44.23 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 110.773 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -51.43 -37.99 51.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.089 0.956 . . . . 0.0 112.086 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.1 mpt_? -79.68 -38.18 34.13 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.068 0.849 . . . . 0.0 110.295 173.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.41 -41.95 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -78.93 4.98 12.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.04 -18.26 53.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.938 -0.476 . . . . 0.0 111.442 168.625 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.1 45.53 0.09 OUTLIER Glycine 0 CA--C 1.524 0.647 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.284 168.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.82 -175.7 2.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.044 0.922 . . . . 0.0 112.952 -168.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -126.07 178.35 5.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.464 1.505 . . . . 0.0 109.351 167.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -39.51 117.18 1.15 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 124.333 1.053 . . . . 0.0 111.271 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.0 Cg_exo -66.86 167.16 20.29 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.526 1.484 . . . . 0.0 114.754 -168.299 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.445 171.079 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 1' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 13.7 tpp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 105.72 10.88 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.169 1.788 . . . . 0.0 106.213 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.69 133.03 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 123.373 0.669 . . . . 0.0 109.474 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.2 134.98 48.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.315 1.046 . . . . 0.0 109.19 169.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -91.17 151.08 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.08 131.75 18.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.28 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.494 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.6 tptm -77.57 153.6 33.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 170.779 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -58.95 135.87 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.005 0.431 . . . . 0.0 111.988 -175.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.39 -1.98 80.18 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.602 1.096 . . . . 0.0 114.16 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.75 164.15 11.99 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.021 1.411 . . . . 0.0 111.746 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -120.88 161.05 22.2 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -167.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -137.04 160.48 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.692 2.397 . . . . 0.0 108.026 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.96 150.91 52.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.035 -1.041 . . . . 0.0 112.068 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.6 mt -132.58 133.17 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.47 1.108 . . . . 0.0 108.979 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.93 -142.01 44.49 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.614 0.626 . . . . 0.0 112.048 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -114.88 0.51 13.78 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.598 1.159 . . . . 0.0 111.321 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -122.38 -12.07 8.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.12 134.62 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.845 0.748 . . . . 0.0 110.869 -173.303 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 33.4 m -120.92 146.8 46.25 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.381 1.072 . . . . 0.0 109.806 170.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -125.94 141.73 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.483 1.513 . . . . 0.0 108.08 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -132.45 135.06 45.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 170.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' C' ' 22' ' ' ILE . 5.8 tp -90.13 111.41 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 169.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.32 -46.49 10.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.859 -0.526 . . . . 0.0 111.136 -167.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.4 -178.04 46.36 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.822 169.624 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.3 154.51 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 CA-C-O 121.563 0.697 . . . . 0.0 112.223 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.25 110.37 5.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.958 2.103 . . . . 0.0 107.283 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.05 -117.21 7.85 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 119.362 0.983 . . . . 0.0 110.851 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -98.19 -9.26 25.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -86.33 145.68 26.81 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.004 0.907 . . . . 0.0 111.637 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -130.11 116.45 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 114.302 -1.317 . . . . 0.0 107.6 -168.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -76.67 114.12 15.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.99 136.58 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.884 1.674 . . . . 0.0 109.656 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 138.59 15.0 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.291 0.948 . . . . 0.0 112.037 172.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -127.46 124.22 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.772 1.229 . . . . 0.0 108.931 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.02 100.17 7.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.386 0.674 . . . . 0.0 109.834 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.29 156.2 71.98 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.384 1.073 . . . . 0.0 110.191 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.61 151.89 82.92 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.767 2.311 . . . . 0.0 111.212 171.721 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.31 -0.88 2.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.387 0.675 . . . . 0.0 112.715 172.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.99 -24.21 66.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.402 1.081 . . . . 0.0 111.516 169.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.09 146.46 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.082 0.953 . . . . 0.0 110.308 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 153.53 22.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.69 0.396 . . . . 0.0 111.206 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -138.01 131.18 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.017 0.527 . . . . 0.0 109.624 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -155.26 162.53 40.87 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.105 0.562 . . . . 0.0 112.179 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -79.03 159.57 27.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 166.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.06 -31.85 69.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.68 -45.96 88.31 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 111.652 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 mm -87.51 -30.4 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.151 0.58 . . . . 0.0 110.525 -172.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -51.78 -36.98 49.58 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.653 0.781 . . . . 0.0 112.238 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -60.07 -31.42 69.98 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.641 0.776 . . . . 0.0 112.321 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -69.97 -36.53 75.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.259 0.624 . . . . 0.0 111.682 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.454 -0.258 0 O-C-N 121.975 -0.453 . . . . 0.0 110.152 178.304 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.544 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -107.58 116.0 31.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.316 1.446 . . . . 0.0 109.375 172.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.544 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -109.12 141.46 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 125.158 1.383 . . . . 0.0 109.8 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.94 160.39 35.98 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.8 0.84 . . . . 0.0 111.525 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p -87.56 150.85 23.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.415 0.626 . . . . 0.0 112.143 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -145.9 130.96 18.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.123 1.369 . . . . 0.0 108.206 169.169 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . 0.25 18.4 ptpt -99.14 162.72 12.9 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 120.161 1.346 . . . . 0.0 112.714 171.547 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 m -53.75 137.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.494 -167.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -5.58 76.67 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.35 0.976 . . . . 0.0 114.016 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -95.72 177.16 5.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.799 1.3 . . . . 0.0 112.27 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -135.15 157.75 46.11 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.5 mt -141.38 159.68 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 127.324 2.25 . . . . 0.0 108.423 -176.41 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -137.84 149.18 46.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.784 0.833 . . . . 0.0 112.151 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.19 137.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.809 1.244 . . . . 0.0 109.195 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.22 -137.55 49.85 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -120.14 4.31 10.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 112.019 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.29 -8.11 4.25 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.15 137.73 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.757 0.708 . . . . 0.0 110.68 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.4 m -126.64 145.06 50.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.496 1.118 . . . . 0.0 109.774 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -124.61 140.23 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 125.453 1.501 . . . . 0.0 107.993 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -132.55 129.55 39.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -87.54 94.56 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.0 -31.75 69.58 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.343 0.657 . . . . 0.0 110.945 -170.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.83 -176.84 41.79 Favored Glycine 0 CA--C 1.524 0.625 0 CA-C-O 120.752 0.084 . . . . 0.0 112.973 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -114.81 159.19 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.585 0.754 . . . . 0.0 109.81 167.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -142.78 79.14 1.64 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 169.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.07 -112.97 3.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -173.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.494 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.18 -5.66 43.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.499 0.72 . . . . 0.0 110.635 174.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -75.01 152.78 38.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.721 0.772 . . . . 0.0 111.353 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -128.58 119.31 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -89.9 113.42 25.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -120.64 127.4 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.608 0.763 . . . . 0.0 109.789 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.1 137.92 13.78 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' C' ' 1' ' ' MET . 4.7 mp -125.18 138.67 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -137.71 98.72 3.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.01 155.84 76.03 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.533 1.133 . . . . 0.0 109.751 -174.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.89 151.74 79.22 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.161 1.907 . . . . 0.0 110.51 169.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.66 -0.98 2.36 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.251 0.62 . . . . 0.0 112.35 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.88 -23.76 66.72 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.889 1.276 . . . . 0.0 111.119 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.61 160.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.658 1.183 . . . . 0.0 110.772 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.58 156.99 16.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.438 0.695 . . . . 0.0 112.206 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -149.89 121.91 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 122.805 0.442 . . . . 0.0 109.83 167.855 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -149.59 166.02 30.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.437 0.695 . . . . 0.0 111.402 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -60.69 156.91 15.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 167.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -60.43 -34.48 74.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.295 0.952 . . . . 0.0 110.702 173.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.66 -47.65 70.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.489 1.116 . . . . 0.0 112.177 169.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -84.9 -28.81 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.334 0.654 . . . . 0.0 111.674 -173.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -52.37 -40.51 62.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.382 0.673 . . . . 0.0 110.788 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.09 -20.96 66.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.214 1.006 . . . . 0.0 113.219 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -72.37 -52.56 15.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.467 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.4 mp . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.27 123.09 18.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.473 1.109 . . . . 0.0 108.912 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.98 139.91 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 124.041 0.936 . . . . 0.0 109.753 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 49.2 mt -136.84 165.05 26.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.424 1.49 . . . . 0.0 111.109 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 106.4 8.35 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 167.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.1 129.8 56.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.635 1.574 . . . . 0.0 110.194 -173.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -93.73 165.12 12.86 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.769 1.168 . . . . 0.0 112.713 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.05 139.18 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.427 -169.651 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -3.92 86.57 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 124.002 0.811 . . . . 0.0 114.189 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -94.35 175.2 6.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.641 1.22 . . . . 0.0 111.188 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 33.9 m -135.69 155.77 49.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -169.292 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -133.83 154.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.947 2.099 . . . . 0.0 108.095 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -129.03 149.37 50.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.538 -0.726 . . . . 0.0 112.149 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.73 134.85 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.79 1.236 . . . . 0.0 109.551 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.38 51.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -129.98 10.01 5.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.65 0.78 . . . . 0.0 112.678 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -126.34 -11.72 6.29 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.97 131.32 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.242 0.928 . . . . 0.0 110.912 -170.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -122.61 142.53 50.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.239 1.016 . . . . 0.0 109.611 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm -120.93 137.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.313 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -131.3 126.08 34.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.398 0.679 . . . . 0.0 109.726 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.8 101.65 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.19 -30.43 67.54 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.18 -0.325 . . . . 0.0 110.761 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.12 -176.75 32.68 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 123.304 0.478 . . . . 0.0 113.603 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 m -108.65 160.71 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.893 0.877 . . . . 0.0 111.745 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -150.01 89.89 1.64 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.858 1.263 . . . . 0.0 109.11 169.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.14 -106.04 1.6 Allowed Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.806 -0.559 . . . . 0.0 111.797 -176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -97.23 -19.65 18.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 117.672 0.736 . . . . 0.0 111.736 171.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -71.67 148.04 46.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.423 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.7 114.37 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -91.1 121.16 32.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.02 128.92 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.324 -168.272 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.64 133.25 11.7 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 169.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.04 116.77 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.737 1.215 . . . . 0.0 107.925 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -118.18 98.89 6.53 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -169.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.4 153.15 72.54 Favored Pre-proline 0 N--CA 1.449 -0.496 0 C-N-CA 124.386 1.074 . . . . 0.0 109.557 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.24 150.15 76.06 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 122.012 1.808 . . . . 0.0 111.112 171.346 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -4.28 8.32 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 124.172 0.989 . . . . 0.0 113.277 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.89 -28.23 69.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.792 1.637 . . . . 0.0 111.799 171.339 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -113.68 161.48 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.406 1.083 . . . . 0.0 109.412 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.43 153.58 17.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -154.97 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.235 0.614 . . . . 0.0 110.474 168.619 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -151.21 165.78 32.89 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.282 1.033 . . . . 0.0 109.949 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -74.82 162.6 28.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.828 -0.545 . . . . 0.0 109.99 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -62.08 -24.54 67.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.809 0.444 . . . . 0.0 112.164 -170.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.04 -50.44 73.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 112.009 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.27 -33.43 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.704 0.802 . . . . 0.0 110.083 -172.396 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 74.2 t80 -54.56 -37.06 65.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.074 0.95 . . . . 0.0 112.412 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -65.91 -28.47 68.96 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.206 0.603 . . . . 0.0 112.364 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.22 -22.96 60.33 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.41 0.684 . . . . 0.0 110.829 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -95.44 -41.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.675 1.19 . . . . 0.0 110.037 -172.583 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 56.5 mm-40 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 123.599 0.76 . . . . 0.0 112.678 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.244 0.068 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -107.22 140.95 39.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.889 0.475 . . . . 0.0 110.534 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.0 121.22 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.8 150.75 36.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.327 1.451 . . . . 0.0 109.47 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 114.44 21.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.39 126.5 45.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.882 1.273 . . . . 0.0 109.991 -169.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.83 165.7 12.78 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 119.505 1.048 . . . . 0.0 112.431 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 m -58.98 135.03 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.623 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.32 76.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.347 0.975 . . . . 0.0 114.23 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -96.83 172.04 8.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.726 1.263 . . . . 0.0 111.561 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -136.02 159.46 41.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -169.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.0 mt -137.23 157.03 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.64 1.976 . . . . 0.0 108.113 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -129.76 149.63 51.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.444 -0.785 . . . . 0.0 112.182 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -133.86 138.79 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.549 1.139 . . . . 0.0 108.991 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.26 -135.96 51.39 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.39 10.07 7.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.186 0.994 . . . . 0.0 112.325 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -131.2 -20.46 2.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.48 137.07 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.134 0.879 . . . . 0.0 110.855 -171.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -126.82 142.87 51.43 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.418 1.087 . . . . 0.0 110.257 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -119.7 140.49 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.7 1.6 . . . . 0.0 108.157 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -135.72 128.8 31.6 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.256 0.622 . . . . 0.0 109.885 176.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.28 109.13 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -81.16 -27.89 35.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.156 0.582 . . . . 0.0 111.186 -172.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.61 -173.59 34.36 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.193 0.425 . . . . 0.0 113.47 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.24 158.45 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 123.541 0.737 . . . . 0.0 111.96 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -150.05 91.35 1.77 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.681 1.193 . . . . 0.0 109.105 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -111.45 3.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.51 -21.04 20.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.434 0.617 . . . . 0.0 111.812 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.53 142.38 44.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.067 0.547 . . . . 0.0 110.175 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -133.92 115.35 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -85.46 127.0 34.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.69 139.3 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.652 0.781 . . . . 0.0 109.966 -169.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 139.71 15.67 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.64 141.07 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.364 1.066 . . . . 0.0 109.469 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -130.22 107.92 9.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.245 1.018 . . . . 0.0 109.072 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.1 158.14 74.34 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.085 0.954 . . . . 0.0 111.256 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -65.19 162.53 32.72 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.966 2.444 . . . . 0.0 112.197 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.58 -5.01 30.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.41 0.684 . . . . 0.0 112.608 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.68 -20.16 64.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.636 1.175 . . . . 0.0 112.431 171.631 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -128.42 164.98 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 123.93 0.892 . . . . 0.0 111.271 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.05 162.35 13.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.873 0.869 . . . . 0.0 111.235 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.64 125.26 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.19 0.596 . . . . 0.0 110.541 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -153.03 173.19 15.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.014 0.926 . . . . 0.0 110.634 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -74.36 162.31 29.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 168.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.31 -21.78 62.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.62 -44.35 94.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -86.42 -29.86 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 123.252 0.621 . . . . 0.0 109.669 -172.404 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 48' ' ' TYR . . . . . 0.489 ' HA ' HG12 ' F' ' 51' ' ' ILE . 73.9 t80 -53.61 -34.31 58.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.835 0.854 . . . . 0.0 112.643 175.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -67.96 -22.0 65.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.427 0.691 . . . . 0.0 112.361 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -85.11 -22.97 28.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.442 0.697 . . . . 0.0 111.329 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.489 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.4 mm . . . . . 0 N--CA 1.455 -0.197 0 C-N-CA 123.73 0.812 . . . . 0.0 109.221 170.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 113.16 24.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.599 0.76 . . . . 0.0 108.997 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.38 121.15 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.54 158.06 23.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.932 0.893 . . . . 0.0 109.452 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 m -125.02 100.9 6.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.66 137.41 53.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.861 0.864 . . . . 0.0 110.729 -167.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -99.08 160.87 13.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.358 0.663 . . . . 0.0 110.176 -172.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 25' ' ' VAL . 27.3 m -64.32 138.17 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 121.492 -0.755 . . . . 0.0 111.64 -173.01 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.21 -7.87 78.01 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.472 1.034 . . . . 0.0 114.681 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -85.83 166.95 15.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 119.433 1.617 . . . . 0.0 112.672 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -132.91 140.09 47.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.924 0.89 . . . . 0.0 111.584 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 23.4 mm -114.8 151.22 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 125.367 1.467 . . . . 0.0 108.881 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -124.55 136.58 54.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.932 0.893 . . . . 0.0 110.149 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -130.87 130.84 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.1 0.96 . . . . 0.0 109.806 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 -127.46 27.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -127.29 -2.19 6.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.941 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.65 -3.15 0.81 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -168.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.05 134.01 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 119.484 1.038 . . . . 0.0 110.638 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 146.25 51.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.773 0.829 . . . . 0.0 109.635 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -130.49 127.37 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.402 1.081 . . . . 0.0 108.562 -172.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -127.45 130.33 49.08 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.916 0.78 . . . . 0.0 111.004 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 22' ' ' ILE . 3.9 tp -83.72 111.17 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -32.35 59.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.33 -170.93 31.6 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 115.234 0.853 . . . . 0.0 115.234 165.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.674 HG13 HG11 ' A' ' 8' ' ' VAL . 21.7 m -88.0 157.16 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 C-N-CA 123.929 0.892 . . . . 0.0 112.333 -169.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -142.04 60.92 1.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.136 1.374 . . . . 0.0 109.448 169.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.94 -122.52 16.52 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -172.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -79.9 -0.86 36.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.164 0.586 . . . . 0.0 112.123 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -98.86 159.91 14.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.057 0.932 . . . . 0.0 110.906 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -140.24 125.35 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 126.109 1.764 . . . . 0.0 107.757 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -107.8 101.98 11.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.644 0.378 . . . . 0.0 110.424 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -114.15 137.19 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 125.16 1.384 . . . . 0.0 110.271 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.23 138.85 14.19 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.349 0.976 . . . . 0.0 111.622 169.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.71 134.48 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.269 1.427 . . . . 0.0 108.269 172.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -120.02 75.55 1.1 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.704 1.202 . . . . 0.0 109.259 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.76 153.03 45.22 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 114.242 -1.345 . . . . 0.0 110.474 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.35 153.92 56.03 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.57 2.18 . . . . 0.0 110.531 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.32 -5.13 17.04 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -68.77 -26.13 65.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.007 0.923 . . . . 0.0 112.198 169.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.16 144.1 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 122.044 0.926 . . . . 0.0 111.984 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.93 143.08 31.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.365 1.066 . . . . 0.0 111.454 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 t -129.53 117.46 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.814 0.845 . . . . 0.0 109.532 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 66.4 m80 -151.38 156.19 40.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.365 0.666 . . . . 0.0 111.614 -175.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 160.14 31.19 Favored 'General case' 0 C--O 1.227 -0.096 0 O-C-N 121.974 -0.453 . . . . 0.0 110.347 171.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.92 -27.73 68.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.792 -0.568 . . . . 0.0 111.991 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.38 -1.86 35.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.78 -30.15 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.214 1.005 . . . . 0.0 111.219 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.95 -31.6 72.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.142 -0.974 . . . . 0.0 110.414 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -75.44 -12.15 60.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.851 0.46 . . . . 0.0 111.833 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -33.61 33.62 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.032 0.933 . . . . 0.0 110.69 169.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.19 -52.44 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.868 0.867 . . . . 0.0 108.925 171.682 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 123.553 0.741 . . . . 0.0 112.304 -175.052 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -101.27 117.53 35.17 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.89 138.04 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.106 0.479 . . . . 0.0 111.622 -167.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.71 140.17 50.33 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.73 1.212 . . . . 0.0 110.086 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -105.78 100.98 10.52 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.52 151.62 33.03 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.239 1.015 . . . . 0.0 111.077 -170.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -91.0 164.29 14.02 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.904 0.383 . . . . 0.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 m -58.79 130.5 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.958 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.46 -3.43 57.86 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 118.646 -1.086 . . . . 0.0 115.53 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.57 158.25 34.05 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.987 1.894 . . . . 0.0 111.548 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -126.3 147.96 49.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.62 0.768 . . . . 0.0 111.131 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mm -133.91 150.09 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 125.986 1.714 . . . . 0.0 108.732 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -124.59 138.77 54.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.601 1.161 . . . . 0.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -129.06 130.04 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.774 0.829 . . . . 0.0 109.567 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.2 -133.49 52.36 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -174.032 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.59 5.01 6.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.748 0.819 . . . . 0.0 112.816 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.09 -18.2 10.11 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.26 136.68 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 119.258 0.935 . . . . 0.0 111.569 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -133.08 145.63 50.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.879 1.272 . . . . 0.0 109.962 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 mm -129.94 139.41 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 125.054 1.342 . . . . 0.0 109.162 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.35 128.42 37.61 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.5 0.72 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -85.11 106.07 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.87 -32.07 51.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.199 -0.313 . . . . 0.0 110.544 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 177.55 32.83 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.95 141.36 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.102 0.477 . . . . 0.0 110.328 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -114.92 72.56 0.79 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.667 1.187 . . . . 0.0 107.915 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -117.03 4.55 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.477 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.96 8.9 42.43 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.174 -0.604 . . . . 0.0 111.029 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.96 155.44 17.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.122 0.969 . . . . 0.0 110.126 170.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 t -136.55 113.56 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -170.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.69 117.42 25.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 0.0 109.598 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.51 127.26 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.924 0.89 . . . . 0.0 110.343 -169.642 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.34 137.04 14.13 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -125.21 128.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -129.21 84.68 2.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.326 -167.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.17 154.83 78.78 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.019 -1.446 . . . . 0.0 109.524 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -58.79 151.86 61.22 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.516 1.477 . . . . 0.0 109.264 168.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -70.47 -0.87 9.23 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 122.089 0.947 . . . . 0.0 111.79 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.79 -21.74 66.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.962 1.705 . . . . 0.0 110.984 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 m -124.92 144.08 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.128 1.371 . . . . 0.0 109.513 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.6 143.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.99 116.88 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 124.269 1.028 . . . . 0.0 109.712 169.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.26 164.8 32.05 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 124.854 1.262 . . . . 0.0 110.395 169.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.85 156.11 37.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 122.281 -0.262 . . . . 0.0 110.803 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.31 -39.1 66.68 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.396 0.678 . . . . 0.0 111.956 -175.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -50.09 -45.63 52.81 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.771 0.428 . . . . 0.0 110.959 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 mm -77.22 -48.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 125.527 1.531 . . . . 0.0 110.2 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -51.43 -35.55 39.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.301 1.041 . . . . 0.0 111.629 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.33 -22.59 62.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -176.271 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -81.9 -38.81 24.75 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.283 0.947 . . . . 0.0 110.451 169.552 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.413 ' HA ' HD12 ' B' ' 55' ' ' LEU . 97.4 mt -63.78 -40.92 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -80.26 5.02 15.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.53 -19.76 45.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.087 0.555 . . . . 0.0 111.385 168.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 47.04 0.08 OUTLIER Glycine 0 C--N 1.338 0.69 0 CA-C-O 119.418 -0.657 . . . . 0.0 114.447 168.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.06 -176.53 2.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.998 0.899 . . . . 0.0 112.865 -168.341 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.0 p -126.42 -177.6 4.04 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.536 1.535 . . . . 0.0 109.387 168.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -42.78 121.46 2.83 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.13 0.972 . . . . 0.0 111.503 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 51.0 Cg_exo -66.5 173.59 7.51 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.916 1.744 . . . . 0.0 114.899 -169.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 125.481 1.513 . . . . 0.0 112.984 -178.116 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpp . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.495 -0.288 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.77 105.63 14.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 167.289 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.32 134.93 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.093 0.957 . . . . 0.0 109.536 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -126.66 134.9 50.62 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.566 0.746 . . . . 0.0 109.225 168.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.1 p -93.74 143.35 26.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 169.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.446 ' NH1' HD12 ' C' ' 12' ' ' ILE . 1.4 mtp-105 -146.09 163.97 33.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 173.053 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' D' ' 28' ' ' GLN . 13.0 mmmm -98.58 161.22 13.78 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.141 0.577 . . . . 0.0 109.701 172.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.72 134.27 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 120.901 0.381 . . . . 0.0 111.362 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.21 -6.8 72.34 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.81 1.195 . . . . 0.0 114.388 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' GLU . . . . . 0.437 ' C ' ' HE ' ' C' ' 6' ' ' ARG . 47.3 mm-40 -90.38 174.06 7.77 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.077 1.439 . . . . 0.0 112.34 -174.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -132.83 154.21 50.53 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.446 HD12 ' NH1' ' C' ' 6' ' ' ARG . 29.9 mt -135.42 160.19 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 127.461 2.304 . . . . 0.0 108.702 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -128.29 147.1 50.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.254 1.021 . . . . 0.0 111.97 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -134.32 142.67 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.84 1.256 . . . . 0.0 109.131 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.01 -137.52 40.36 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -123.63 10.08 9.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.768 0.827 . . . . 0.0 110.939 169.1 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.51 -8.35 4.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.676 1.19 . . . . 0.0 112.968 -169.659 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.62 136.85 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.568 0.747 . . . . 0.0 110.624 -174.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -122.3 143.51 49.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -121.83 136.92 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.999 1.32 . . . . 0.0 108.311 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -128.52 134.25 48.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.013 0.525 . . . . 0.0 109.594 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' C' ' 22' ' ' ILE . 9.1 tp -99.21 113.18 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.52 -42.85 12.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.14 -166.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.47 174.09 40.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.278 -0.963 . . . . 0.0 114.341 168.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.96 144.24 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.39 0.676 . . . . 0.0 110.35 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -140.94 100.21 3.77 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -140.03 25.24 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.397 -169.182 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.59 1.76 44.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.124 0.97 . . . . 0.0 110.933 168.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 145.4 26.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.703 1.201 . . . . 0.0 110.169 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -134.97 120.01 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -80.29 115.43 19.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -112.78 139.41 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 126.011 1.724 . . . . 0.0 109.267 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 139.13 15.12 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.178 0.894 . . . . 0.0 111.765 172.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -125.29 123.79 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.207 1.003 . . . . 0.0 108.91 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -117.26 100.85 7.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.165 0.586 . . . . 0.0 110.051 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 154.23 62.72 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.243 1.017 . . . . 0.0 110.027 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.09 152.05 78.01 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.781 2.321 . . . . 0.0 111.121 172.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -65.15 -0.87 1.86 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.374 0.67 . . . . 0.0 112.663 172.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.97 -23.49 66.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.464 1.106 . . . . 0.0 111.443 169.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -121.55 147.07 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.107 0.963 . . . . 0.0 110.366 174.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 154.78 21.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.774 0.429 . . . . 0.0 111.265 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.97 130.13 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 122.956 0.502 . . . . 0.0 109.741 169.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -156.7 158.15 36.43 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.246 0.475 . . . . 0.0 112.155 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -74.44 158.03 34.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 165.854 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.85 -32.28 73.74 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.37 -20.57 63.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mm -95.74 -34.57 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.507 0.723 . . . . 0.0 110.753 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -51.73 -36.46 47.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.79 0.836 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -59.46 -28.9 67.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.701 0.8 . . . . 0.0 112.471 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -70.52 -37.35 74.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.348 0.659 . . . . 0.0 111.787 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 177.958 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.507 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.0 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.06 111.95 21.87 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.545 1.538 . . . . 0.0 107.845 168.452 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -101.79 140.05 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.982 1.313 . . . . 0.0 109.573 -178.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -155.17 158.54 39.1 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.919 0.888 . . . . 0.0 110.406 169.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -90.46 148.0 23.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.106 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.403 ' HG3' HD11 ' D' ' 12' ' ' ILE . 4.4 mmp_? -139.04 145.34 39.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.648 0.779 . . . . 0.0 109.016 166.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -80.08 158.89 26.31 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.042 0.449 . . . . 0.0 110.163 171.58 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.42 138.32 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.457 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.37 -3.42 83.89 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.168 0.89 . . . . 0.0 113.956 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -88.98 169.2 11.73 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 1.254 . . . . 0.0 112.03 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -130.24 156.79 44.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.949 0.9 . . . . 0.0 112.151 -172.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' D' ' 6' ' ' ARG . 56.7 mt -146.62 160.57 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.657 1.983 . . . . 0.0 108.687 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -134.11 150.61 51.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.298 1.039 . . . . 0.0 112.255 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -135.14 135.27 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.115 1.366 . . . . 0.0 109.267 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 -133.61 48.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 9.97 5.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 112.325 171.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -127.85 -17.02 4.55 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.39 130.96 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.993 0.815 . . . . 0.0 110.489 -171.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -115.43 145.41 42.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.797 0.839 . . . . 0.0 109.876 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -129.2 140.44 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.955 1.302 . . . . 0.0 108.268 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -137.37 130.88 31.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -86.61 103.91 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.3 mt -78.16 -30.46 49.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.315 0.646 . . . . 0.0 110.584 -172.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.64 -173.62 40.58 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-O 120.805 0.114 . . . . 0.0 112.966 170.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.98 159.42 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.921 0.888 . . . . 0.0 110.398 168.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -141.76 77.08 1.57 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 169.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.97 -114.48 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.429 ' HB3' ' HE2' ' C' ' 7' ' ' LYS . 3.1 mp0 -88.43 -6.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.512 0.725 . . . . 0.0 110.005 172.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -74.72 149.28 39.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.136 0.493 . . . . 0.0 112.167 173.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 31.2 t -129.21 119.12 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -94.89 112.04 23.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.652 1.181 . . . . 0.0 108.386 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.41 128.2 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.379 0.672 . . . . 0.0 110.202 -168.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.37 135.55 12.77 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.81 140.54 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.985 0.914 . . . . 0.0 108.811 171.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -137.97 90.01 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.339 0.656 . . . . 0.0 109.509 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.4 155.34 54.06 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 124.393 1.077 . . . . 0.0 110.02 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.89 150.84 87.18 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.185 1.923 . . . . 0.0 110.466 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -68.86 -1.42 7.19 Favored 'General case' 0 CA--C 1.526 0.025 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.55 -20.94 66.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.581 1.152 . . . . 0.0 111.587 168.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -128.12 160.01 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.261 1.024 . . . . 0.0 110.863 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.13 157.04 16.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.547 0.739 . . . . 0.0 112.675 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.23 124.67 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.869 -0.52 . . . . 0.0 109.613 168.095 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -149.0 160.63 43.13 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 111.87 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -65.66 154.15 39.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 168.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.35 -35.22 71.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.417 0.553 . . . . 0.0 112.292 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.46 -55.95 28.22 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.255 0.622 . . . . 0.0 110.94 170.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -64.15 -42.71 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 124.02 0.928 . . . . 0.0 109.993 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -49.4 -42.72 43.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.52 1.528 . . . . 0.0 112.241 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.19 -20.93 63.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.9 -50.93 12.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.98 0.809 . . . . 0.0 109.572 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.628 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.8 mp . . . . . 0 N--CA 1.455 -0.207 0 C-N-CA 125.137 1.375 . . . . 0.0 111.965 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.37 119.85 30.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.984 0.913 . . . . 0.0 109.634 -173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.92 136.22 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.001 0.92 . . . . 0.0 109.737 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -132.46 163.41 28.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.765 1.626 . . . . 0.0 110.485 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -133.65 98.63 4.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 167.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.447 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.1 mmp_? -104.94 154.81 19.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.684 1.193 . . . . 0.0 109.673 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -110.2 171.59 7.36 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.05 0.841 . . . . 0.0 113.166 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.09 128.31 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.942 -169.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.94 67.98 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.245 0.926 . . . . 0.0 113.86 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -91.55 168.76 11.28 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.443 1.121 . . . . 0.0 111.077 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -132.13 159.51 38.72 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -168.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 12' ' ' ILE . . . . . 0.447 HD11 ' HG3' ' E' ' 6' ' ' ARG . 24.0 mt -143.85 156.86 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 126.739 2.016 . . . . 0.0 107.682 -175.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -137.95 149.33 46.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.564 -0.71 . . . . 0.0 112.831 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -136.62 138.65 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.905 1.282 . . . . 0.0 109.027 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.6 -134.91 49.75 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.98 10.03 6.93 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.264 1.026 . . . . 0.0 111.675 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.1 -7.72 1.36 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.56 134.19 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.79 0.723 . . . . 0.0 110.492 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -126.88 143.77 51.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.47 1.108 . . . . 0.0 110.03 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.87 138.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.057 1.343 . . . . 0.0 108.083 173.665 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -132.03 126.39 33.79 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.38 0.672 . . . . 0.0 109.204 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.8 108.34 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -72.77 -41.73 64.74 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.301 -0.874 . . . . 0.0 110.895 -169.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.82 178.78 36.93 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 123.413 0.53 . . . . 0.0 113.076 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -106.77 158.89 6.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.364 0.666 . . . . 0.0 112.267 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.12 90.88 1.79 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.854 1.262 . . . . 0.0 109.361 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.07 -113.46 5.41 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -93.94 -20.37 20.06 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 117.252 0.526 . . . . 0.0 111.749 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.28 139.0 49.83 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.238 0.542 . . . . 0.0 109.677 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 114.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -83.43 125.79 32.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.6 130.95 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.418 0.687 . . . . 0.0 109.399 -169.383 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.9 139.74 14.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.061 0.838 . . . . 0.0 111.334 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.39 133.41 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.929 1.291 . . . . 0.0 109.08 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -134.29 99.0 4.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.612 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.09 155.58 78.93 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.657 1.183 . . . . 0.0 110.533 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.12 158.24 35.64 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.669 2.246 . . . . 0.0 111.811 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -68.31 -0.87 5.27 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.557 0.743 . . . . 0.0 112.637 169.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.03 -25.03 67.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.109 1.364 . . . . 0.0 111.944 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.61 157.6 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.1 0.96 . . . . 0.0 111.026 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.42 20.49 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.714 172.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.06 124.91 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.873 0.469 . . . . 0.0 110.261 168.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -149.7 166.18 30.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.271 1.028 . . . . 0.0 110.206 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -78.74 161.61 26.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.685 -0.635 . . . . 0.0 109.95 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.09 -22.81 61.41 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.28 -49.54 69.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.143 0.977 . . . . 0.0 111.654 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.98 -33.17 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.591 0.756 . . . . 0.0 109.929 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.406 0.683 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -69.17 -26.53 64.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.219 0.608 . . . . 0.0 112.571 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.36 -23.03 61.83 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.364 0.666 . . . . 0.0 110.716 176.138 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.31 -46.99 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.153 0.981 . . . . 0.0 109.635 -171.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 176.124 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.755 -0.091 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.17 148.81 23.71 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.025 0.53 . . . . 0.0 111.153 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.2 127.05 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 171.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.86 155.87 28.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.594 1.558 . . . . 0.0 109.305 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.13 103.39 8.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -116.49 126.24 53.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.538 -170.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -88.73 165.86 14.44 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 119.117 0.871 . . . . 0.0 112.787 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.4 m -58.06 135.7 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.287 -171.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.97 -9.31 72.99 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.348 0.975 . . . . 0.0 113.873 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -96.44 172.32 8.01 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.804 1.302 . . . . 0.0 112.27 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 64.4 m -131.24 160.43 34.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -169.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -138.65 156.26 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.154 2.182 . . . . 0.0 107.852 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -131.74 149.36 52.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.382 -0.824 . . . . 0.0 112.431 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.63 141.47 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.599 1.16 . . . . 0.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -139.14 47.94 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -122.24 10.03 9.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.087 0.955 . . . . 0.0 112.452 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -134.61 -20.71 1.78 Allowed 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -96.97 136.81 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 119.267 0.939 . . . . 0.0 110.755 -170.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m -125.35 142.05 51.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.009 0.924 . . . . 0.0 110.392 173.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.81 140.25 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.737 1.615 . . . . 0.0 108.169 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -136.26 128.1 29.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.054 0.542 . . . . 0.0 109.839 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -81.34 111.34 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.0 -28.08 26.0 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.416 0.686 . . . . 0.0 111.217 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.15 -172.35 35.84 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.076 0.369 . . . . 0.0 113.485 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.71 159.56 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.281 0.632 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -149.16 91.19 1.81 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.927 1.291 . . . . 0.0 109.229 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.49 -103.01 1.45 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -101.94 -16.74 16.42 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 117.417 0.609 . . . . 0.0 111.992 170.113 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.54 145.8 47.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.647 0.737 . . . . 0.0 109.485 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -140.57 106.88 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -84.63 127.47 34.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.632 0.773 . . . . 0.0 109.013 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.43 140.58 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.964 0.906 . . . . 0.0 110.352 -168.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 138.63 14.93 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.096 0.855 . . . . 0.0 111.014 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.29 138.83 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.178 0.991 . . . . 0.0 109.79 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -132.2 106.44 7.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.136 0.974 . . . . 0.0 109.346 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.35 157.97 76.61 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 111.324 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -65.61 162.71 33.05 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.051 2.501 . . . . 0.0 112.135 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -70.28 -7.73 44.72 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.467 0.707 . . . . 0.0 112.611 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.7 -18.13 64.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.853 1.261 . . . . 0.0 112.395 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -130.01 162.85 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 111.148 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.55 164.28 12.14 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.546 0.739 . . . . 0.0 111.34 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.35 129.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.522 0.729 . . . . 0.0 110.111 170.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -151.41 174.13 13.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.271 1.029 . . . . 0.0 110.217 175.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -74.33 159.57 32.22 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -62.43 -21.96 65.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.33 -50.74 72.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.776 0.83 . . . . 0.0 111.304 172.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -79.68 -31.82 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.091 0.556 . . . . 0.0 109.586 -171.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 48' ' ' TYR . . . . . 0.451 ' HA ' HG12 ' F' ' 51' ' ' ILE . 70.3 t80 -53.2 -35.22 59.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.991 0.916 . . . . 0.0 112.896 177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.59 -22.04 66.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.101 0.56 . . . . 0.0 112.351 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -82.46 -34.6 28.06 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.183 0.593 . . . . 0.0 110.706 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.451 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.2 mm . . . . . 0 N--CA 1.456 -0.14 0 C-N-CA 124.02 0.928 . . . . 0.0 110.118 172.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.81 115.75 31.06 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.456 0.702 . . . . 0.0 109.961 -175.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -101.24 137.76 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.925 0.89 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.54 161.34 34.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.386 1.075 . . . . 0.0 109.826 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.9 m -128.02 100.94 6.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -120.03 147.17 45.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.824 0.45 . . . . 0.0 110.776 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -104.35 160.66 14.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.834 0.853 . . . . 0.0 109.702 -170.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.495 HG13 ' HA2' ' A' ' 24' ' ' GLY . 60.9 t -47.66 128.9 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.726 0.41 . . . . 0.0 111.297 -178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.62 -6.49 70.7 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.599 1.095 . . . . 0.0 114.002 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -91.14 172.09 8.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.529 1.164 . . . . 0.0 112.165 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -140.11 158.07 44.62 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -170.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.49 159.58 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 126.466 1.906 . . . . 0.0 109.561 173.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -131.21 139.13 49.64 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.372 1.069 . . . . 0.0 110.847 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.5 mt -132.57 131.07 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.449 1.099 . . . . 0.0 109.599 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.9 -125.24 18.98 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.92 -4.9 4.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.358 1.063 . . . . 0.0 111.762 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -138.1 -8.93 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -168.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -111.33 138.01 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 119.09 0.859 . . . . 0.0 110.489 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -139.77 142.16 36.77 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.215 1.006 . . . . 0.0 109.383 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -126.07 148.1 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.286 1.034 . . . . 0.0 109.083 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -138.89 138.65 37.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.738 0.815 . . . . 0.0 110.264 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -93.32 100.52 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.56 -26.73 60.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 0.0 110.6 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.495 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 171.7 -170.88 43.74 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.294 0.473 . . . . 0.0 113.236 169.817 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.83 157.04 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.503 0.721 . . . . 0.0 111.34 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -141.88 61.18 1.46 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.911 1.284 . . . . 0.0 109.622 -174.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.23 -121.04 6.85 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.41 -4.09 49.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.45 0.7 . . . . 0.0 111.813 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.87 159.18 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.836 0.827 . . . . 0.0 111.928 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -140.79 129.7 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 126.487 1.915 . . . . 0.0 108.184 -169.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -101.88 101.87 12.37 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.8 mt -108.88 139.97 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.583 1.153 . . . . 0.0 109.984 -170.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.84 142.29 13.58 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 123.43 0.538 . . . . 0.0 112.072 173.099 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.91 136.46 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.788 1.235 . . . . 0.0 108.987 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.57 82.43 1.88 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.722 1.209 . . . . 0.0 109.247 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.91 153.4 51.0 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.107 0.963 . . . . 0.0 110.407 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.26 157.92 41.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.657 2.238 . . . . 0.0 110.683 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -67.97 -1.3 5.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -31.02 71.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.821 0.849 . . . . 0.0 111.426 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.97 144.07 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.773 0.797 . . . . 0.0 111.248 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.03 143.02 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.667 0.787 . . . . 0.0 110.611 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -132.91 128.32 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -149.82 150.63 32.27 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.156 0.582 . . . . 0.0 110.915 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.61 159.29 27.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.585 0.354 . . . . 0.0 111.189 169.663 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -73.32 -24.01 60.33 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.097 -0.377 . . . . 0.0 111.89 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.52 -20.37 59.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.629 1.172 . . . . 0.0 112.671 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.03 -29.19 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.038 0.935 . . . . 0.0 111.391 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -61.02 -31.39 71.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 119.14 0.882 . . . . 0.0 110.719 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -76.56 -14.66 59.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.388 0.675 . . . . 0.0 112.043 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -81.42 -34.29 31.65 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.038 0.935 . . . . 0.0 110.944 169.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.6 -52.37 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 171.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.704 0.802 . . . . 0.0 112.519 -176.185 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 tpp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 119.749 -0.167 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -123.98 112.17 16.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.329 1.452 . . . . 0.0 108.101 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.59 142.39 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.446 0.698 . . . . 0.0 111.486 -169.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.59 148.55 47.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.797 1.639 . . . . 0.0 110.311 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.3 m -107.44 117.6 34.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.56 154.79 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.559 1.544 . . . . 0.0 110.029 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -113.65 160.06 19.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.254 0.934 . . . . 0.0 110.617 166.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -59.18 129.57 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 121.455 0.645 . . . . 0.0 111.125 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.13 -5.64 63.38 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-O 118.902 -0.943 . . . . 0.0 115.139 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.18 169.28 14.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.381 1.591 . . . . 0.0 111.644 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -138.84 156.25 47.47 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.743 0.817 . . . . 0.0 112.17 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mm -131.59 152.97 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 126.41 1.884 . . . . 0.0 108.988 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -128.79 141.52 51.28 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.571 1.148 . . . . 0.0 110.481 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -130.68 130.74 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.241 1.016 . . . . 0.0 109.624 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.0 -133.55 52.66 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.58 4.57 8.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.682 0.793 . . . . 0.0 112.249 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.54 -17.79 7.99 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.603 0.761 . . . . 0.0 113.031 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.49 135.69 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.743 0.701 . . . . 0.0 110.611 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.0 m -131.71 147.7 52.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.425 1.09 . . . . 0.0 109.979 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -128.09 143.38 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.755 1.622 . . . . 0.0 108.103 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -135.68 130.69 34.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.115 0.566 . . . . 0.0 110.041 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.7 95.19 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.24 -34.28 78.0 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.936 -0.478 . . . . 0.0 110.983 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.1 179.37 37.57 Favored Glycine 0 C--N 1.335 0.526 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 173.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.27 148.1 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-O 121.062 0.458 . . . . 0.0 110.081 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -124.54 77.63 1.6 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.047 0.939 . . . . 0.0 108.474 170.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.02 -118.49 4.72 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -175.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.09 10.25 41.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.201 -0.588 . . . . 0.0 111.144 173.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.96 155.08 17.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.164 0.986 . . . . 0.0 109.959 169.741 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.98 113.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.065 0.546 . . . . 0.0 109.569 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.97 118.91 24.84 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.126 1.371 . . . . 0.0 109.612 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -129.29 131.28 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.258 1.023 . . . . 0.0 109.694 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.93 139.49 14.5 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 171.419 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -122.87 131.38 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.175 0.99 . . . . 0.0 109.036 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -132.56 75.17 1.61 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.332 -168.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.77 158.13 50.51 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.702 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.05 156.67 43.22 Favored 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 122.024 1.816 . . . . 0.0 111.38 169.607 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.09 -0.85 4.94 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.231 1.012 . . . . 0.0 112.114 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.84 -27.41 68.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.399 1.48 . . . . 0.0 111.184 171.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -111.83 144.08 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.695 1.198 . . . . 0.0 109.98 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.43 142.65 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.599 0.714 . . . . 0.0 111.014 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.69 96.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.032 -166.191 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.93 167.19 23.23 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.073 0.949 . . . . 0.0 110.558 178.284 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -72.86 162.26 29.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 169.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.98 -41.67 83.47 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.65 0.78 . . . . 0.0 112.495 -171.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -72.22 -3.37 23.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 121.335 -0.853 . . . . 0.0 113.279 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 mm -101.98 -50.13 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 123.708 0.803 . . . . 0.0 109.712 169.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -49.3 -38.84 28.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.444 1.498 . . . . 0.0 112.264 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.23 -23.22 62.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -76.55 -43.57 38.53 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.9 0.773 . . . . 0.0 109.899 170.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.416 ' HA ' HD12 ' B' ' 55' ' ' LEU . 98.3 mt -63.78 -37.73 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.459 0.704 . . . . 0.0 109.43 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -81.09 1.14 32.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.25 -19.66 50.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.384 0.674 . . . . 0.0 111.764 169.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.2 50.24 0.09 OUTLIER Glycine 0 C--N 1.338 0.676 0 CA-C-O 119.589 -0.562 . . . . 0.0 114.049 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -168.95 -177.41 2.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.61 0.705 . . . . 0.0 112.387 -168.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 57.2 p -128.18 -172.2 2.63 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.339 1.456 . . . . 0.0 109.556 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.4 124.02 4.55 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.761 0.825 . . . . 0.0 111.312 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.69 171.43 5.77 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.844 2.362 . . . . 0.0 114.461 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.453 -0.281 0 C-N-CA 124.753 1.221 . . . . 0.0 113.078 -176.773 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.37 107.38 15.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 167.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.24 131.97 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.765 0.826 . . . . 0.0 109.069 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.75 138.97 53.45 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.04 0.936 . . . . 0.0 109.416 169.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -102.15 145.31 29.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.588 0.708 . . . . 0.0 111.196 169.279 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -138.89 145.27 39.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.532 1.133 . . . . 0.0 109.157 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -78.0 162.55 26.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 167.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.67 133.25 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 O-C-N 121.819 -0.551 . . . . 0.0 111.21 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.97 -2.19 87.0 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.782 1.182 . . . . 0.0 114.091 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.57 169.11 12.45 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.493 1.646 . . . . 0.0 111.853 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -129.23 158.2 39.7 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -168.628 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mt -136.77 159.01 37.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.745 2.418 . . . . 0.0 108.242 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -134.95 149.54 50.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.243 1.017 . . . . 0.0 112.051 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.27 140.24 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.643 1.177 . . . . 0.0 109.095 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -137.3 49.97 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -124.15 9.99 8.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.968 0.907 . . . . 0.0 111.442 169.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.41 -10.82 5.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.054 0.942 . . . . 0.0 112.824 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.65 133.34 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.678 0.672 . . . . 0.0 110.966 -173.052 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -120.01 148.0 44.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.596 1.158 . . . . 0.0 109.496 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.1 141.93 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.375 1.47 . . . . 0.0 107.986 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -134.52 127.82 32.13 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.95 -0.469 . . . . 0.0 110.144 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -85.89 110.1 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 168.784 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.79 -46.55 16.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.71 -0.619 . . . . 0.0 110.08 -171.089 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.6 178.75 48.16 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.221 -0.514 . . . . 0.0 113.539 169.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.76 152.85 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 121.395 0.617 . . . . 0.0 111.272 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.8 m -149.9 110.94 4.36 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 168.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.44 -142.01 29.58 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.463 -0.875 . . . . 0.0 110.983 -168.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -85.13 3.32 39.58 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.704 0.802 . . . . 0.0 111.331 167.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.65 139.24 30.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.174 1.39 . . . . 0.0 110.535 -175.271 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' C' ' 22' ' ' ILE . 39.5 t -125.19 118.29 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -81.81 118.45 22.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 mt -124.91 129.37 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.137 1.375 . . . . 0.0 109.823 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.59 15.13 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.483 1.992 . . . . 0.0 112.16 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -125.9 123.38 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.327 1.051 . . . . 0.0 109.552 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -116.24 99.5 7.26 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.751 0.82 . . . . 0.0 109.982 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.64 155.26 80.68 Favored Pre-proline 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 109.641 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.07 150.22 87.39 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.437 2.092 . . . . 0.0 110.715 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -66.33 -1.04 3.01 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.424 0.689 . . . . 0.0 112.439 173.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -25.29 67.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.627 1.171 . . . . 0.0 111.388 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.89 152.04 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.24 1.016 . . . . 0.0 110.672 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.11 153.11 21.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.48 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.78 131.43 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 168.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -153.16 154.18 34.24 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 122.694 0.398 . . . . 0.0 111.838 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -70.37 156.64 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 166.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -59.97 -34.53 73.41 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -168.182 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.55 -19.92 62.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.67 -31.41 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.777 0.831 . . . . 0.0 110.881 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -54.5 -41.68 69.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.648 -0.658 . . . . 0.0 111.815 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -58.35 -32.81 68.89 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.539 0.736 . . . . 0.0 112.346 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -71.84 -35.59 69.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.943 0.897 . . . . 0.0 111.548 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.455 -0.197 0 CA-C-N 118.349 0.522 . . . . 0.0 110.722 174.078 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.442 ' HG2' HD11 ' D' ' 3' ' ' ILE 0.368 1.3 tpp . . . . . 0 N--CA 1.475 0.783 1 N-CA-C 98.625 -4.583 . . . . 0.0 98.625 . . . . . . . . . 3 2 . 1 . 016 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -105.96 100.26 9.82 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -167.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.442 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -91.32 135.9 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.445 1.098 . . . . 0.0 109.556 -175.25 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -136.23 162.8 31.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.016 1.326 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -112.72 113.94 26.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 165.385 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.04 144.6 43.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.744 0.418 . . . . 0.0 110.102 168.459 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -83.26 162.99 20.99 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 109.89 173.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.7 m -55.81 136.49 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.09 83.61 Favored Glycine 0 CA--C 1.526 0.776 0 CA-C-O 119.154 -0.803 . . . . 0.0 114.339 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -98.93 170.69 8.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.641 1.22 . . . . 0.0 111.556 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -132.99 160.02 38.34 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mt -142.0 165.04 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 126.651 1.98 . . . . 0.0 108.27 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -141.81 149.23 40.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.897 0.879 . . . . 0.0 112.267 -172.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -136.11 136.82 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.953 1.301 . . . . 0.0 108.99 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.34 -135.7 51.64 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -125.28 9.81 7.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.926 0.89 . . . . 0.0 111.777 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -132.27 -11.54 3.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 136.59 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.843 0.747 . . . . 0.0 110.703 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -129.11 145.17 51.35 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.769 1.228 . . . . 0.0 109.786 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -121.56 141.35 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.188 1.395 . . . . 0.0 108.111 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 55.7 m -136.01 120.85 18.57 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.433 0.693 . . . . 0.0 109.364 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -74.22 105.37 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.66 -31.69 62.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.87 -179.7 39.37 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 112.801 -0.119 . . . . 0.0 112.801 170.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -109.48 158.78 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 122.866 0.466 . . . . 0.0 110.929 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -142.83 74.78 1.46 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.685 1.194 . . . . 0.0 108.722 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.51 -117.19 4.4 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -82.46 -19.24 39.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.024 0.929 . . . . 0.0 110.629 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -74.22 138.15 43.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.085 0.469 . . . . 0.0 110.498 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.75 118.41 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -95.78 109.29 21.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.574 1.15 . . . . 0.0 108.832 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.15 119.84 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.531 0.732 . . . . 0.0 110.11 -169.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.4 131.66 10.73 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -120.61 140.17 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.57 154.69 47.86 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 124.581 1.152 . . . . 0.0 108.705 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -55.85 143.31 81.93 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 121.585 1.524 . . . . 0.0 109.536 169.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -66.6 -7.99 24.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.377 0.608 . . . . 0.0 112.582 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.97 -20.74 66.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.025 1.73 . . . . 0.0 112.79 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -121.55 160.05 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.081 0.952 . . . . 0.0 110.464 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.51 157.01 16.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.24 128.44 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.594 0.758 . . . . 0.0 109.426 168.335 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.81 173.98 14.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.671 0.789 . . . . 0.0 111.689 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -72.68 161.25 31.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 167.542 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.53 -41.47 97.37 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.53 -0.731 . . . . 0.0 111.618 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.41 -43.24 44.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.435 1.094 . . . . 0.0 112.289 171.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.53 -42.04 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.618 1.167 . . . . 0.0 111.622 -168.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -47.76 -36.5 11.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.022 1.329 . . . . 0.0 112.195 -177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.62 -26.59 65.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.084 1.353 . . . . 0.0 112.998 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -80.1 -48.08 13.8 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.885 0.766 . . . . 0.0 110.998 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.711 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.8 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 125.824 1.649 . . . . 0.0 111.42 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 119.736 -0.174 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -136.94 119.86 16.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.515 0.726 . . . . 0.0 109.498 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 mm -102.15 140.14 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.968 0.907 . . . . 0.0 110.397 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.3 161.38 36.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.206 1.403 . . . . 0.0 110.575 -177.184 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 127.74 35.92 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 168.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -135.69 126.86 28.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.155 0.982 . . . . 0.0 110.126 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -89.63 164.39 14.76 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.484 1.038 . . . . 0.0 112.207 173.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -56.6 140.19 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.903 -173.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.4 -6.3 83.73 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.015 0.817 . . . . 0.0 114.223 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.57 177.32 5.85 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.782 1.291 . . . . 0.0 111.643 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 22.7 m -139.14 157.52 45.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.715 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.19 150.36 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 126.742 2.017 . . . . 0.0 108.366 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -125.86 150.29 47.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.48 0.657 . . . . 0.0 112.394 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 51.1 mt -135.47 134.08 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.793 1.237 . . . . 0.0 109.259 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.06 -134.89 52.26 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -174.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.87 10.09 5.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.223 1.009 . . . . 0.0 112.146 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -126.28 -12.02 6.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.21 132.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 119.082 0.855 . . . . 0.0 110.909 -171.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 17.1 m -125.55 143.46 51.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.292 1.037 . . . . 0.0 110.188 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -122.51 136.88 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.219 1.408 . . . . 0.0 108.388 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 21.3 m -132.38 123.55 26.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.203 0.601 . . . . 0.0 109.828 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 22' ' ' ILE . . . . . 0.416 HG22 ' H ' ' E' ' 22' ' ' ILE . 2.0 tp -81.0 99.78 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 175.068 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.86 -30.04 68.47 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.782 0.433 . . . . 0.0 110.724 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.4 -178.24 32.14 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.972 0.796 . . . . 0.0 112.929 169.591 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -103.59 152.77 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.134 0.574 . . . . 0.0 111.188 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -144.21 90.03 2.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.485 1.114 . . . . 0.0 108.978 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -128.25 32.48 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -169.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -81.65 -21.17 38.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.505 0.652 . . . . 0.0 112.005 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.11 149.15 49.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.302 0.641 . . . . 0.0 109.845 173.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.83 121.41 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -93.66 123.07 36.74 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.081 0.552 . . . . 0.0 110.0 -175.388 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.51 131.25 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.277 0.631 . . . . 0.0 110.644 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.35 143.22 16.4 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.35 0.976 . . . . 0.0 111.381 170.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -133.49 128.23 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.868 1.267 . . . . 0.0 108.606 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -130.42 98.98 4.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -170.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.11 155.51 74.35 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.614 1.166 . . . . 0.0 110.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.41 158.48 35.84 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.833 2.356 . . . . 0.0 111.933 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -68.58 -1.04 5.88 Favored 'General case' 0 N--CA 1.458 -0.043 0 C-N-CA 123.376 0.67 . . . . 0.0 112.646 169.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.85 -23.59 67.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.72 1.208 . . . . 0.0 111.432 169.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.11 153.67 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.424 1.089 . . . . 0.0 110.327 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.02 158.67 17.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.466 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.09 129.85 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 121.942 -0.474 . . . . 0.0 110.747 169.689 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -152.69 167.65 28.25 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.746 0.818 . . . . 0.0 111.547 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtm105 -71.69 159.74 33.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 167.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -18.98 65.67 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -43.63 91.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.854 0.862 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.8 -37.92 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.342 0.657 . . . . 0.0 109.813 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.42 -36.24 53.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.58 0.752 . . . . 0.0 112.446 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.44 -21.88 62.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.969 0.908 . . . . 0.0 112.71 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.73 -47.58 45.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.194 0.598 . . . . 0.0 109.478 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 51' ' ' ILE . . . . . 0.455 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.7 mp -63.31 -22.9 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 125.145 1.378 . . . . 0.0 110.586 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 169.623 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 110.827 -0.064 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.3 150.01 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.844 0.458 . . . . 0.0 111.345 173.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.19 132.37 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 169.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.66 157.63 41.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.696 1.198 . . . . 0.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -132.78 96.95 3.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.741 0.246 . . . . 0.0 110.378 169.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 160.86 24.46 Favored 'General case' 0 N--CA 1.46 0.05 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -102.51 174.52 5.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -169.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -59.74 137.96 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.053 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -3.84 85.31 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 119.27 -0.739 . . . . 0.0 114.471 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.21 179.42 6.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.776 1.288 . . . . 0.0 111.883 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -144.66 155.87 43.81 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.035 0.934 . . . . 0.0 112.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mt -135.31 155.76 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 125.939 1.696 . . . . 0.0 108.017 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -131.46 146.03 52.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.586 -0.696 . . . . 0.0 111.636 -172.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.68 140.81 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.592 1.157 . . . . 0.0 109.225 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.75 -135.5 51.9 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -127.18 10.08 6.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.154 0.982 . . . . 0.0 112.246 170.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -130.27 -19.73 3.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.61 137.27 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 119.118 0.872 . . . . 0.0 110.767 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -136.24 142.66 44.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.35 1.06 . . . . 0.0 110.541 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -116.3 142.21 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.715 1.606 . . . . 0.0 108.213 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 35.0 m -136.69 134.25 37.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.005 0.922 . . . . 0.0 109.737 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -95.29 113.03 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.6 -28.45 37.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.538 0.335 . . . . 0.0 110.535 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.56 -169.2 32.26 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.017 0.342 . . . . 0.0 113.315 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.91 159.96 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.32 0.648 . . . . 0.0 111.909 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -148.88 96.9 2.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.426 1.09 . . . . 0.0 109.187 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.64 -102.96 1.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -102.34 -18.7 15.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.071 0.548 . . . . 0.0 112.1 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.88 144.67 47.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.104 0.562 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.96 112.34 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -87.76 125.49 34.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.67 130.51 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.164 0.986 . . . . 0.0 109.996 -168.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.58 139.12 14.27 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 169.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -126.01 136.35 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.952 0.901 . . . . 0.0 108.814 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -129.49 107.9 9.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.866 0.866 . . . . 0.0 109.172 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.28 158.5 72.24 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.687 0.795 . . . . 0.0 111.301 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.84 161.75 34.96 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.935 2.423 . . . . 0.0 112.186 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.27 -11.57 57.85 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.713 0.805 . . . . 0.0 112.735 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.96 -20.19 66.35 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.125 1.37 . . . . 0.0 112.711 175.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.13 163.95 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.655 0.782 . . . . 0.0 111.407 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.75 162.86 13.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.551 0.74 . . . . 0.0 111.579 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.04 115.36 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.251 0.62 . . . . 0.0 110.642 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -154.11 173.84 15.52 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.063 0.945 . . . . 0.0 110.936 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 30.6 ptt-85 -76.06 164.11 26.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 168.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -21.36 63.73 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -174.449 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.45 -46.58 82.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.436 0.695 . . . . 0.0 111.19 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -81.98 -30.91 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.377 0.671 . . . . 0.0 109.906 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -55.19 -37.43 67.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.49 0.716 . . . . 0.0 112.269 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.9 -23.97 64.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -76.78 -23.77 52.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.642 0.777 . . . . 0.0 111.35 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 124.97 1.308 . . . . 0.0 110.287 -172.286 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.29 111.88 24.06 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.683 0.793 . . . . 0.0 109.505 -176.104 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.3 134.01 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.528 0.731 . . . . 0.0 109.126 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.3 mt -129.67 158.18 40.05 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.268 1.027 . . . . 0.0 109.771 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 100.88 7.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.01 128.05 55.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.326 0.651 . . . . 0.0 110.714 -168.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -91.65 153.19 19.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.606 HG11 HG13 ' A' ' 25' ' ' VAL . 31.4 m -62.94 136.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 119.692 -0.803 . . . . 0.0 112.097 -169.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -2.19 63.41 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.489 1.043 . . . . 0.0 114.174 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -102.7 171.8 7.21 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.735 1.267 . . . . 0.0 111.714 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -137.26 149.29 47.02 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -168.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.4 mm -107.23 158.39 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.648 1.579 . . . . 0.0 109.511 169.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -132.79 134.58 44.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.552 1.141 . . . . 0.0 109.728 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -131.76 125.8 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.245 1.018 . . . . 0.0 109.659 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.91 -129.24 32.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.92 0.02 7.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.883 0.873 . . . . 0.0 112.333 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -132.15 -23.66 2.17 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -169.382 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.51 134.58 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.97 0.805 . . . . 0.0 110.503 -172.649 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -128.7 138.42 52.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.962 0.905 . . . . 0.0 109.301 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -118.31 140.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.381 1.073 . . . . 0.0 108.348 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 m -134.47 126.49 29.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.16 101.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 169.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.26 -37.62 74.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.87 -169.51 33.57 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 114.887 0.715 . . . . 0.0 114.887 166.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.606 HG13 HG11 ' A' ' 8' ' ' VAL . 14.2 m -89.2 158.76 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.6 0.76 . . . . 0.0 112.493 -169.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 m -147.26 60.89 1.17 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.82 1.248 . . . . 0.0 108.385 168.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -130.88 19.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -168.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -81.58 -8.37 59.71 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.419 0.688 . . . . 0.0 112.658 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 13.3 pt20 -98.85 134.69 41.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.575 1.179 . . . . 0.0 110.168 168.826 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.08 124.0 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 126.226 1.81 . . . . 0.0 108.945 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -93.96 101.9 13.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.207 0.527 . . . . 0.0 110.089 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.4 mt -108.41 135.35 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 124.952 1.301 . . . . 0.0 109.471 -176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.02 142.67 16.19 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.892 0.758 . . . . 0.0 111.663 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.43 125.41 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.194 1.398 . . . . 0.0 108.596 177.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -106.77 82.75 1.75 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.357 1.063 . . . . 0.0 108.954 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.42 153.72 44.77 Favored Pre-proline 0 N--CA 1.453 -0.284 0 C-N-CA 124.224 1.01 . . . . 0.0 110.266 169.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.87 154.06 58.48 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.322 2.015 . . . . 0.0 110.46 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.17 -2.49 13.27 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.52 -24.62 62.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.905 0.882 . . . . 0.0 111.716 169.576 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.05 144.08 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 121.953 0.882 . . . . 0.0 111.593 172.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 143.03 28.18 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.735 0.814 . . . . 0.0 110.544 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 m -132.09 130.43 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.84 0.456 . . . . 0.0 109.928 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.458 ' CD2' HD11 ' A' ' 51' ' ' ILE . 98.0 m-70 -151.58 159.6 44.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.671 0.788 . . . . 0.0 110.379 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 162.16 19.01 Favored 'General case' 0 N--CA 1.456 -0.139 0 O-C-N 122.212 -0.305 . . . . 0.0 111.774 169.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.82 -31.58 72.88 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.535 0.734 . . . . 0.0 112.365 -173.002 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.31 -25.17 22.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.317 1.047 . . . . 0.0 112.652 171.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.3 -26.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.611 1.164 . . . . 0.0 110.986 -169.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.4 -31.71 72.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.553 -0.717 . . . . 0.0 110.697 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.91 -16.54 61.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -77.84 -33.21 52.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.855 0.862 . . . . 0.0 111.087 170.773 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.458 HD11 ' CD2' ' A' ' 43' ' ' HIS . 23.3 mt -64.81 -52.47 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.659 0.784 . . . . 0.0 108.997 172.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 . . . . . 0 N--CA 1.452 -0.362 0 C-N-CA 123.705 0.802 . . . . 0.0 112.267 -173.284 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.743 -0.17 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -108.08 120.95 43.78 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 168.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.8 mt -117.52 136.6 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.751 0.42 . . . . 0.0 112.016 -166.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -138.8 139.39 38.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.677 1.191 . . . . 0.0 110.504 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.5 p -86.03 132.22 34.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 166.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.4 OUTLIER -129.86 112.99 14.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 7' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 64.7 tttt -82.58 146.45 29.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.2 129.2 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 121.216 0.531 . . . . 0.0 111.667 -168.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.57 -12.47 61.35 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.149 0.88 . . . . 0.0 114.813 -176.328 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -82.01 165.49 20.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.11 1.455 . . . . 0.0 111.66 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -133.7 157.23 46.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.598 0.759 . . . . 0.0 112.434 -171.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mt -136.86 157.15 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.907 1.683 . . . . 0.0 109.302 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -138.78 142.0 38.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.481 0.712 . . . . 0.0 111.058 -171.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -133.48 127.39 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.421 1.089 . . . . 0.0 109.608 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.87 -135.07 52.26 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -120.57 -2.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.725 0.81 . . . . 0.0 112.424 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.81 -18.85 11.23 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.47 134.79 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.901 0.773 . . . . 0.0 110.958 -170.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.38 149.35 52.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.689 1.196 . . . . 0.0 109.949 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.7 mm -129.15 145.12 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.0 1.72 . . . . 0.0 108.28 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -137.16 131.55 32.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.889 0.476 . . . . 0.0 110.06 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -82.46 95.19 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.46 -33.11 75.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.945 -0.472 . . . . 0.0 110.891 -175.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 -179.23 35.98 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 123.369 0.509 . . . . 0.0 112.058 171.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.48 145.28 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.223 0.535 . . . . 0.0 110.323 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -121.21 71.83 0.97 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.798 1.239 . . . . 0.0 108.0 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.36 -119.76 5.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -171.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.19 11.31 38.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 122.012 -0.699 . . . . 0.0 111.494 174.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -98.94 156.44 16.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.106 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.77 115.51 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.65 117.5 23.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.006 0.922 . . . . 0.0 109.724 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.38 129.81 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.393 1.077 . . . . 0.0 109.463 -171.686 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.83 136.12 13.01 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -120.08 130.57 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.86 0.838 . . . . 0.0 109.314 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -130.2 76.81 1.75 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.214 -168.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.73 157.13 63.73 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.85 176.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.11 158.01 36.67 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.026 1.818 . . . . 0.0 111.684 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -71.66 -0.9 11.95 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.909 0.884 . . . . 0.0 112.253 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.99 -25.32 67.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.255 1.422 . . . . 0.0 111.634 169.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -111.93 144.09 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.106 0.963 . . . . 0.0 109.986 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.9 143.08 27.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.491 0.662 . . . . 0.0 111.225 169.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.53 97.45 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.021 -166.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 163.77 34.35 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.92 0.488 . . . . 0.0 111.469 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -69.05 159.85 32.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.534 0.207 . . . . 0.0 111.209 169.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -55.01 -38.12 67.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.393 0.677 . . . . 0.0 112.568 -175.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -48.68 -50.63 32.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.346 0.521 . . . . 0.0 110.874 175.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -74.52 -47.94 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.084 1.354 . . . . 0.0 109.925 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.94 -37.5 44.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.263 1.025 . . . . 0.0 111.735 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -70.53 -22.89 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -83.82 -38.59 21.04 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.287 0.949 . . . . 0.0 110.735 170.091 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.67 -40.9 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -80.17 4.99 15.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.43 -19.86 48.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.913 0.485 . . . . 0.0 111.272 168.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.84 47.48 0.08 OUTLIER Glycine 0 C--N 1.338 0.639 0 CA-C-O 119.438 -0.645 . . . . 0.0 114.071 169.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -176.72 2.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.92 0.86 . . . . 0.0 112.866 -168.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.9 p -125.41 178.42 5.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.461 1.504 . . . . 0.0 109.345 167.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.65 119.02 1.08 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 124.778 1.231 . . . . 0.0 112.045 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 45.9 Cg_exo -70.37 177.48 5.96 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.847 1.698 . . . . 0.0 114.959 -169.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 125.321 1.448 . . . . 0.0 113.002 -177.713 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.44 1.9 tpp . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.388 0.613 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.45 21.87 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 168.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 130.97 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -122.95 134.98 54.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.419 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -84.12 138.0 33.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 167.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.442 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.8 ttp180 -141.22 141.16 34.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.591 0.234 . . . . 0.0 110.676 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -108.65 143.66 37.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.883 0.873 . . . . 0.0 108.848 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -52.04 130.95 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.98 -12.19 62.31 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.462 1.506 . . . . 0.0 114.351 -175.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -87.79 -179.1 6.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.396 1.598 . . . . 0.0 112.581 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 60.1 m -145.37 159.73 42.61 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -167.482 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.442 HG13 ' HD3' ' C' ' 6' ' ' ARG . 65.9 mt -135.2 159.8 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 127.655 2.382 . . . . 0.0 108.3 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -129.28 146.53 51.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.434 1.094 . . . . 0.0 111.207 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.48 141.62 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.637 1.175 . . . . 0.0 109.098 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.54 -135.81 50.11 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -170.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -123.75 10.05 8.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.907 0.883 . . . . 0.0 111.151 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.17 -8.96 3.81 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.258 1.023 . . . . 0.0 113.51 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.96 138.02 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.726 0.694 . . . . 0.0 110.95 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 16.1 m -122.65 144.07 49.36 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.699 1.2 . . . . 0.0 109.303 169.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.27 145.33 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.094 1.358 . . . . 0.0 107.854 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m -136.71 139.55 42.02 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 118.572 0.624 . . . . 0.0 110.882 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.7 tp -91.83 110.02 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.29 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.6 mt -87.84 -36.75 17.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.702 -0.623 . . . . 0.0 109.657 -172.659 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.92 175.06 39.24 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.344 -0.455 . . . . 0.0 114.019 168.525 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -112.75 148.41 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.383 0.673 . . . . 0.0 110.435 169.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 105.95 3.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.23 -142.04 28.78 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.814 -168.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.41 2.95 38.26 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.542 1.137 . . . . 0.0 110.668 168.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.97 143.31 26.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.774 1.63 . . . . 0.0 110.38 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.56 120.25 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.844 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.44 ' HG2' HD12 ' C' ' 23' ' ' LEU . 16.2 ttm180 -81.3 119.29 23.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 169.672 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 mt -117.3 130.33 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.921 1.288 . . . . 0.0 110.112 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.69 139.73 14.77 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 125.643 1.592 . . . . 0.0 111.501 171.609 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.34 137.69 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -137.98 94.22 2.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -173.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.32 153.76 69.08 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 110.803 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.18 151.58 81.24 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.936 2.424 . . . . 0.0 111.096 171.339 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -64.3 -1.04 1.46 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.554 0.741 . . . . 0.0 112.765 172.357 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.9 -22.94 66.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 111.502 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.05 146.09 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.337 1.055 . . . . 0.0 110.25 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.12 154.84 19.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.886 0.474 . . . . 0.0 111.207 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -140.19 130.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.84 0.456 . . . . 0.0 110.255 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -157.0 164.6 37.82 Favored 'General case' 0 C--N 1.337 0.035 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -69.82 150.78 46.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 165.569 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.5 -38.16 71.4 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.53 -19.32 60.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -92.74 -31.12 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 110.82 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -52.54 -43.55 65.23 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.621 -0.675 . . . . 0.0 111.454 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -62.23 -27.41 68.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.324 0.65 . . . . 0.0 112.703 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -69.07 -40.32 78.55 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.439 0.696 . . . . 0.0 111.446 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 122.433 0.293 . . . . 0.0 110.357 176.015 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.19 107.48 14.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 167.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.98 140.27 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.496 1.118 . . . . 0.0 109.623 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.91 162.0 39.65 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.519 0.728 . . . . 0.0 111.436 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -88.25 148.14 24.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 111.407 173.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -138.1 137.67 37.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.73 0.812 . . . . 0.0 109.983 169.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -85.91 155.55 20.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.254 0.479 . . . . 0.0 110.159 169.352 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -55.09 135.75 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.533 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.35 -2.59 81.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.315 0.96 . . . . 0.0 114.182 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -98.71 175.92 5.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.827 1.314 . . . . 0.0 111.931 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -133.93 161.79 33.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.293 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mt -141.83 157.25 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.171 2.189 . . . . 0.0 108.306 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.13 148.78 50.6 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.571 -0.705 . . . . 0.0 111.837 177.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -133.96 135.19 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.103 1.361 . . . . 0.0 109.545 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.86 44.0 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -124.67 1.66 8.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.883 0.873 . . . . 0.0 111.79 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -134.44 -10.77 2.47 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.41 132.15 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 118.941 0.792 . . . . 0.0 110.36 -175.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 12.2 m -120.13 147.48 44.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.759 0.824 . . . . 0.0 109.753 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -126.65 142.78 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 125.284 1.434 . . . . 0.0 108.173 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 13.3 m -138.42 128.44 25.5 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.36 102.93 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.12 -29.77 43.4 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.925 -0.484 . . . . 0.0 111.037 -169.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.17 -178.6 39.45 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 121.795 -0.241 . . . . 0.0 113.395 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -111.16 160.03 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.356 0.663 . . . . 0.0 111.394 170.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -143.73 73.25 1.38 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.11 1.364 . . . . 0.0 108.626 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.27 -116.55 4.58 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.32 -22.91 43.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.996 1.318 . . . . 0.0 110.468 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -82.99 155.69 23.83 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.552 1.141 . . . . 0.0 111.542 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -142.28 122.93 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.195 0.998 . . . . 0.0 108.412 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -83.47 124.3 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.261 0.482 . . . . 0.0 109.884 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -129.78 119.83 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.842 0.857 . . . . 0.0 109.491 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.49 141.18 19.53 Favored Glycine 0 CA--C 1.523 0.531 0 C-N-CA 124.884 1.231 . . . . 0.0 110.766 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.07 136.15 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -136.19 89.86 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.187 0.595 . . . . 0.0 109.755 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 156.51 71.2 Favored Pre-proline 0 N--CA 1.45 -0.437 0 C-N-CA 124.918 1.287 . . . . 0.0 109.422 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.29 151.6 84.08 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.916 1.744 . . . . 0.0 110.009 169.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.07 -0.86 2.66 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.031 0.532 . . . . 0.0 112.343 169.708 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.9 -23.9 66.73 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.92 1.288 . . . . 0.0 111.23 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -127.34 159.63 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.632 1.173 . . . . 0.0 110.63 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.42 157.07 16.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.952 0.501 . . . . 0.0 112.266 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.6 127.85 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.955 0.502 . . . . 0.0 109.677 167.693 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -149.55 163.67 37.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.227 0.611 . . . . 0.0 111.677 175.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -63.48 158.46 20.82 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -63.06 -33.56 75.69 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.399 0.545 . . . . 0.0 112.153 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.0 -52.63 64.95 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.532 0.605 . . . . 0.0 110.798 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.85 -44.84 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.943 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -48.96 -42.56 37.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.788 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -57.76 -26.48 61.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.822 0.849 . . . . 0.0 112.926 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.81 -33.36 60.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.713 1.205 . . . . 0.0 110.841 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.663 ' N ' HD12 ' D' ' 51' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.453 -0.301 0 C-N-CA 126.924 2.09 . . . . 0.0 109.851 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tt -104.99 140.03 38.79 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.511 1.524 . . . . 0.0 109.337 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.1 139.54 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.866 0.866 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.6 mt -134.09 165.03 26.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.579 1.552 . . . . 0.0 110.657 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 99.76 5.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 168.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -104.99 129.88 53.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.124 1.369 . . . . 0.0 111.871 -169.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -80.07 155.12 27.7 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.307 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.71 137.08 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 111.498 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.99 -4.11 83.01 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.157 -0.801 . . . . 0.0 114.319 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -94.44 178.42 5.62 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.901 1.35 . . . . 0.0 111.489 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -138.43 156.83 47.21 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -169.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.8 mt -136.12 157.6 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 126.534 1.934 . . . . 0.0 108.114 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.43 149.78 48.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.489 -0.757 . . . . 0.0 112.909 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -137.52 138.72 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.677 1.191 . . . . 0.0 109.075 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.66 -138.14 49.58 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.0 10.01 7.54 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.072 0.949 . . . . 0.0 112.446 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.26 -11.48 4.12 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.62 135.17 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 119.247 0.93 . . . . 0.0 111.194 -169.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -127.04 143.64 51.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.353 1.061 . . . . 0.0 110.229 174.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -121.23 136.38 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.358 1.463 . . . . 0.0 108.189 175.454 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -132.5 123.56 26.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.246 0.618 . . . . 0.0 109.823 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -80.97 102.37 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 175.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.5 -31.75 68.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.552 0.341 . . . . 0.0 110.69 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.68 -169.69 32.36 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.386 0.517 . . . . 0.0 113.241 170.015 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.76 160.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -149.98 98.1 2.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.592 1.557 . . . . 0.0 108.95 169.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.89 -119.82 8.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -173.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.4 -12.09 35.81 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.548 0.674 . . . . 0.0 111.416 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -83.32 141.0 32.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.822 0.82 . . . . 0.0 110.697 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.09 109.65 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -168.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -89.16 122.04 32.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.07 126.39 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.158 0.983 . . . . 0.0 110.098 -169.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.57 139.97 17.71 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.075 0.845 . . . . 0.0 111.027 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.2 mt -130.88 124.79 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.781 1.232 . . . . 0.0 108.555 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -127.77 99.02 5.38 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.5 155.89 71.67 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.648 1.179 . . . . 0.0 110.6 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.72 159.23 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.972 2.448 . . . . 0.0 112.088 171.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -68.74 -0.9 5.9 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.429 0.691 . . . . 0.0 112.687 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.9 -24.01 67.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.839 1.255 . . . . 0.0 111.544 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.08 156.04 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.216 1.006 . . . . 0.0 110.766 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.58 154.4 20.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.648 173.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.12 126.01 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.873 0.469 . . . . 0.0 110.171 168.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -149.49 165.76 31.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.24 1.016 . . . . 0.0 109.838 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -77.47 161.65 27.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.678 -0.639 . . . . 0.0 109.835 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.91 -22.35 59.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.19 -51.39 61.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.004 0.922 . . . . 0.0 111.41 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.39 -32.74 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.668 0.787 . . . . 0.0 109.582 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 71.0 t80 -55.96 -36.17 67.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.193 0.597 . . . . 0.0 112.607 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.89 -28.69 67.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.845 -0.534 . . . . 0.0 112.325 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -71.66 -23.67 61.71 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.112 0.565 . . . . 0.0 110.361 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -99.16 -27.15 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.73 1.612 . . . . 0.0 112.288 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 74.2 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tpt . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -97.56 150.36 21.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.874 0.47 . . . . 0.0 111.452 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 169.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.46 150.2 35.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.642 1.577 . . . . 0.0 108.875 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -122.43 101.09 7.29 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.318 0.58 . . . . 0.0 110.344 169.017 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -104.97 144.56 31.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.399 1.479 . . . . 0.0 109.367 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -107.29 164.33 12.27 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.867 1.212 . . . . 0.0 113.485 169.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -53.89 134.85 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.925 -169.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.28 -11.0 69.41 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.356 0.979 . . . . 0.0 114.122 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -97.26 176.96 5.72 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.759 1.28 . . . . 0.0 112.33 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -136.09 161.25 36.22 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -136.49 156.7 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 127.114 2.166 . . . . 0.0 107.982 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -131.75 151.45 51.64 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.328 -0.858 . . . . 0.0 112.639 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.63 141.22 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.64 1.176 . . . . 0.0 109.053 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.62 -137.25 49.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -121.63 10.08 10.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.352 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.65 -17.46 1.11 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.12 137.77 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.119 0.872 . . . . 0.0 110.717 -171.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -126.29 141.03 52.07 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.212 1.005 . . . . 0.0 110.361 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -118.17 139.87 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.548 1.539 . . . . 0.0 107.931 171.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -136.35 127.92 28.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.147 0.579 . . . . 0.0 109.779 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.89 108.11 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.75 -29.98 45.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.83 0.452 . . . . 0.0 110.89 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.61 -170.44 34.64 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 123.262 0.458 . . . . 0.0 113.029 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.16 151.11 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 112.033 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.7 m -139.9 90.03 2.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.317 1.447 . . . . 0.0 108.768 170.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.83 -125.07 29.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.661 -0.575 . . . . 0.0 111.661 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -80.11 -15.57 56.83 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.05 142.09 31.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.458 0.647 . . . . 0.0 110.327 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -128.74 117.06 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -85.93 117.86 25.04 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.18 133.97 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.861 0.864 . . . . 0.0 109.791 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.82 141.47 15.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.153 0.883 . . . . 0.0 111.308 172.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.05 137.64 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.317 1.047 . . . . 0.0 109.597 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -131.65 106.44 8.16 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.129 0.972 . . . . 0.0 109.605 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.31 158.15 75.19 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.798 0.839 . . . . 0.0 111.472 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.19 162.63 29.07 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.953 2.435 . . . . 0.0 112.338 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.82 -4.9 14.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 169.146 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.48 -23.62 66.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.236 1.414 . . . . 0.0 112.153 173.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -129.17 164.8 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 111.007 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.74 161.51 14.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.308 0.643 . . . . 0.0 111.399 170.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.96 122.57 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.404 0.682 . . . . 0.0 110.37 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.6 173.53 15.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.168 0.987 . . . . 0.0 110.252 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -78.29 163.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.792 -0.568 . . . . 0.0 109.96 169.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -60.73 -29.96 69.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.854 0.461 . . . . 0.0 112.205 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.68 -44.61 77.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.021 0.928 . . . . 0.0 111.615 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -89.17 -30.67 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.602 0.761 . . . . 0.0 110.298 -170.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -49.85 -35.35 22.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 112.714 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -59.95 -22.0 61.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.05 0.94 . . . . 0.0 112.694 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -72.91 -47.77 42.86 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.502 ' N ' HD12 ' F' ' 51' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.455 -0.212 0 C-N-CA 125.456 1.502 . . . . 0.0 110.554 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 ttp . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.18 108.76 20.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.696 0.798 . . . . 0.0 109.979 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.12 135.03 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.54 157.58 41.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 109.748 172.25 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -119.12 100.98 7.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.56 ' HG2' HD11 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -117.96 143.26 46.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.868 0.867 . . . . 0.0 110.622 -168.118 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -108.45 160.34 15.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.88 -0.512 . . . . 0.0 110.631 -170.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -47.73 126.02 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.324 0.649 . . . . 0.0 110.555 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 -5.91 78.3 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.511 1.053 . . . . 0.0 114.921 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -80.3 159.69 25.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.926 1.363 . . . . 0.0 111.249 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 m -134.3 133.15 40.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.485 0.714 . . . . 0.0 112.313 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.1 mm -102.18 155.75 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 124.676 1.19 . . . . 0.0 109.922 173.412 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.33 135.22 46.04 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.098 0.959 . . . . 0.0 110.846 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.72 124.57 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.15 0.98 . . . . 0.0 110.892 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.89 -121.47 23.51 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 166.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -80.53 0.9 31.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -165.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 147.0 7.28 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 128.419 2.688 . . . . 0.0 112.17 168.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.1 mp -69.95 129.02 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 O-C-N 120.859 -1.151 . . . . 0.0 109.379 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -123.37 135.0 53.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.23 0.612 . . . . 0.0 109.913 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 mm -122.59 119.91 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.754 0.822 . . . . 0.0 109.229 -171.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.9 m -116.19 133.2 56.28 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.797 0.726 . . . . 0.0 110.574 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -83.92 105.62 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -27.42 60.85 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.0 -167.99 38.28 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 122.779 0.228 . . . . 0.0 113.249 168.216 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.35 154.18 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.892 0.877 . . . . 0.0 111.399 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -133.99 73.2 1.49 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.511 1.124 . . . . 0.0 109.466 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.25 -120.31 7.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -83.66 6.47 20.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.124 0.57 . . . . 0.0 111.989 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -98.82 158.43 15.63 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.909 0.861 . . . . 0.0 111.29 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -142.05 107.99 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.834 1.654 . . . . 0.0 108.319 -168.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -94.89 101.9 13.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.206 0.602 . . . . 0.0 110.096 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.8 mt -106.99 134.54 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.212 1.405 . . . . 0.0 110.209 -174.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.4 134.64 12.17 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -108.25 128.49 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.114 1.366 . . . . 0.0 108.448 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -117.59 74.91 0.96 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.23 1.012 . . . . 0.0 109.414 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 152.41 39.4 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 125.09 1.356 . . . . 0.0 110.693 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.32 153.07 61.62 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.503 2.135 . . . . 0.0 110.242 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.02 -2.31 12.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.69 -24.97 63.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.859 0.864 . . . . 0.0 111.903 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -114.9 144.07 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 121.964 0.887 . . . . 0.0 111.709 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.02 143.1 29.99 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.918 0.887 . . . . 0.0 110.622 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.93 128.69 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.767 0.427 . . . . 0.0 110.148 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CD2' HD11 ' A' ' 51' ' ' ILE . 99.1 m-70 -151.7 156.81 41.09 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.729 0.812 . . . . 0.0 110.524 -173.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 162.48 18.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.923 170.487 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.67 -32.0 73.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.54 0.736 . . . . 0.0 112.429 -172.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.41 -25.94 17.82 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.612 1.165 . . . . 0.0 112.665 170.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -116.92 -24.74 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.573 1.149 . . . . 0.0 110.921 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -61.43 -31.53 71.47 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.792 0.723 . . . . 0.0 110.817 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.28 -15.74 61.4 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 111.815 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.8 -34.93 33.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.207 1.003 . . . . 0.0 110.879 169.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.449 HD11 ' CD2' ' A' ' 43' ' ' HIS . 38.5 mt -62.14 -52.44 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.813 0.845 . . . . 0.0 109.035 175.315 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 123.695 0.798 . . . . 0.0 112.67 -174.3 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.7 120.2 41.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.773 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 63.7 mt -115.62 140.03 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 121.017 0.437 . . . . 0.0 112.105 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -133.93 127.76 33.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 63.4 m -89.8 101.54 14.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 169.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.9 172.94 7.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.242 1.417 . . . . 0.0 109.77 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -145.41 158.05 43.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.293 1.037 . . . . 0.0 108.777 167.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.38 133.8 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -168.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.18 64.66 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 114.866 -1.061 . . . . 0.0 114.512 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.77 171.2 13.38 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.825 1.312 . . . . 0.0 111.846 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -135.51 157.6 46.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.81 0.844 . . . . 0.0 112.163 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -131.88 157.48 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 125.606 1.562 . . . . 0.0 109.2 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -136.58 138.87 41.69 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.88 0.872 . . . . 0.0 110.68 -173.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -133.71 129.61 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.257 1.023 . . . . 0.0 109.639 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.94 -135.69 51.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -120.51 0.52 10.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.64 0.776 . . . . 0.0 112.212 173.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -119.26 -17.01 8.97 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -170.261 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.85 135.28 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 118.774 0.716 . . . . 0.0 110.856 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -130.45 149.13 52.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.77 1.228 . . . . 0.0 109.731 170.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 mm -126.81 145.45 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.762 1.625 . . . . 0.0 108.256 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -134.89 129.56 34.56 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.07 0.548 . . . . 0.0 110.12 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' ILE . . . . . 0.725 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.2 tp -85.45 98.61 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -69.92 -31.27 68.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.088 -0.383 . . . . 0.0 111.156 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.4 177.34 31.4 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 123.567 0.603 . . . . 0.0 112.885 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -111.33 152.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.951 0.501 . . . . 0.0 110.842 176.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -130.65 78.52 1.85 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.656 1.183 . . . . 0.0 108.895 170.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.17 -119.43 5.03 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.67 8.83 43.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.387 0.675 . . . . 0.0 110.821 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -98.93 151.97 20.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.674 0.789 . . . . 0.0 110.198 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.94 109.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 123.702 0.801 . . . . 0.0 108.94 -169.41 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.75 116.75 22.84 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.317 1.047 . . . . 0.0 109.175 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.725 HG22 ' HA ' ' B' ' 22' ' ' ILE . 5.7 pt -134.89 141.88 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.257 0.623 . . . . 0.0 111.403 -177.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.18 141.76 15.58 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 124.123 0.868 . . . . 0.0 111.539 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.4 mt -119.53 131.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.036 0.935 . . . . 0.0 108.933 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -131.1 75.7 1.67 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.532 -167.66 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 157.48 56.93 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.673 175.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.18 154.88 43.09 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 121.904 1.736 . . . . 0.0 110.884 169.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -66.6 -0.75 3.04 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.43 0.692 . . . . 0.0 112.274 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.9 -27.4 68.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.163 1.385 . . . . 0.0 111.431 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -108.81 144.06 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.513 1.125 . . . . 0.0 110.303 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.41 142.06 28.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.452 0.644 . . . . 0.0 111.497 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.2 t -142.84 95.07 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.23 -166.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.67 163.76 34.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.905 0.882 . . . . 0.0 110.858 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.51 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.5 ptt180 -76.94 161.32 28.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.241 0.616 . . . . 0.0 112.608 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -54.82 -40.06 69.17 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.702 0.801 . . . . 0.0 112.229 -171.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.45 -24.27 67.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.511 -0.743 . . . . 0.0 112.692 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -88.08 -47.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.18 0.992 . . . . 0.0 110.464 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -50.91 -36.97 41.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.237 1.415 . . . . 0.0 112.169 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.65 -23.32 63.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.3 mpt_? -78.97 -39.01 35.53 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 118.932 0.787 . . . . 0.0 110.456 170.379 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' B' ' 55' ' ' LEU . 92.0 mt -65.65 -41.15 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.068 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.17 4.98 13.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.04 -20.02 46.24 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.93 -0.481 . . . . 0.0 111.505 168.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.04 46.41 0.07 OUTLIER Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.38 -0.678 . . . . 0.0 114.531 168.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.04 -175.67 2.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.017 0.908 . . . . 0.0 113.074 -168.318 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -125.94 -179.92 4.91 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.465 1.506 . . . . 0.0 109.015 167.454 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.33 121.4 1.33 Allowed Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 124.355 1.062 . . . . 0.0 111.91 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -68.26 -175.17 0.77 Allowed 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.012 2.474 . . . . 0.0 112.951 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.717 169.186 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.82 107.43 16.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 167.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -83.22 132.16 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.583 0.753 . . . . 0.0 109.471 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 80.0 mt -125.46 134.92 51.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 169.126 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -93.53 150.05 20.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.32 169.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.46 ' HD3' HG13 ' C' ' 12' ' ' ILE . 21.8 ttp180 -145.99 146.92 31.18 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.558 -174.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.481 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.1 tptm -103.7 149.86 24.57 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -56.52 135.17 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.075 0.852 . . . . 0.0 112.479 -172.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -5.85 76.83 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.288 1.423 . . . . 0.0 114.608 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' GLU . . . . . 0.445 ' HB2' ' HG2' ' C' ' 6' ' ' ARG . 99.1 mt-10 -86.32 -172.33 3.99 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.456 1.628 . . . . 0.0 112.289 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.2 m -148.23 158.65 44.21 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.68 1.192 . . . . 0.0 112.903 -168.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.46 HG13 ' HD3' ' C' ' 6' ' ' ARG . 44.1 mt -135.78 157.66 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 C-N-CA 127.327 2.251 . . . . 0.0 108.192 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -128.08 146.5 50.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.711 0.805 . . . . 0.0 111.612 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -132.06 137.33 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.619 1.168 . . . . 0.0 108.73 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -135.07 51.8 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.12 5.67 9.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.018 0.927 . . . . 0.0 111.785 172.505 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.19 -8.27 4.8 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.8 135.8 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 118.68 0.673 . . . . 0.0 110.596 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -121.94 137.9 54.62 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.604 1.161 . . . . 0.0 109.167 169.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -116.51 141.14 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -131.29 136.81 48.47 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.303 0.501 . . . . 0.0 110.449 -173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 tp -94.46 111.85 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 23' ' ' LEU . . . . . 0.406 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.9 mt -90.01 -33.91 16.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.42 -168.08 39.24 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-O 120.186 -0.23 . . . . 0.0 113.094 167.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.86 163.98 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 CA-C-O 121.541 0.686 . . . . 0.0 111.86 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 m -146.85 69.95 1.19 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 108.655 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.04 -109.14 2.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -168.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.44 -6.38 30.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLN . . . . . 0.478 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -93.97 160.02 14.91 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 122.05 0.929 . . . . 0.0 111.969 171.756 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.01 117.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' C' ' 23' ' ' LEU . 13.5 ttm180 -75.83 107.28 7.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 170.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -110.65 133.49 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.161 1.384 . . . . 0.0 109.118 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.69 142.02 15.39 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.576 1.084 . . . . 0.0 111.867 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -132.27 114.65 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.89 1.276 . . . . 0.0 107.675 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -123.34 98.56 5.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 110.234 -168.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.44 62.79 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 124.474 1.11 . . . . 0.0 109.805 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.27 151.28 80.18 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.625 2.216 . . . . 0.0 111.222 171.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -64.36 -0.94 1.44 Allowed 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.693 0.797 . . . . 0.0 112.745 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.89 -23.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.345 1.058 . . . . 0.0 111.569 169.67 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -120.44 146.21 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.082 0.953 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 152.1 23.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.784 0.434 . . . . 0.0 111.054 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -136.52 133.49 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.068 0.547 . . . . 0.0 109.711 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -153.71 158.43 41.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.994 0.518 . . . . 0.0 111.606 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -72.04 155.09 40.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 166.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.75 -30.86 69.15 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.66 -45.45 81.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.877 0.871 . . . . 0.0 111.69 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -88.95 -30.89 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.252 0.621 . . . . 0.0 110.609 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -50.91 -38.82 52.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.469 0.708 . . . . 0.0 112.164 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.15 -32.35 68.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.634 0.774 . . . . 0.0 112.267 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -70.15 -39.13 75.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.191 0.596 . . . . 0.0 111.804 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.454 -0.244 0 CA-C-N 118.039 0.381 . . . . 0.0 110.047 177.883 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -116.83 119.41 35.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.645 1.178 . . . . 0.0 109.553 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.24 136.13 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.296 1.038 . . . . 0.0 110.013 -169.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.5 164.68 28.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.004 1.322 . . . . 0.0 111.607 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -106.59 115.02 29.47 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 164.814 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.13 127.31 53.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.692 0.797 . . . . 0.0 110.147 172.56 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 66.6 mttt -83.81 156.17 22.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.928 0.785 . . . . 0.0 111.356 170.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.05 134.04 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.326 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.94 -5.63 72.6 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.58 1.086 . . . . 0.0 114.226 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -95.23 179.08 5.31 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.854 1.327 . . . . 0.0 112.013 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -137.82 158.18 44.9 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -169.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.8 mt -137.08 159.95 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 127.262 2.225 . . . . 0.0 108.386 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -134.92 149.72 50.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.662 0.785 . . . . 0.0 112.284 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -134.56 136.26 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.951 1.301 . . . . 0.0 108.963 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.77 -135.92 51.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -176.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.45 5.51 9.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.774 0.83 . . . . 0.0 112.151 174.16 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -128.81 -10.89 4.91 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -172.502 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.61 135.96 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.833 0.742 . . . . 0.0 110.865 -170.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.1 m -122.3 145.45 48.23 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.764 1.226 . . . . 0.0 109.574 172.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.36 139.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.242 1.417 . . . . 0.0 107.98 176.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -132.33 125.81 31.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.131 0.572 . . . . 0.0 109.466 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.32 100.42 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 mt -75.29 -31.96 60.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.124 0.57 . . . . 0.0 110.689 -169.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.16 -172.33 42.17 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 122.16 -0.067 . . . . 0.0 113.259 172.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -117.55 160.17 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.806 0.842 . . . . 0.0 110.446 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -144.24 78.4 1.58 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.661 0.784 . . . . 0.0 109.075 169.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.96 -114.76 3.89 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -174.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 28' ' ' GLN . . . . . 0.481 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -94.08 -5.85 46.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.33 0.652 . . . . 0.0 110.266 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -73.26 153.04 40.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.8 0.81 . . . . 0.0 111.726 169.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.1 118.67 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 126.33 1.852 . . . . 0.0 106.514 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -93.1 114.42 26.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -122.17 123.93 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.222 0.609 . . . . 0.0 110.241 -168.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.74 133.35 11.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.91 139.31 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.515 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -135.28 89.92 2.57 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.92 154.52 49.64 Favored Pre-proline 0 N--CA 1.45 -0.44 0 C-N-CA 124.725 1.21 . . . . 0.0 108.4 171.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -55.53 143.1 79.71 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 121.318 1.345 . . . . 0.0 109.535 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -65.93 -7.59 17.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.381 0.672 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.98 -22.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.135 1.774 . . . . 0.0 112.773 169.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.77 160.05 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 124.091 0.956 . . . . 0.0 110.57 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.11 157.04 16.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.09 124.4 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.92 0.888 . . . . 0.0 109.66 168.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -150.02 163.56 37.82 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.956 0.902 . . . . 0.0 111.13 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -65.87 158.14 28.69 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.852 -0.53 . . . . 0.0 110.042 168.798 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.52 -24.56 67.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.567 0.747 . . . . 0.0 112.186 -177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.78 -51.14 61.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.523 -0.736 . . . . 0.0 111.022 169.676 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -69.1 -35.07 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.274 1.03 . . . . 0.0 109.855 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.13 -45.67 86.92 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.785 -0.572 . . . . 0.0 111.022 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.59 -24.75 65.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.123 0.569 . . . . 0.0 112.458 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -45.21 83.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.191 0.996 . . . . 0.0 109.659 172.535 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 N--CA 1.451 -0.41 0 C-N-CA 124.461 1.104 . . . . 0.0 110.91 -173.09 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 tt -107.63 134.24 50.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 110.1 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.97 139.01 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.504 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 mt -136.24 165.02 26.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.805 1.642 . . . . 0.0 110.499 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 5' ' ' THR . . . . . 0.551 HG22 ' HG3' ' F' ' 29' ' ' GLN . 2.6 m -129.41 101.34 5.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 167.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.95 132.7 50.86 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.315 1.046 . . . . 0.0 111.396 -172.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -79.64 155.38 28.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.478 0.711 . . . . 0.0 111.15 171.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 8' ' ' VAL . . . . . 0.821 HG11 HG12 ' E' ' 25' ' ' VAL . 31.1 m -60.03 139.28 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.6 -3.78 86.15 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-O 119.004 -0.887 . . . . 0.0 113.967 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.86 176.69 6.03 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.967 1.384 . . . . 0.0 111.758 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -135.28 157.94 45.64 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -168.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -136.84 157.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 126.648 1.979 . . . . 0.0 107.956 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -137.07 150.01 47.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.281 -0.887 . . . . 0.0 112.939 -173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.6 138.98 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.802 1.241 . . . . 0.0 109.173 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 -134.96 49.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -127.21 10.07 6.81 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.114 0.965 . . . . 0.0 111.706 170.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.12 -5.84 2.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -119.48 134.26 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.737 0.699 . . . . 0.0 110.557 -174.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -123.49 141.89 51.55 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.216 1.006 . . . . 0.0 109.923 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.98 137.58 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.204 1.402 . . . . 0.0 107.992 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -130.91 128.03 39.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -83.78 101.35 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 170.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.13 -33.1 69.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.855 0.462 . . . . 0.0 110.457 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.74 -167.31 38.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 25' ' ' VAL . . . . . 0.821 HG12 HG11 ' E' ' 8' ' ' VAL . 10.1 p -145.92 136.1 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.302 1.041 . . . . 0.0 112.082 -166.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -150.14 127.57 11.47 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.93 0.892 . . . . 0.0 110.62 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.6 42.7 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 28' ' ' GLN . . . . . 0.487 ' HA ' HG11 ' F' ' 25' ' ' VAL . 17.2 mm100 -90.25 -13.42 35.43 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.025 0.53 . . . . 0.0 111.45 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -80.7 144.62 32.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.762 1.225 . . . . 0.0 111.575 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -138.44 116.73 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -170.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -80.48 113.62 18.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.21 130.64 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 110.2 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.76 15.71 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 124.472 1.034 . . . . 0.0 111.488 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.69 126.99 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.632 1.173 . . . . 0.0 108.919 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -128.44 98.99 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.43 72.56 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.553 1.141 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.99 158.94 36.19 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.838 2.358 . . . . 0.0 112.084 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -68.57 -0.87 5.63 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 123.569 0.748 . . . . 0.0 112.584 169.64 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.98 -24.5 67.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.845 1.258 . . . . 0.0 111.59 169.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.74 153.93 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.267 1.027 . . . . 0.0 110.451 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.9 154.6 20.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.325 172.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.1 127.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.705 0.402 . . . . 0.0 110.503 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -150.59 165.46 33.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.284 1.034 . . . . 0.0 110.131 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ptt85 -77.95 161.99 27.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.806 -0.559 . . . . 0.0 109.617 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.44 -26.84 61.8 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.53 -47.29 82.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.121 0.968 . . . . 0.0 111.54 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.49 -34.31 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 123.184 0.594 . . . . 0.0 109.909 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -50.34 -35.87 29.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.921 0.888 . . . . 0.0 112.795 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -60.47 -21.93 62.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.172 0.989 . . . . 0.0 112.759 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -73.14 -49.37 28.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 51' ' ' ILE . . . . . 0.492 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.4 mp -64.3 -23.03 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.07 1.348 . . . . 0.0 110.823 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 169.887 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.753 -0.091 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.04 148.44 25.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.075 0.55 . . . . 0.0 111.51 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.31 138.22 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.596 0.758 . . . . 0.0 109.831 172.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -133.2 161.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.967 1.307 . . . . 0.0 110.428 177.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 101.01 7.42 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.7 131.45 53.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.16 1.384 . . . . 0.0 110.134 -174.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -99.15 166.01 11.44 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.683 1.128 . . . . 0.0 112.969 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 8' ' ' VAL . . . . . 0.689 HG11 HG12 ' F' ' 25' ' ' VAL . 4.3 m -52.41 139.31 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -7.68 79.55 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.21 0.91 . . . . 0.0 113.882 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -91.79 165.75 13.11 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.578 1.189 . . . . 0.0 111.688 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -128.35 155.26 44.95 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -136.43 159.44 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.951 2.1 . . . . 0.0 107.661 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -137.38 148.98 46.62 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.495 -0.753 . . . . 0.0 112.558 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 mt -136.19 140.82 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.621 1.168 . . . . 0.0 109.093 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.68 -139.04 48.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.69 10.14 11.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.998 0.919 . . . . 0.0 111.851 170.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.94 -16.91 1.43 Allowed 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.55 137.1 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 119.072 0.851 . . . . 0.0 110.643 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -124.15 141.3 52.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.072 0.949 . . . . 0.0 110.202 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.32 137.72 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.321 1.448 . . . . 0.0 108.025 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -136.16 130.07 32.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.862 0.465 . . . . 0.0 109.932 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.64 112.73 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -84.43 -27.65 27.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.032 0.533 . . . . 0.0 111.305 -172.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.66 -177.01 36.35 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 122.909 0.29 . . . . 0.0 113.626 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 25' ' ' VAL . . . . . 0.689 HG12 HG11 ' F' ' 8' ' ' VAL . 2.6 p -135.05 136.07 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 124.299 1.04 . . . . 0.0 111.854 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -140.91 89.98 2.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.038 1.335 . . . . 0.0 109.623 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.39 -130.45 40.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.85 -20.19 60.5 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.106 0.562 . . . . 0.0 111.838 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 29' ' ' GLN . . . . . 0.551 ' HG3' HG22 ' E' ' 5' ' ' THR . 31.6 tt0 -87.73 129.08 35.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.762 0.825 . . . . 0.0 110.322 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.0 123.05 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -87.89 127.18 35.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.87 142.0 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.586 0.755 . . . . 0.0 110.408 -168.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.85 142.17 14.44 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 123.968 0.794 . . . . 0.0 111.646 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.01 138.87 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.605 1.162 . . . . 0.0 109.614 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -131.84 106.82 8.33 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.013 0.925 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.82 157.86 76.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 124.186 0.994 . . . . 0.0 111.306 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.72 162.07 33.19 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 122.982 2.455 . . . . 0.0 112.172 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -71.71 -4.25 26.42 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.428 0.691 . . . . 0.0 112.529 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.76 -20.64 64.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.677 1.191 . . . . 0.0 112.361 171.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -127.07 163.93 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.949 0.9 . . . . 0.0 111.025 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.82 161.02 13.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.36 0.664 . . . . 0.0 111.23 171.201 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.03 126.19 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.413 0.685 . . . . 0.0 110.258 170.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -152.67 175.2 13.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.313 1.045 . . . . 0.0 110.028 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.97 162.91 26.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.776 -0.578 . . . . 0.0 109.843 168.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.5 -29.87 69.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.888 0.475 . . . . 0.0 112.176 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.72 -45.27 77.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.107 0.963 . . . . 0.0 111.709 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.04 -31.56 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.664 0.786 . . . . 0.0 110.249 -170.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -49.81 -35.67 23.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.392 1.077 . . . . 0.0 112.747 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -59.64 -22.0 61.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.132 0.973 . . . . 0.0 112.617 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.48 -49.03 28.84 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.133 0.573 . . . . 0.0 109.476 174.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.501 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.1 mp . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 125.242 1.417 . . . . 0.0 110.732 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 ttp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.7 113.02 24.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.544 0.737 . . . . 0.0 109.783 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.06 134.97 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.572 0.749 . . . . 0.0 109.269 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -131.86 166.75 20.9 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.212 1.005 . . . . 0.0 109.724 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -126.98 132.95 50.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.774 0.83 . . . . 0.0 108.804 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -125.9 170.46 11.64 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.744 0.817 . . . . 0.0 109.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -132.18 158.11 42.56 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.525 HG13 ' HA2' ' A' ' 24' ' ' GLY . 67.3 t -46.45 123.96 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 120.623 0.249 . . . . 0.0 111.037 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.26 -4.82 58.76 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.567 1.08 . . . . 0.0 114.388 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -96.0 172.39 8.03 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.764 1.282 . . . . 0.0 112.284 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -141.2 160.49 39.99 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -168.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.9 mm -132.96 155.34 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 126.839 2.055 . . . . 0.0 108.12 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -129.24 144.21 51.14 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.407 1.083 . . . . 0.0 111.015 -177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -135.84 127.82 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.769 0.828 . . . . 0.0 109.548 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.96 -131.24 48.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -173.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.42 4.99 5.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.888 0.875 . . . . 0.0 112.723 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -121.37 -17.67 7.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.35 135.83 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 119.071 0.85 . . . . 0.0 110.856 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -131.28 143.17 50.35 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.437 1.095 . . . . 0.0 109.945 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -122.08 143.92 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.166 1.386 . . . . 0.0 108.729 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -139.21 132.95 30.68 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.504 0.722 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -84.56 98.88 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.45 -28.89 63.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.075 -0.39 . . . . 0.0 110.167 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 174.61 -178.06 46.52 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 123.476 0.56 . . . . 0.0 113.259 169.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.22 146.94 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.801 0.84 . . . . 0.0 110.912 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.9 m -138.02 63.45 1.54 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.776 1.23 . . . . 0.0 110.294 -169.508 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -121.49 8.09 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.27 -5.67 54.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.097 0.559 . . . . 0.0 111.787 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.99 157.67 16.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.665 0.745 . . . . 0.0 111.995 170.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.22 128.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.903 1.681 . . . . 0.0 108.959 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -109.44 101.95 10.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.362 0.665 . . . . 0.0 110.705 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -116.02 136.34 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.445 1.098 . . . . 0.0 110.474 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.25 143.3 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.306 0.955 . . . . 0.0 111.831 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.31 138.43 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.637 1.575 . . . . 0.0 108.308 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -127.22 75.03 1.55 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.593 1.157 . . . . 0.0 109.161 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.27 154.39 42.91 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.417 1.487 . . . . 0.0 110.582 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.46 155.49 55.18 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.529 2.153 . . . . 0.0 110.677 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -68.54 -2.56 9.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.92 -30.65 71.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.914 0.886 . . . . 0.0 111.26 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -119.99 144.01 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 122.025 0.916 . . . . 0.0 111.74 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.09 143.02 37.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.327 1.051 . . . . 0.0 111.51 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.38 116.33 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 C-N-CA 123.344 0.657 . . . . 0.0 109.381 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' CG ' HD11 ' A' ' 51' ' ' ILE . 49.1 m80 -150.91 156.87 42.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' B' ' 12' ' ' ILE . 2.2 ptm85 -78.32 152.8 32.2 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.659 0.784 . . . . 0.0 112.074 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.85 -27.3 67.42 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.981 0.513 . . . . 0.0 112.124 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -68.12 -13.08 61.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.85 0.86 . . . . 0.0 112.574 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.46 -23.3 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.969 1.308 . . . . 0.0 111.048 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.39 -31.0 71.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.4 -0.812 . . . . 0.0 110.252 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -73.55 -12.05 60.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.811 0.844 . . . . 0.0 111.832 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.57 -33.74 31.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.483 1.113 . . . . 0.0 110.793 169.159 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.444 HD11 ' CG ' ' A' ' 43' ' ' HIS . 42.4 mt -65.46 -51.96 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.355 1.062 . . . . 0.0 109.007 178.029 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 . . . . . 0 N--CA 1.453 -0.324 0 C-N-CA 123.562 0.745 . . . . 0.0 112.053 -174.761 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 119.397 -0.335 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -110.92 120.2 41.59 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.983 1.313 . . . . 0.0 107.801 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -117.45 140.08 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -165.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -132.74 135.4 45.72 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.576 1.15 . . . . 0.0 110.898 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -105.22 104.39 14.11 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 27.9 mtm-85 -112.63 173.14 6.52 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.829 1.252 . . . . 0.0 110.065 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -114.7 166.96 11.18 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 118.182 0.446 . . . . 0.0 111.866 169.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.57 132.65 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.456 0.646 . . . . 0.0 111.178 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -1.35 71.35 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 114.609 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -76.68 159.74 29.96 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.251 1.525 . . . . 0.0 112.305 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -134.91 141.21 46.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.656 1.183 . . . . 0.0 110.548 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 44' ' ' ARG . 41.2 mm -132.56 151.31 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 125.951 1.7 . . . . 0.0 109.153 -172.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -126.95 143.06 51.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.283 1.033 . . . . 0.0 111.015 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -132.51 131.28 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.001 0.921 . . . . 0.0 109.631 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -133.78 52.6 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.08 5.03 5.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.801 . . . . 0.0 112.784 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -113.04 -19.29 11.94 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.98 136.95 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.015 0.825 . . . . 0.0 111.755 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -131.66 149.84 52.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.87 1.268 . . . . 0.0 109.766 169.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -132.0 144.64 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 126.124 1.77 . . . . 0.0 108.345 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -137.92 130.45 29.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.064 0.546 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.78 103.39 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -73.68 -32.41 63.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.126 -0.359 . . . . 0.0 110.649 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.25 176.66 35.48 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 172.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.03 146.23 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 75.8 m -120.18 75.28 1.09 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 169.559 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.62 -118.41 4.74 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.64 -174.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -95.17 8.29 43.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.323 0.649 . . . . 0.0 111.045 173.437 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.99 160.16 14.46 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.147 0.979 . . . . 0.0 110.334 170.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -142.92 115.0 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.34 1.056 . . . . 0.0 109.421 -168.065 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.15 120.72 32.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.267 1.427 . . . . 0.0 109.635 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.4 130.01 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.215 1.006 . . . . 0.0 110.258 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.44 141.56 15.63 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -126.59 132.15 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.756 0.823 . . . . 0.0 109.201 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.85 74.9 1.6 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.327 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.8 48.93 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.22 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -57.0 153.49 37.96 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 121.744 1.629 . . . . 0.0 110.882 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -68.19 -0.81 5.04 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.271 0.628 . . . . 0.0 112.14 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.86 -27.31 68.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.929 1.691 . . . . 0.0 112.428 170.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.32 144.11 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.315 1.046 . . . . 0.0 110.567 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.92 141.55 30.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.589 0.709 . . . . 0.0 112.055 170.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -145.81 101.77 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.294 -166.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.98 166.86 26.43 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.605 0.762 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 13.8 ptt180 -70.52 159.92 33.41 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.555 0.742 . . . . 0.0 112.015 169.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -53.39 -45.22 69.21 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 123.667 0.787 . . . . 0.0 112.433 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -69.15 -3.33 13.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mm -107.29 -49.07 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.417 1.087 . . . . 0.0 110.434 170.035 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -46.04 -43.6 14.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.609 1.164 . . . . 0.0 111.037 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.14 -15.46 59.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.071 1.349 . . . . 0.0 113.967 -169.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -91.15 -31.65 16.13 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.877 0.762 . . . . 0.0 111.755 175.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.78 -62.09 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.467 1.107 . . . . 0.0 112.911 -166.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.81 0.48 2.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.774 -0.579 . . . . 0.0 112.543 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -71.72 -18.83 62.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.384 0.674 . . . . 0.0 111.855 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.39 31.9 0.09 OUTLIER Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.132 -0.815 . . . . 0.0 114.931 168.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -168.45 -173.02 1.84 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.494 1.147 . . . . 0.0 112.705 -167.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p -134.67 -168.41 2.15 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.923 1.289 . . . . 0.0 109.965 169.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.27 120.91 1.98 Allowed Pre-proline 0 N--CA 1.454 -0.269 0 C-N-CA 124.234 1.014 . . . . 0.0 111.082 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -62.96 161.53 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 121.786 1.657 . . . . 0.0 114.498 -168.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 125.788 1.635 . . . . 0.0 113.352 -175.571 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.794 -0.622 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.76 109.88 20.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.157 0.983 . . . . 0.0 108.394 169.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.49 136.2 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.733 0.813 . . . . 0.0 109.797 176.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.72 134.95 47.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.161 0.984 . . . . 0.0 109.912 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.3 p -85.9 144.13 27.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' ARG . . . . . 0.441 ' HD3' HG13 ' C' ' 12' ' ' ILE . 24.8 ttp180 -145.68 140.17 27.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.544 0.338 . . . . 0.0 110.381 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -109.52 148.88 30.46 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -53.09 135.54 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.52 -8.2 77.16 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.563 1.554 . . . . 0.0 114.351 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -85.52 -177.77 6.51 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.304 1.552 . . . . 0.0 112.457 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -148.39 160.49 42.97 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -167.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' ILE . . . . . 0.441 HG13 ' HD3' ' C' ' 6' ' ' ARG . 57.7 mt -138.4 156.18 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 127.413 2.285 . . . . 0.0 108.922 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -126.52 146.66 50.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.047 1.339 . . . . 0.0 111.215 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -133.17 133.81 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.288 1.035 . . . . 0.0 108.908 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -135.02 50.3 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -169.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.65 10.06 6.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.886 0.874 . . . . 0.0 112.255 169.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -117.6 -14.87 10.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.022 0.929 . . . . 0.0 113.179 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.44 135.29 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.904 0.774 . . . . 0.0 110.698 -172.777 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -132.71 146.3 51.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.227 1.411 . . . . 0.0 108.776 174.215 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.14 140.59 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.356 0.663 . . . . 0.0 109.474 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -124.91 135.65 53.05 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.145 0.978 . . . . 0.0 110.638 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.86 109.16 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 168.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -85.46 -35.45 21.22 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.868 -0.52 . . . . 0.0 109.733 -172.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.32 -173.12 44.78 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.979 -0.153 . . . . 0.0 112.906 168.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.85 158.39 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.061 0.544 . . . . 0.0 110.765 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -138.79 67.8 1.39 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.053 1.341 . . . . 0.0 108.529 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.03 -110.36 3.02 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.2 -9.64 32.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.191 0.996 . . . . 0.0 112.103 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.3 158.08 34.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.868 0.842 . . . . 0.0 111.882 169.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.97 114.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -79.4 112.38 16.58 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 mt -115.83 133.38 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.917 1.287 . . . . 0.0 109.255 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 126.64 7.97 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 123.611 0.624 . . . . 0.0 111.759 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -107.87 123.82 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.36 1.064 . . . . 0.0 108.73 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -115.37 97.15 6.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.982 0.913 . . . . 0.0 109.972 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.8 154.79 80.66 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.009 0.924 . . . . 0.0 110.029 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.31 155.13 48.08 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.882 2.388 . . . . 0.0 111.298 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LYS . . . . . 0.402 ' HE3' ' CA ' ' C' ' 38' ' ' LYS . 0.0 OUTLIER -70.59 -0.94 9.62 Favored 'General case' 0 CA--C 1.527 0.063 0 O-C-N 121.986 -0.446 . . . . 0.0 111.553 175.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.86 -23.72 66.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.867 1.267 . . . . 0.0 111.689 171.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.56 147.46 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.913 0.885 . . . . 0.0 110.559 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.96 153.9 21.86 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.607 0.363 . . . . 0.0 111.281 175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -135.48 138.75 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.996 0.518 . . . . 0.0 109.793 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -155.49 156.37 35.11 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.758 0.823 . . . . 0.0 110.594 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -67.02 156.0 37.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 166.349 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.68 -29.99 71.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.94 0.791 . . . . 0.0 111.285 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.79 -24.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.518 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.25 -36.68 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.544 0.738 . . . . 0.0 110.617 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -53.88 -35.45 61.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.555 1.142 . . . . 0.0 112.073 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.14 -24.41 67.15 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.322 0.649 . . . . 0.0 112.612 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -71.3 -39.77 71.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.251 0.62 . . . . 0.0 111.793 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.357 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 1' ' ' MET . . . . . 0.521 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.5 tpp . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -109.97 107.08 16.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.102 0.961 . . . . 0.0 109.769 174.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 3' ' ' ILE . . . . . 0.521 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -98.21 142.36 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.922 1.289 . . . . 0.0 110.161 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.81 164.94 28.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.312 1.445 . . . . 0.0 111.612 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -117.78 116.84 27.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.494 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.9 OUTLIER -119.38 142.56 48.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 169.16 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -92.7 163.99 13.55 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.919 0.137 . . . . 0.0 110.934 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 8' ' ' VAL . . . . . 0.544 HG11 HG12 ' D' ' 25' ' ' VAL . 27.6 m -49.67 139.18 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.44 -3.03 85.3 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.208 0.909 . . . . 0.0 114.125 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -91.77 173.41 7.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.676 1.238 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -139.08 164.49 29.64 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.748 0.819 . . . . 0.0 112.768 -173.114 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 12' ' ' ILE . . . . . 0.494 HD11 ' HG3' ' D' ' 6' ' ' ARG . 5.9 mt -153.24 163.2 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.554 2.341 . . . . 0.0 108.215 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -141.09 150.3 42.72 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.516 1.126 . . . . 0.0 112.237 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -136.81 136.83 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.07 1.348 . . . . 0.0 108.958 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.85 -135.79 51.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -123.46 3.79 9.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.81 0.844 . . . . 0.0 112.243 174.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.06 -4.95 3.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.77 136.33 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.762 0.71 . . . . 0.0 110.639 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -131.27 145.99 52.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.77 1.228 . . . . 0.0 109.719 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -128.46 144.79 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 125.021 1.328 . . . . 0.0 108.438 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -137.13 130.97 31.97 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.861 0.864 . . . . 0.0 109.166 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -86.56 108.87 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.7 mt -81.95 -31.55 31.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.283 0.633 . . . . 0.0 110.774 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.79 -178.86 44.62 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 121.03 0.239 . . . . 0.0 113.116 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 25' ' ' VAL . . . . . 0.544 HG12 HG11 ' D' ' 8' ' ' VAL . 7.3 p -125.31 137.15 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.536 1.135 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -138.31 75.73 1.54 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.014 1.326 . . . . 0.0 109.991 -169.334 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.95 -119.83 5.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.83 -16.47 53.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.373 1.069 . . . . 0.0 110.489 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.9 158.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 122.298 1.047 . . . . 0.0 112.561 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -137.65 120.96 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.207 1.803 . . . . 0.0 106.878 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -94.95 113.04 24.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.857 0.863 . . . . 0.0 108.787 -176.078 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.63 126.43 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.539 0.736 . . . . 0.0 110.711 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.12 140.6 15.15 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.039 0.828 . . . . 0.0 111.16 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -129.28 142.21 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.927 0.891 . . . . 0.0 108.703 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -138.06 105.93 5.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.295 0.638 . . . . 0.0 109.296 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.06 155.23 74.56 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 124.187 0.995 . . . . 0.0 109.344 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -60.64 151.51 75.47 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.133 1.888 . . . . 0.0 110.514 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.42 -0.92 2.11 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 169.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.86 -19.94 66.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.971 1.308 . . . . 0.0 111.3 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -131.12 157.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.582 1.153 . . . . 0.0 110.508 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.38 156.99 16.46 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.964 0.506 . . . . 0.0 111.942 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.41 128.88 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 122.876 0.47 . . . . 0.0 110.499 169.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -153.47 167.26 30.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.445 0.698 . . . . 0.0 112.087 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -66.37 161.28 22.88 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.896 0.479 . . . . 0.0 109.967 168.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.63 -39.04 92.56 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.784 -0.573 . . . . 0.0 112.183 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -54.09 -45.57 71.84 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.556 0.743 . . . . 0.0 111.266 171.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -79.92 -40.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 124.276 1.03 . . . . 0.0 110.86 -169.389 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -49.24 -36.19 19.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.023 1.329 . . . . 0.0 111.988 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -63.86 -22.24 66.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.268 1.027 . . . . 0.0 113.015 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -83.3 -31.94 26.6 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.709 1.14 . . . . 0.0 110.752 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.703 ' N ' HD12 ' D' ' 51' ' ' ILE . 2.8 mp . . . . . 0 N--CA 1.455 -0.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.273 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 tt -127.49 122.87 34.57 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.053 0.941 . . . . 0.0 109.54 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mm -106.68 138.36 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.304 1.042 . . . . 0.0 109.841 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt -137.46 165.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.91 1.284 . . . . 0.0 111.567 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.1 105.99 7.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 166.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.38 126.72 55.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.562 1.545 . . . . 0.0 109.722 -171.375 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -91.47 165.77 13.2 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 119.741 1.155 . . . . 0.0 112.387 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.95 138.99 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -3.21 87.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.889 0.757 . . . . 0.0 114.097 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -92.39 172.65 8.25 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.6 1.2 . . . . 0.0 111.334 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.3 m -139.94 165.67 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -169.427 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -149.99 156.94 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.369 2.268 . . . . 0.0 107.964 -169.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -137.9 152.33 48.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.465 -0.772 . . . . 0.0 113.076 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.23 142.26 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.775 1.23 . . . . 0.0 108.878 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.36 -137.83 49.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 -176.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -125.58 10.01 7.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.75 0.82 . . . . 0.0 111.657 172.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.57 -4.97 2.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.53 137.12 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 118.981 0.81 . . . . 0.0 110.848 -173.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -129.11 144.38 51.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.678 1.191 . . . . 0.0 109.945 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -127.91 138.54 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.122 1.369 . . . . 0.0 108.327 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m -134.15 130.55 37.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.185 0.594 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.32 103.26 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.456 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.35 -30.01 64.32 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.024 -0.423 . . . . 0.0 111.22 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -172.6 34.89 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.181 0.419 . . . . 0.0 113.639 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.83 156.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.801 0.84 . . . . 0.0 112.0 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -143.27 89.92 2.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.126 1.37 . . . . 0.0 108.88 169.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.43 -111.95 4.59 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.587 -0.695 . . . . 0.0 111.531 -173.382 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -91.28 -21.06 21.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.611 0.705 . . . . 0.0 111.806 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.35 146.94 48.49 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -136.76 117.39 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -87.63 126.59 35.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.64 133.36 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.379 0.672 . . . . 0.0 110.549 -168.103 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.57 139.26 14.35 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.436 1.017 . . . . 0.0 111.111 171.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.1 mt -133.23 127.85 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.853 1.261 . . . . 0.0 108.736 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -131.23 98.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.96 154.16 81.94 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.895 1.278 . . . . 0.0 109.515 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -57.05 151.59 49.3 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 121.943 1.762 . . . . 0.0 111.528 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -66.98 -5.26 12.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.078 0.951 . . . . 0.0 111.922 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.81 -28.25 68.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.573 1.949 . . . . 0.0 112.769 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -113.57 163.58 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.894 0.878 . . . . 0.0 110.627 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.36 153.91 17.45 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.99 126.47 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.305 0.642 . . . . 0.0 110.486 169.691 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -151.77 169.19 22.83 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.494 1.118 . . . . 0.0 109.684 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -80.03 165.66 22.33 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.604 -0.685 . . . . 0.0 110.342 169.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.46 -28.39 68.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.927 0.491 . . . . 0.0 112.153 -170.728 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.2 -44.32 95.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.241 1.016 . . . . 0.0 112.355 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -88.12 -28.38 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.66 0.784 . . . . 0.0 110.02 -170.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -53.43 -35.61 60.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.888 0.875 . . . . 0.0 112.154 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.66 -21.8 63.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.81 -26.13 65.02 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.797 0.726 . . . . 0.0 110.599 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -90.6 -39.68 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.48 1.112 . . . . 0.0 109.925 -173.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 177.848 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.08 146.89 25.09 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.149 0.58 . . . . 0.0 110.953 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.8 135.67 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.467 0.707 . . . . 0.0 109.25 171.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.48 164.84 23.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.979 1.312 . . . . 0.0 110.619 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 101.88 5.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 168.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 6' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' F' ' 12' ' ' ILE . 0.8 OUTLIER -115.04 140.92 48.66 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.409 1.084 . . . . 0.0 111.033 -177.486 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -92.55 172.84 8.11 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -60.66 139.49 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.315 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.93 -2.14 87.78 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 123.97 0.795 . . . . 0.0 113.868 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -88.29 173.19 8.91 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.585 1.193 . . . . 0.0 112.112 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -137.41 153.99 50.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.782 0.833 . . . . 0.0 112.144 -173.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 12' ' ' ILE . . . . . 0.42 HD11 ' HG3' ' F' ' 6' ' ' ARG . 26.3 mt -140.87 151.18 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 125.687 1.595 . . . . 0.0 108.609 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -125.86 147.1 49.55 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.781 0.832 . . . . 0.0 111.576 -173.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -134.75 137.46 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.414 1.086 . . . . 0.0 109.187 173.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.57 -135.0 52.14 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -173.337 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -128.71 10.07 6.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.063 0.945 . . . . 0.0 112.34 171.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.12 -15.78 4.66 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.78 133.73 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.07 0.85 . . . . 0.0 110.525 -172.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -128.76 142.63 50.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.017 0.927 . . . . 0.0 110.5 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.1 mm -121.46 140.34 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.32 1.448 . . . . 0.0 108.615 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.61 131.83 40.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.591 0.756 . . . . 0.0 109.844 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -89.95 114.77 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.07 -27.75 24.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.032 0.533 . . . . 0.0 111.111 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 -171.95 34.42 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 113.898 0.319 . . . . 0.0 113.898 170.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -124.52 159.65 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.623 0.769 . . . . 0.0 112.221 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.51 90.06 1.69 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.916 1.286 . . . . 0.0 109.074 169.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.27 -111.72 3.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -174.299 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -91.14 -21.82 20.99 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.454 0.627 . . . . 0.0 111.722 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -73.36 142.36 47.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.164 0.586 . . . . 0.0 110.099 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.33 114.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -85.71 126.16 33.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.31 143.42 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.066 0.947 . . . . 0.0 110.183 -168.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.41 140.6 15.88 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 124.149 0.881 . . . . 0.0 111.527 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.48 135.7 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.603 1.161 . . . . 0.0 109.351 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -132.91 106.35 7.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.642 0.777 . . . . 0.0 109.744 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 158.68 75.07 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 123.993 0.917 . . . . 0.0 111.364 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -64.4 162.03 32.24 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.04 2.493 . . . . 0.0 112.329 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.74 -4.54 12.64 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 169.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -65.8 -23.01 66.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.356 1.463 . . . . 0.0 112.328 173.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -127.68 163.62 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.226 1.01 . . . . 0.0 111.305 -174.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.58 163.42 13.39 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.311 0.644 . . . . 0.0 111.262 169.721 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.08 130.11 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.45 0.7 . . . . 0.0 110.216 171.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -153.13 170.77 19.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.15 0.98 . . . . 0.0 110.083 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -76.14 158.56 31.61 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 167.48 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.94 -22.48 67.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.843 -0.536 . . . . 0.0 112.213 -169.545 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -55.82 -41.57 74.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.799 0.839 . . . . 0.0 111.853 171.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.95 -34.03 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.811 0.845 . . . . 0.0 110.233 -171.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.97 -35.86 47.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.022 0.929 . . . . 0.0 112.56 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -59.34 -21.91 60.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.136 0.975 . . . . 0.0 112.877 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.77 -39.96 66.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.586 0.63 . . . . 0.0 109.787 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 51' ' ' ILE . . . . . 0.491 ' N ' HD12 ' F' ' 51' ' ' ILE . 1.6 mp . . . . . 0 N--CA 1.453 -0.295 0 C-N-CA 124.32 1.048 . . . . 0.0 110.207 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.167 -0.444 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.74 116.09 31.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.722 0.809 . . . . 0.0 109.587 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.43 133.91 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.838 0.855 . . . . 0.0 109.779 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -135.07 155.56 50.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.738 1.215 . . . . 0.0 110.427 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 m -128.03 114.98 17.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.337 1.055 . . . . 0.0 110.366 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -138.41 149.12 45.2 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-N 119.116 0.871 . . . . 0.0 111.667 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.09 161.05 15.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.768 0.427 . . . . 0.0 111.363 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' HA2' ' A' ' 24' ' ' GLY . 68.3 t -40.11 128.5 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.241 1.016 . . . . 0.0 111.276 170.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.5 -9.25 71.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.348 0.975 . . . . 0.0 114.136 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -89.86 173.93 7.97 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.576 1.188 . . . . 0.0 111.858 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 156.0 41.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -170.014 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.2 mm -121.43 155.59 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 126.643 1.977 . . . . 0.0 109.7 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -125.45 140.35 52.86 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.488 1.115 . . . . 0.0 110.845 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -134.0 132.77 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.89 -128.64 26.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -128.14 -1.37 5.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.917 0.887 . . . . 0.0 112.281 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.21 -17.51 1.82 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.8 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.5 mt -106.1 137.51 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.415 0.686 . . . . 0.0 110.363 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -136.16 145.22 45.54 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.579 0.752 . . . . 0.0 109.566 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.4 mm -127.29 139.3 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.483 1.113 . . . . 0.0 108.509 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -134.61 133.43 40.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.247 0.619 . . . . 0.0 110.052 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -84.55 95.91 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -25.09 62.61 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.774 -0.579 . . . . 0.0 110.43 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.476 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.65 -167.95 40.92 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 118.145 0.429 . . . . 0.0 113.847 169.154 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -130.51 164.88 32.27 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 124.147 0.979 . . . . 0.0 111.505 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -147.36 74.41 1.33 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.225 1.01 . . . . 0.0 110.02 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.48 -126.1 12.47 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -84.68 9.07 14.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.319 0.559 . . . . 0.0 112.099 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -100.84 157.58 16.62 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.817 0.817 . . . . 0.0 111.279 167.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -137.8 126.78 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 125.76 1.624 . . . . 0.0 108.396 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -103.21 101.87 11.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.692 0.797 . . . . 0.0 110.231 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -108.42 129.07 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.932 1.293 . . . . 0.0 109.267 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.15 141.31 15.3 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 123.955 0.788 . . . . 0.0 111.346 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG21 HG11 ' A' ' 42' ' ' VAL . 62.6 mt -117.11 132.23 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 125.128 1.371 . . . . 0.0 108.317 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -122.04 74.94 1.18 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.527 1.131 . . . . 0.0 109.409 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.84 153.71 42.93 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.049 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -72.73 155.76 53.75 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.649 2.233 . . . . 0.0 110.339 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -69.36 -1.09 7.4 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.91 -31.07 71.79 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.813 0.845 . . . . 0.0 111.247 168.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.72 144.03 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 123.824 0.85 . . . . 0.0 111.561 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.02 143.04 31.84 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.837 0.855 . . . . 0.0 110.97 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 34' ' ' ILE . 29.2 m -134.31 123.79 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.227 0.611 . . . . 0.0 110.268 171.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -153.42 158.91 42.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.775 0.43 . . . . 0.0 111.761 -171.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -74.62 164.62 26.37 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.991 0.516 . . . . 0.0 110.373 167.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.79 -32.21 63.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.761 -0.587 . . . . 0.0 112.213 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -72.85 -1.34 16.37 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.355 -0.841 . . . . 0.0 113.09 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -121.83 -28.9 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.14 0.976 . . . . 0.0 111.069 175.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.26 -32.42 71.14 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.5 1.045 . . . . 0.0 110.667 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -76.77 -18.3 58.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.528 0.731 . . . . 0.0 112.094 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -78.84 -35.91 43.29 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.574 0.75 . . . . 0.0 110.99 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.28 -49.76 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 109.358 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 . . . . . 0 N--CA 1.452 -0.369 0 C-N-CA 123.752 0.821 . . . . 0.0 112.955 -176.575 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.9 tpp . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 119.629 -0.224 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.18 120.88 41.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 168.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 56.3 mt -118.68 140.88 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.591 . . . . 0.0 111.987 -165.481 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.14 145.11 47.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.044 1.337 . . . . 0.0 110.748 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -121.08 100.97 7.37 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' ARG . . . . . 0.452 ' HD3' HD11 ' B' ' 12' ' ' ILE . 23.9 mtp85 -125.57 162.7 24.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.014 0.926 . . . . 0.0 110.748 -170.749 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -94.08 168.59 10.85 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -61.12 136.73 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.27 0.557 . . . . 0.0 111.164 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.54 -2.01 79.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 119.192 -0.782 . . . . 0.0 114.174 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.36 154.78 22.67 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.752 1.276 . . . . 0.0 111.8 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -124.54 153.31 42.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.573 0.749 . . . . 0.0 111.841 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' B' ' 6' ' ' ARG . 38.0 mm -136.53 155.54 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 127.687 2.395 . . . . 0.0 107.687 -169.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -132.92 146.14 51.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.022 0.929 . . . . 0.0 111.167 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.94 154.23 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.463 1.105 . . . . 0.0 108.613 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.33 48.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 172.037 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.42 5.14 8.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.781 1.233 . . . . 0.0 109.809 166.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -125.91 3.05 7.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.184 1.794 . . . . 0.0 112.666 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.44 140.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -165.416 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 62.8 m -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.903 1.281 . . . . 0.0 108.016 167.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt -135.93 138.35 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.835 0.854 . . . . 0.0 109.006 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -129.55 131.36 46.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.898 0.479 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -76.47 101.38 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.69 -32.15 69.28 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.037 -0.415 . . . . 0.0 110.657 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.18 -178.24 37.2 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 116.829 -0.169 . . . . 0.0 112.832 172.231 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.67 154.13 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.263 0.554 . . . . 0.0 110.667 176.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -127.91 77.67 1.77 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.034 1.334 . . . . 0.0 108.405 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.96 -116.4 4.58 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.19 10.03 39.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.219 -0.577 . . . . 0.0 111.584 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -99.01 152.3 19.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.697 1.199 . . . . 0.0 109.398 170.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.02 119.29 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.006 0.523 . . . . 0.0 110.108 -167.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.49 119.21 30.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.649 1.58 . . . . 0.0 109.683 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.05 132.76 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.151 0.981 . . . . 0.0 109.683 -170.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.95 129.03 9.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 35.3 mt -117.08 128.74 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.199 1.0 . . . . 0.0 108.898 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -133.03 74.85 1.59 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.797 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.63 158.57 33.65 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 126.293 1.837 . . . . 0.0 107.243 168.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.23 155.96 37.52 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 121.413 1.408 . . . . 0.0 109.429 168.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -0.84 6.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.868 0.867 . . . . 0.0 111.243 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.83 -23.57 66.71 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.448 1.899 . . . . 0.0 111.579 172.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.73 144.08 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.851 1.26 . . . . 0.0 110.116 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.32 141.95 31.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.404 0.621 . . . . 0.0 111.912 171.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 t -144.99 99.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.407 1.083 . . . . 0.0 109.108 -166.784 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.68 163.04 36.14 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 123.917 0.887 . . . . 0.0 111.314 178.276 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 30.5 ptt-85 -65.65 154.72 38.04 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.467 0.307 . . . . 0.0 111.001 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -55.08 -35.41 64.53 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 123.373 0.669 . . . . 0.0 112.339 -176.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.56 -52.44 38.91 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.529 0.604 . . . . 0.0 111.14 173.882 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mm -70.23 -44.6 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.477 1.111 . . . . 0.0 110.734 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -50.91 -38.72 51.68 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.984 0.914 . . . . 0.0 112.043 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.5 -25.94 66.11 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.3 mpt_? -77.88 -41.77 35.59 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 119.031 0.832 . . . . 0.0 110.089 172.657 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' B' ' 55' ' ' LEU . 99.1 mt -63.39 -39.56 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.169 0.587 . . . . 0.0 109.472 -175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -80.34 3.38 21.31 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.34 -17.41 52.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.274 0.63 . . . . 0.0 111.685 169.214 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.53 48.18 0.1 Allowed Glycine 0 C--N 1.339 0.73 0 CA-C-O 119.529 -0.595 . . . . 0.0 114.118 169.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 55' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -169.04 -177.27 2.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.82 0.81 . . . . 0.0 112.717 -168.307 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 45.3 p -127.6 -174.95 3.32 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.471 1.509 . . . . 0.0 109.332 168.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.36 122.52 4.29 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 123.733 0.813 . . . . 0.0 111.356 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -63.32 168.47 11.08 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.357 2.038 . . . . 0.0 114.689 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 125.219 1.408 . . . . 0.0 113.108 179.444 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.422 -0.323 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 111.29 18.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.655 1.182 . . . . 0.0 108.548 169.73 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.21 134.63 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.454 1.102 . . . . 0.0 109.669 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.3 142.39 50.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.485 1.114 . . . . 0.0 110.432 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.0 p -99.71 140.07 34.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.28 0.632 . . . . 0.0 110.73 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -138.02 140.32 40.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.314 0.646 . . . . 0.0 110.915 173.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -76.2 155.66 34.31 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 168.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.62 132.77 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 O-C-N 121.516 -0.74 . . . . 0.0 111.243 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.55 -2.76 83.13 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.42 1.009 . . . . 0.0 113.988 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -87.81 174.32 8.43 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.12 1.46 . . . . 0.0 111.85 174.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -136.5 157.35 46.99 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -167.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.26 157.13 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 127.582 2.353 . . . . 0.0 108.464 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -132.68 146.55 51.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.081 0.953 . . . . 0.0 111.753 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -135.72 135.03 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.717 1.207 . . . . 0.0 109.614 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -133.61 52.66 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -130.03 9.44 5.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.767 0.827 . . . . 0.0 112.06 168.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -122.64 -12.5 8.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.164 0.985 . . . . 0.0 113.238 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.37 132.07 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 118.821 0.737 . . . . 0.0 110.536 -172.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -129.78 142.43 50.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.019 0.928 . . . . 0.0 109.509 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -120.96 136.9 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.597 1.159 . . . . 0.0 108.611 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -128.44 121.25 28.55 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.84 114.44 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 170.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.29 -43.34 11.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.886 -0.509 . . . . 0.0 110.502 -169.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.85 178.45 48.57 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.676 -0.297 . . . . 0.0 113.397 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.52 154.42 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-O 121.311 0.577 . . . . 0.0 110.701 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.7 m -152.98 109.13 3.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.41 -141.93 28.43 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.697 -169.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.43 5.43 31.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.186 0.994 . . . . 0.0 110.842 168.206 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.89 143.24 26.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.066 1.746 . . . . 0.0 110.402 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.1 t -129.49 118.45 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -77.11 112.45 13.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.1 mt -118.86 129.37 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.925 1.29 . . . . 0.0 109.515 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.82 141.77 15.63 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 125.341 1.448 . . . . 0.0 112.301 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -128.38 119.5 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.918 1.287 . . . . 0.0 108.482 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -118.31 101.13 7.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.211 0.605 . . . . 0.0 109.848 -174.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.57 156.58 52.81 Favored Pre-proline 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 110.106 -175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.48 153.97 74.28 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.948 2.432 . . . . 0.0 111.588 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -66.5 -1.04 3.15 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 171.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.88 -23.11 66.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.225 1.01 . . . . 0.0 111.3 169.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.74 146.9 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.156 0.982 . . . . 0.0 110.588 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.94 153.28 22.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.811 0.444 . . . . 0.0 111.055 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 m -136.49 131.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.791 0.437 . . . . 0.0 110.12 169.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -155.42 164.52 38.6 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.497 0.719 . . . . 0.0 111.453 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -79.58 162.16 25.5 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -60.92 -33.1 72.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.206 0.603 . . . . 0.0 111.965 -171.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.29 -44.15 79.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.967 0.907 . . . . 0.0 111.829 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 36.5 mm -91.6 -30.53 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 123.47 0.708 . . . . 0.0 110.822 -171.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -51.26 -34.85 34.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.827 0.851 . . . . 0.0 112.242 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.37 -29.2 70.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.604 0.761 . . . . 0.0 112.601 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -69.63 -34.81 74.59 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.164 0.585 . . . . 0.0 111.607 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 51' ' ' ILE . . . . . 0.407 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.6 mp . . . . . 0 N--CA 1.454 -0.247 0 O-C-N 121.978 -0.451 . . . . 0.0 109.794 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.52 111.76 17.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.936 0.894 . . . . 0.0 109.147 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.97 133.29 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.488 1.115 . . . . 0.0 108.871 -170.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.15 160.51 34.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.818 1.247 . . . . 0.0 111.096 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -104.94 110.22 22.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 165.151 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.2 OUTLIER -103.97 131.1 51.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.411 0.284 . . . . 0.0 110.758 174.593 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -79.59 153.44 29.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.103 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.0 m -56.02 134.84 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.2 -3.2 79.81 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.266 0.936 . . . . 0.0 114.329 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -96.44 174.08 7.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.046 1.423 . . . . 0.0 112.063 177.391 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -133.53 159.02 41.66 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.584 0.753 . . . . 0.0 112.804 -171.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.59 157.75 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 127.157 2.183 . . . . 0.0 108.725 -175.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -132.46 144.8 50.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.381 1.072 . . . . 0.0 111.043 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -133.8 132.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.74 1.216 . . . . 0.0 109.07 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -132.99 52.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -172.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -129.97 8.56 5.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.194 0.598 . . . . 0.0 112.354 170.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -125.96 -9.6 6.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.634 0.774 . . . . 0.0 112.896 -176.275 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.57 136.18 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.356 0.662 . . . . 0.0 110.395 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -129.83 146.44 51.56 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.527 1.131 . . . . 0.0 109.662 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.36 143.2 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.585 1.554 . . . . 0.0 107.971 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 79.7 m -138.25 127.27 24.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.134 0.574 . . . . 0.0 109.469 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.1 106.21 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -79.51 -30.66 42.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 110.91 -169.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -174.58 41.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.71 -0.156 . . . . 0.0 112.71 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.33 158.31 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 122.965 0.506 . . . . 0.0 110.745 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -141.33 79.93 1.71 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.688 1.195 . . . . 0.0 108.524 169.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.72 -113.91 4.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.526 -0.629 . . . . 0.0 111.526 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -92.55 -10.25 38.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.317 1.047 . . . . 0.0 110.576 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.37 154.72 20.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.148 0.975 . . . . 0.0 112.184 170.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.86 124.45 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.64 1.576 . . . . 0.0 106.967 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -98.72 113.64 25.81 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.063 0.945 . . . . 0.0 108.661 -173.243 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -123.71 124.53 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.325 0.65 . . . . 0.0 110.396 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.04 141.59 15.68 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.397 0.998 . . . . 0.0 111.177 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -132.02 140.65 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.036 0.934 . . . . 0.0 108.699 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -138.05 102.85 4.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.218 0.607 . . . . 0.0 109.624 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.53 154.7 79.83 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.276 1.031 . . . . 0.0 109.613 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.11 149.85 82.44 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.254 1.97 . . . . 0.0 110.65 170.105 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -68.08 -1.64 6.31 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.97 -22.39 66.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.728 1.211 . . . . 0.0 111.458 168.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.81 157.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.236 1.014 . . . . 0.0 110.6 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.53 157.06 16.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.319 0.648 . . . . 0.0 111.962 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.6 131.93 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 O-C-N 121.748 -0.595 . . . . 0.0 110.571 169.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -153.98 169.73 22.78 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.4 0.68 . . . . 0.0 112.288 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 mpp_? -65.5 156.22 33.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 165.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -62.25 -36.32 81.67 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 121.095 -1.003 . . . . 0.0 111.523 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.8 -22.44 66.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.979 0.912 . . . . 0.0 112.974 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -94.36 -41.3 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.261 1.024 . . . . 0.0 111.166 178.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.86 -35.96 11.22 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.853 1.261 . . . . 0.0 112.516 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -61.61 -25.52 67.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.609 1.164 . . . . 0.0 113.277 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -44.83 63.52 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 119.703 1.138 . . . . 0.0 110.149 -177.385 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 51' ' ' ILE . . . . . 0.654 ' N ' HD12 ' D' ' 51' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.455 -0.201 0 C-N-CA 127.073 2.149 . . . . 0.0 109.951 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ttt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt -124.0 110.28 14.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.13 0.972 . . . . 0.0 109.418 -176.2 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -100.49 135.94 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.853 0.861 . . . . 0.0 109.397 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.43 163.18 28.5 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.122 1.369 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -132.75 100.94 5.09 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 6' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' E' ' 10' ' ' GLU . 12.1 ptm180 -105.01 162.15 13.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.536 1.934 . . . . 0.0 109.127 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -105.91 175.26 5.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.799 0.727 . . . . 0.0 112.507 168.176 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -55.54 138.99 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.979 0.419 . . . . 0.0 111.975 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.17 -5.78 84.52 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.968 -0.907 . . . . 0.0 115.116 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 10' ' ' GLU . . . . . 0.408 ' HB2' ' HE ' ' E' ' 6' ' ' ARG . 72.2 mm-40 -72.91 166.75 22.41 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.593 1.697 . . . . 0.0 111.882 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 41.0 m -131.36 149.12 52.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.909 . . . . 0.0 111.786 169.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -129.15 155.35 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.518 1.927 . . . . 0.0 108.054 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -130.43 149.85 51.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.641 -0.662 . . . . 0.0 112.479 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.92 139.28 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.48 1.112 . . . . 0.0 109.074 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -135.67 50.32 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -124.77 9.91 8.3 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.285 1.034 . . . . 0.0 111.372 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.13 -7.17 1.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -169.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.38 136.9 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 119.275 0.943 . . . . 0.0 111.091 -171.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -129.92 142.53 50.64 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.73 1.212 . . . . 0.0 110.577 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -129.58 117.56 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 124.786 1.234 . . . . 0.0 109.628 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -115.23 131.62 56.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.76 0.824 . . . . 0.0 110.271 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.66 113.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.242 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.06 -32.67 50.94 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.749 0.42 . . . . 0.0 110.457 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.39 -173.22 35.48 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.611 0.624 . . . . 0.0 113.029 168.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 m -119.03 159.7 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.417 0.687 . . . . 0.0 111.699 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -149.98 91.28 1.76 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.2 1.0 . . . . 0.0 109.709 169.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.4 -119.32 7.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -170.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -90.06 -14.77 33.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 117.436 0.618 . . . . 0.0 111.954 174.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 144.36 51.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.694 0.759 . . . . 0.0 110.021 175.628 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.16 110.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 126.562 1.945 . . . . 0.0 106.116 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -88.57 123.82 33.43 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.284 1.034 . . . . 0.0 108.779 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -129.4 138.51 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.172 0.589 . . . . 0.0 110.882 -167.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 139.13 14.88 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.704 1.145 . . . . 0.0 111.383 170.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 77.6 mt -131.29 129.89 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.64 1.176 . . . . 0.0 109.351 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.88 99.06 5.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -173.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.93 78.21 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.81 157.53 47.46 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.11 2.54 . . . . 0.0 112.086 171.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.83 -0.99 12.57 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 172.433 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.82 -22.88 66.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.434 1.093 . . . . 0.0 111.712 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -121.08 157.82 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.069 0.947 . . . . 0.0 110.552 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.73 157.32 16.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.973 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.97 126.54 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 122.979 0.511 . . . . 0.0 109.833 168.652 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -148.64 170.41 18.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.02 0.928 . . . . 0.0 109.859 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -71.19 156.4 39.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 168.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -61.82 -23.89 66.53 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.057 0.456 . . . . 0.0 111.069 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.49 -35.52 80.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.757 1.623 . . . . 0.0 111.994 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.69 -32.49 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.286 1.034 . . . . 0.0 109.683 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 48' ' ' TYR . . . . . 0.41 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 71.9 t80 -54.99 -34.91 63.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.43 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -68.68 -27.14 65.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.425 0.69 . . . . 0.0 112.824 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -68.5 -25.73 65.1 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.009 0.524 . . . . 0.0 109.814 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 51' ' ' ILE . . . . . 0.41 HG21 HD13 ' E' ' 51' ' ' ILE . 88.4 mt -99.02 -29.67 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 124.497 1.119 . . . . 0.0 110.581 -172.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 52' ' ' GLN . . . . . 0.41 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 74.7 mm-40 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.734 -0.098 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -95.86 147.97 23.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.969 0.508 . . . . 0.0 111.503 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.54 137.08 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.455 0.702 . . . . 0.0 109.792 171.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.49 161.21 36.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.882 1.273 . . . . 0.0 110.367 -174.686 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.85 99.37 4.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 168.566 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.98 162.06 13.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.59 1.156 . . . . 0.0 109.507 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -121.11 171.98 8.29 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 m -54.52 134.77 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.725 -170.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.21 -2.82 81.8 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.104 0.859 . . . . 0.0 114.326 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -98.9 169.34 9.52 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.702 1.251 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -135.77 160.84 37.3 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -169.241 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 15.7 mt -139.37 154.92 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 126.379 1.872 . . . . 0.0 108.592 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -130.69 148.72 52.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.771 0.828 . . . . 0.0 112.348 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -136.02 144.79 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.635 1.174 . . . . 0.0 108.928 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.88 -132.49 52.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -170.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -128.37 9.99 6.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.487 0.715 . . . . 0.0 111.727 169.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.36 -11.47 1.89 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 113.097 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -105.16 137.52 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.597 0.635 . . . . 0.0 110.272 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -131.59 141.66 49.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.125 0.97 . . . . 0.0 110.387 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -120.55 139.86 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.585 1.554 . . . . 0.0 108.087 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 50.7 m -137.42 124.38 21.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.15 0.58 . . . . 0.0 109.762 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -76.07 116.48 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 170.355 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 mt -85.19 -29.5 24.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.076 0.55 . . . . 0.0 110.908 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.58 -176.02 34.03 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.295 0.474 . . . . 0.0 113.51 170.757 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.96 157.78 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.03 0 CA-C-N 117.621 0.711 . . . . 0.0 112.586 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -150.07 104.86 3.32 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.534 1.133 . . . . 0.0 109.351 168.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.72 -114.25 5.24 Favored Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.587 -0.696 . . . . 0.0 111.776 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -95.4 -13.16 24.9 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.626 0.713 . . . . 0.0 111.53 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.25 141.3 45.38 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.327 0.584 . . . . 0.0 109.8 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.35 105.71 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 -174.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.94 123.26 31.87 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.359 0.664 . . . . 0.0 109.401 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.91 134.99 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.461 0.704 . . . . 0.0 110.443 -168.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.63 141.71 15.62 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.086 0.85 . . . . 0.0 111.619 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mt -127.08 139.77 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 0.0 109.079 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -134.16 114.67 13.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.613 0.765 . . . . 0.0 109.236 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.71 157.22 75.42 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 123.637 0.775 . . . . 0.0 111.54 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.04 162.04 37.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.09 2.527 . . . . 0.0 112.211 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.93 -4.03 25.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.398 0.679 . . . . 0.0 112.575 172.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.92 -19.65 63.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.687 1.195 . . . . 0.0 112.376 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -126.9 165.42 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.718 0.807 . . . . 0.0 111.214 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.37 161.83 13.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.548 0.739 . . . . 0.0 111.432 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.02 119.84 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.315 0.646 . . . . 0.0 110.528 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.62 173.14 15.01 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.335 1.054 . . . . 0.0 110.063 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -76.9 160.72 28.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.796 -0.565 . . . . 0.0 110.521 169.558 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.34 -26.23 66.42 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.504 0.722 . . . . 0.0 112.0 -171.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.66 -45.87 88.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.852 1.261 . . . . 0.0 111.78 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -85.26 -29.23 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.798 0.839 . . . . 0.0 110.21 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -54.83 -35.05 63.54 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.952 0.901 . . . . 0.0 112.737 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.06 -26.19 66.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.497 0.719 . . . . 0.0 112.425 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.82 -22.8 61.5 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.704 0.802 . . . . 0.0 110.714 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.449 -0.496 0 C-N-CA 123.971 0.908 . . . . 0.0 109.837 -170.229 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.021 -0.514 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.21 115.33 30.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.469 0.708 . . . . 0.0 109.602 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.14 136.07 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.134 0.974 . . . . 0.0 109.456 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -131.91 159.82 37.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.13 0.972 . . . . 0.0 109.89 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -121.61 100.96 7.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.8 132.63 54.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.216 0.606 . . . . 0.0 110.687 -168.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -96.54 156.16 16.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.987 -0.446 . . . . 0.0 110.389 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.475 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.4 t -46.51 127.94 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.53 0.732 . . . . 0.0 111.181 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.57 -4.11 69.09 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.212 0.91 . . . . 0.0 114.356 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -100.12 175.02 5.88 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.492 1.146 . . . . 0.0 111.448 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 m -139.86 150.55 44.77 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -168.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.3 mm -109.75 155.31 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 125.658 1.583 . . . . 0.0 109.502 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -128.1 137.55 52.17 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.318 1.047 . . . . 0.0 110.461 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -131.3 130.98 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.451 1.1 . . . . 0.0 109.372 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.73 -129.06 30.04 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -130.04 3.49 4.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.905 0.882 . . . . 0.0 112.4 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -133.4 -13.7 2.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -168.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.5 mt -110.57 139.37 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.812 0.845 . . . . 0.0 110.39 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -136.07 148.27 48.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.825 0.85 . . . . 0.0 109.155 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -128.56 138.69 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 108.575 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -129.7 129.69 44.54 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.317 0.647 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.66 97.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.91 -31.47 69.28 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -174.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.73 -173.94 44.56 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 123.131 0.396 . . . . 0.0 113.106 169.005 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 147.55 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.624 0.77 . . . . 0.0 111.099 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -138.48 64.79 1.48 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.637 1.175 . . . . 0.0 109.696 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.93 -117.82 7.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.87 -1.89 55.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.586 0.754 . . . . 0.0 112.48 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -117.67 160.03 21.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.936 0.874 . . . . 0.0 112.414 169.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.04 134.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.981 1.713 . . . . 0.0 109.506 -166.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -104.38 101.96 11.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.976 0.51 . . . . 0.0 110.188 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -111.85 133.75 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.576 1.15 . . . . 0.0 109.843 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.87 139.68 14.99 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.952 0.787 . . . . 0.0 111.57 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -109.47 132.95 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.115 1.366 . . . . 0.0 108.395 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -119.94 74.97 1.05 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.552 1.141 . . . . 0.0 109.388 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.5 153.57 44.87 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.742 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.13 154.94 47.27 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.747 2.298 . . . . 0.0 110.599 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -68.33 -4.24 13.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.27 -25.41 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.92 0.888 . . . . 0.0 112.136 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.96 143.98 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.805 0.812 . . . . 0.0 111.628 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 143.02 29.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.586 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.75 130.69 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 122.832 0.453 . . . . 0.0 110.172 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -150.83 158.07 43.7 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.891 0.476 . . . . 0.0 111.537 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -62.75 159.12 17.01 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.977 0.911 . . . . 0.0 109.232 168.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.13 -42.42 99.51 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.925 1.239 . . . . 0.0 111.991 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -72.99 -0.22 13.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.522 -0.736 . . . . 0.0 112.975 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.38 -10.29 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 124.423 1.089 . . . . 0.0 111.073 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -80.06 -42.28 24.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.427 -1.421 . . . . 0.0 110.453 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -73.11 -20.66 60.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.874 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -76.47 -33.11 58.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.09 0.556 . . . . 0.0 111.631 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.5 mt -66.17 -50.09 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.944 0.898 . . . . 0.0 109.677 171.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.6 mm100 -83.77 5.04 26.39 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.85 -23.05 67.1 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.327 0.251 . . . . 0.0 111.468 169.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.05 -6.91 2.07 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.091 0.853 . . . . 0.0 113.245 171.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.5 pp -89.83 90.71 8.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 122.621 1.2 . . . . 0.0 111.54 -169.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -153.32 -27.14 0.14 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.045 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.2 152.7 40.21 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 124.383 1.073 . . . . 0.0 111.634 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.27 160.02 50.73 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.974 2.45 . . . . 0.0 111.685 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.517 169.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.8 tpp . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.16 118.27 36.27 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 169.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -113.59 138.27 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -136.55 137.6 40.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.085 1.354 . . . . 0.0 110.241 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m -102.53 102.04 12.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -108.13 129.68 55.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.055 1.742 . . . . 0.0 110.64 -168.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -77.97 155.7 30.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.202 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -61.31 133.96 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.489 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.35 -4.47 73.64 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 119.273 -0.737 . . . . 0.0 114.443 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -90.3 170.93 9.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.611 1.206 . . . . 0.0 111.003 172.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.5 m -136.68 164.49 28.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.429 0.691 . . . . 0.0 112.406 -170.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mt -145.63 157.79 12.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 126.482 1.913 . . . . 0.0 108.826 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -135.67 146.65 48.02 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.966 0.906 . . . . 0.0 111.801 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.65 128.77 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.575 1.15 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.46 -134.35 51.72 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.74 5.06 6.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.79 0.836 . . . . 0.0 112.799 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -115.37 -20.0 10.48 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.05 135.07 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.163 0.892 . . . . 0.0 111.403 -169.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -129.3 148.02 51.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.792 1.237 . . . . 0.0 109.603 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -129.68 141.62 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 125.111 1.364 . . . . 0.0 108.509 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -133.87 130.23 37.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.091 0.556 . . . . 0.0 109.933 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -85.37 93.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.44 -33.38 75.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.839 -0.538 . . . . 0.0 110.974 -171.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.18 -178.0 40.95 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.66 150.33 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 169.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -124.86 79.37 1.77 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 -119.23 4.92 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.66 10.26 41.49 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.112 -0.64 . . . . 0.0 111.206 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -98.94 152.52 19.69 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.977 0.911 . . . . 0.0 109.919 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.53 111.86 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -84.05 116.37 22.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.497 1.119 . . . . 0.0 109.526 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.7 129.43 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.125 0.97 . . . . 0.0 109.526 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.42 133.01 11.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 171.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.57 128.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.806 0.812 . . . . 0.0 109.216 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -130.83 74.86 1.62 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.286 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.35 157.39 49.37 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.972 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -59.21 152.15 62.04 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.393 1.396 . . . . 0.0 109.61 168.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.421 ' HE2' " O2'" ' G' ' 28' ' ' ' G' . 12.2 mttt -67.56 -0.69 4.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.68 1.192 . . . . 0.0 112.827 172.267 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -28.17 68.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.026 1.73 . . . . 0.0 111.58 170.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -106.89 144.14 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.494 1.117 . . . . 0.0 110.174 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.8 141.25 30.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.388 0.613 . . . . 0.0 111.807 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 t -144.96 100.5 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.388 -166.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.434 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.6 OUTLIER -146.2 166.48 26.09 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.208 1.003 . . . . 0.0 110.959 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -69.22 158.4 35.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 122.117 -0.364 . . . . 0.0 110.348 168.371 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -54.19 -38.18 65.32 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.167 0.587 . . . . 0.0 112.34 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.52 -46.61 38.77 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.995 0.518 . . . . 0.0 111.208 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.65 -47.6 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 125.374 1.47 . . . . 0.0 110.029 -172.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -50.3 -36.47 31.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.122 0.969 . . . . 0.0 111.671 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.74 -23.39 63.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -82.94 -39.48 21.37 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.567 169.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.4 HG22 ' OE1' ' B' ' 52' ' ' GLN . 97.2 mt -63.06 -40.83 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' GLN . . . . . 0.4 ' OE1' HG22 ' B' ' 51' ' ' ILE . 7.8 mm100 -80.2 4.96 15.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 173.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.42 -19.13 50.73 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.025 0.53 . . . . 0.0 111.164 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.69 47.61 0.09 OUTLIER Glycine 0 C--N 1.338 0.653 0 C-N-CA 123.651 0.643 . . . . 0.0 114.102 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.74 -176.97 2.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.885 0.843 . . . . 0.0 112.805 -168.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.9 p -125.37 -177.64 3.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.468 1.507 . . . . 0.0 109.47 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -41.0 119.22 1.69 Allowed Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.084 0.954 . . . . 0.0 111.31 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 31.8 Cg_exo -68.26 177.19 4.74 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.196 1.931 . . . . 0.0 113.929 -169.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.454 -0.26 0 C-N-CA 124.546 1.138 . . . . 0.0 112.858 177.119 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.84 110.46 22.63 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.79 133.68 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.718 0.807 . . . . 0.0 109.657 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.8 140.78 50.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.59 1.156 . . . . 0.0 109.666 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p -100.25 143.96 29.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.83 0.348 . . . . 0.0 110.79 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -134.78 141.32 46.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.393 0.677 . . . . 0.0 110.563 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.502 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.8 tptm -77.29 155.77 31.83 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.75 132.72 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 119.139 0.881 . . . . 0.0 111.295 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.23 -4.25 84.36 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.61 1.1 . . . . 0.0 113.991 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -86.91 173.32 9.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.203 1.501 . . . . 0.0 111.803 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -136.49 159.3 42.19 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -167.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 61.5 mt -136.49 159.04 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 127.887 2.475 . . . . 0.0 107.834 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -132.45 150.3 52.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.836 0.854 . . . . 0.0 111.62 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -133.28 136.68 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.478 1.111 . . . . 0.0 109.138 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -140.81 47.17 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.54 0.59 . . . . 0.0 111.779 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.17 7.35 12.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.686 1.194 . . . . 0.0 111.054 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.51 -13.83 5.36 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -169.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.53 135.51 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.947 0.794 . . . . 0.0 110.901 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -122.67 142.68 50.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.647 1.179 . . . . 0.0 109.612 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -124.23 139.75 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.076 1.351 . . . . 0.0 108.273 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -132.13 130.29 40.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -85.44 112.82 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 168.869 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -83.56 -45.11 13.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 121.722 -0.611 . . . . 0.0 110.01 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.08 -177.91 48.6 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 121.6 -0.333 . . . . 0.0 112.951 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.21 151.45 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 123.205 0.602 . . . . 0.0 110.779 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -140.07 100.23 3.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.415 1.086 . . . . 0.0 108.105 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.97 -124.14 22.89 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -169.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.55 -0.8 51.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.324 1.05 . . . . 0.0 111.939 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -85.06 153.31 22.8 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.289 0.566 . . . . 0.0 110.815 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' C' ' 22' ' ' ILE . 40.5 t -130.32 122.18 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 125.211 1.404 . . . . 0.0 108.186 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -82.23 118.03 22.8 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.23 130.84 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 125.218 1.407 . . . . 0.0 108.885 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.75 137.04 13.17 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.22 0.914 . . . . 0.0 111.996 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -122.92 121.62 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.622 1.169 . . . . 0.0 108.823 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -118.49 98.66 6.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.266 0.627 . . . . 0.0 110.128 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.26 155.06 80.23 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.254 1.021 . . . . 0.0 110.02 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.42 151.39 83.11 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.664 2.242 . . . . 0.0 111.0 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.24 -0.94 2.84 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.344 0.657 . . . . 0.0 112.615 172.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.9 -23.24 66.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 169.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.02 148.67 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.307 1.043 . . . . 0.0 110.478 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.12 154.3 22.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.298 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.22 132.29 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -153.66 153.83 33.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.334 0.654 . . . . 0.0 110.746 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -74.25 159.03 33.02 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -61.32 -32.76 72.64 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -168.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.56 -21.58 62.68 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -95.12 -35.75 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.472 0.709 . . . . 0.0 110.696 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.7 -37.04 49.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.219 1.008 . . . . 0.0 112.182 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.94 -28.86 66.66 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.834 0.854 . . . . 0.0 112.723 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -69.36 -38.32 78.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.213 0.605 . . . . 0.0 111.707 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp -68.25 -20.4 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -92.04 -10.88 37.55 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.727 0.811 . . . . 0.0 112.571 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.04 -22.83 44.82 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.144 0.978 . . . . 0.0 112.036 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.06 137.9 9.53 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 123.913 0.768 . . . . 0.0 111.343 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.86 160.6 43.45 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.084 0.953 . . . . 0.0 111.476 -172.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -140.32 159.42 42.23 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.493 1.117 . . . . 0.0 110.906 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 48.74 76.98 0.49 Allowed Pre-proline 0 N--CA 1.455 -0.216 0 C-N-CA 125.553 1.541 . . . . 0.0 113.405 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -64.28 176.01 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.343 2.695 . . . . 0.0 113.915 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 124.27 1.028 . . . . 0.0 112.629 -179.762 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.543 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.1 tpp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -112.04 113.64 26.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.263 1.425 . . . . 0.0 107.962 168.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.543 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.0 mp -99.28 133.85 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.768 1.227 . . . . 0.0 109.462 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 mt -123.09 172.14 8.78 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.373 1.469 . . . . 0.0 109.807 172.533 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -134.81 109.92 8.85 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.996 169.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -123.26 149.77 44.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.857 0.863 . . . . 0.0 111.122 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -80.76 161.07 24.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.301 0.572 . . . . 0.0 111.693 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -54.88 138.84 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.561 0.744 . . . . 0.0 111.45 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.54 83.15 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.465 1.031 . . . . 0.0 113.918 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -90.61 174.9 7.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.905 1.353 . . . . 0.0 112.961 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.66 152.32 51.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.028 0.931 . . . . 0.0 112.276 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -142.12 161.43 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.17 1.788 . . . . 0.0 108.553 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -137.59 146.47 44.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 112.035 -171.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 136.26 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.9 1.28 . . . . 0.0 109.176 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.19 -136.63 50.36 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.97 9.94 6.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.958 0.903 . . . . 0.0 112.425 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -125.65 -14.2 6.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.01 135.28 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.991 0.814 . . . . 0.0 110.864 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 58.7 m -125.9 146.85 49.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.298 1.039 . . . . 0.0 110.019 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -124.87 143.47 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.776 1.63 . . . . 0.0 108.127 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -136.96 124.14 21.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.77 105.69 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.51 -32.13 47.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.027 0.531 . . . . 0.0 110.604 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.87 -173.76 41.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 122.152 -0.071 . . . . 0.0 113.174 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -112.75 163.86 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.255 0.622 . . . . 0.0 111.116 169.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -147.21 80.94 1.53 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.427 1.091 . . . . 0.0 108.146 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.18 -115.64 4.71 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -171.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.502 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.7 mp0 -92.48 -13.53 29.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.011 0.924 . . . . 0.0 110.668 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -73.62 147.35 43.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.466 0.651 . . . . 0.0 110.599 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -132.5 116.24 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 -91.98 111.97 23.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.527 1.131 . . . . 0.0 108.804 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.72 125.18 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.507 0.723 . . . . 0.0 109.883 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.86 137.95 14.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 171.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.62 143.94 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.168 0.987 . . . . 0.0 108.492 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.09 105.59 5.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.371 0.669 . . . . 0.0 109.267 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.45 155.71 64.0 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.228 1.011 . . . . 0.0 110.031 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.74 151.95 82.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.701 2.267 . . . . 0.0 111.045 170.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.09 -1.35 7.45 Favored 'General case' 0 C--N 1.337 0.061 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.1 -21.94 66.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.375 1.07 . . . . 0.0 111.251 168.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.19 158.36 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.357 1.063 . . . . 0.0 110.641 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 157.11 16.14 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.304 0.642 . . . . 0.0 112.089 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.5 125.8 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 122.033 -0.417 . . . . 0.0 110.095 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -151.86 166.69 30.66 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.496 0.718 . . . . 0.0 111.841 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -62.67 155.76 25.42 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 167.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.29 -38.74 84.56 Favored 'General case' 0 CA--C 1.528 0.108 0 O-C-N 121.508 -0.745 . . . . 0.0 111.626 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.5 -23.98 67.62 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.943 0.897 . . . . 0.0 112.996 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm -94.77 -41.51 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.781 1.232 . . . . 0.0 110.911 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.42 -35.92 13.75 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.295 1.438 . . . . 0.0 112.097 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.42 -21.83 65.7 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.6 1.16 . . . . 0.0 113.276 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -84.53 -39.04 19.3 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.534 1.134 . . . . 0.0 110.221 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.644 HD12 ' N ' ' D' ' 51' ' ' ILE . 3.5 mp -73.54 -19.01 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.517 1.527 . . . . 0.0 110.51 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 mp0 -104.62 -17.65 14.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.786 1.234 . . . . 0.0 113.388 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.07 -50.49 5.66 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 119.183 0.901 . . . . 0.0 112.563 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.93 0.82 3.39 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 123.786 0.708 . . . . 0.0 112.882 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.471 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 64.95 56.88 1.03 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.626 1.57 . . . . 0.0 109.835 166.329 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 8.1 p -68.93 -29.78 68.1 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.123 -1.399 . . . . 0.0 114.186 -166.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.427 ' HB3' ' O2 ' ' G' ' 7' ' ' ' C' . . . -129.2 92.17 39.86 Favored Pre-proline 0 N--CA 1.452 -0.326 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 167.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.13 -35.98 75.07 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 124.018 3.146 . . . . 0.0 112.178 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 125.141 1.376 . . . . 0.0 109.871 -170.372 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 119.894 -0.098 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -139.62 121.73 15.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.817 0.847 . . . . 0.0 109.521 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -105.06 129.8 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.818 0.847 . . . . 0.0 108.863 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.2 165.07 29.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.017 0.927 . . . . 0.0 111.602 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -128.21 123.62 34.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.288 0.635 . . . . 0.0 109.653 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.457 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.6 mmp_? -133.49 138.38 46.11 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.658 1.183 . . . . 0.0 109.98 -173.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -95.6 168.47 10.66 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.82 137.03 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.154 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.83 -4.1 83.28 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.05 0.834 . . . . 0.0 114.314 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -93.97 169.89 9.94 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.831 1.315 . . . . 0.0 111.596 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -133.54 154.88 50.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -168.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' E' ' 6' ' ' ARG . 36.8 mt -141.38 157.84 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 126.313 1.845 . . . . 0.0 108.347 -175.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -140.35 150.14 43.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -137.55 140.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.888 1.275 . . . . 0.0 109.151 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 -138.65 48.1 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -121.81 8.58 9.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.026 0.931 . . . . 0.0 111.797 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -138.38 -7.92 1.51 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.3 135.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 110.904 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.7 m -127.14 143.44 51.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.464 1.106 . . . . 0.0 110.213 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mm -123.18 136.81 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.215 1.406 . . . . 0.0 108.29 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -134.52 125.84 28.16 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.129 0.572 . . . . 0.0 109.828 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -78.65 109.17 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.8 -31.88 59.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.483 0.313 . . . . 0.0 110.479 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -172.53 33.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.111 0.386 . . . . 0.0 113.346 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.64 159.1 24.47 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.776 0.83 . . . . 0.0 112.261 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -146.24 89.96 1.91 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.198 1.399 . . . . 0.0 108.619 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.48 -113.59 5.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -93.7 -17.67 22.96 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.269 0.534 . . . . 0.0 111.786 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -74.63 140.57 44.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.469 0.708 . . . . 0.0 109.761 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.6 112.73 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -88.24 119.51 28.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.94 129.92 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.906 0.882 . . . . 0.0 110.092 -169.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.69 140.68 15.45 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.151 0.881 . . . . 0.0 111.177 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.31 126.03 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.766 1.226 . . . . 0.0 108.742 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.17 98.93 5.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.77 155.03 79.73 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 124.724 1.209 . . . . 0.0 110.445 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.0 158.02 40.93 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 122.821 2.347 . . . . 0.0 112.094 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -72.03 -0.99 13.05 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.495 0.718 . . . . 0.0 112.614 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.96 -23.13 65.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.689 1.196 . . . . 0.0 111.718 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -122.02 157.61 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.77 159.3 15.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.1 128.03 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.886 0.474 . . . . 0.0 110.583 171.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -150.97 174.11 13.51 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.856 1.263 . . . . 0.0 109.365 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 44' ' ' ARG . . . . . 0.496 HH21 HD22 ' F' ' 4' ' ' LEU . 6.3 ptp85 -81.34 166.03 20.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.589 -0.694 . . . . 0.0 110.219 169.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.13 -31.15 68.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.992 0.517 . . . . 0.0 112.341 -170.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.34 -48.65 79.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.338 1.055 . . . . 0.0 111.674 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -81.87 -33.03 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.564 0.745 . . . . 0.0 109.813 -171.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -50.94 -35.4 33.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.482 1.113 . . . . 0.0 112.619 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.52 -22.06 63.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.919 0.887 . . . . 0.0 112.65 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -71.81 -46.88 56.7 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.176 0.59 . . . . 0.0 109.634 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.483 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -64.48 -22.96 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 125.415 1.486 . . . . 0.0 110.626 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -85.22 -41.02 15.99 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 169.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.24 -33.28 7.86 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 -166.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -125.77 -23.64 1.63 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 123.965 0.793 . . . . 0.0 112.988 -169.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.438 ' N ' HD13 ' E' ' 55' ' ' LEU . 0.2 OUTLIER 63.9 174.22 0.18 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 128.05 2.54 . . . . 0.0 113.255 169.731 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -94.89 -9.47 34.14 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.889 -175.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.2 132.87 17.02 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 124.171 0.988 . . . . 0.0 109.935 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -66.67 -177.25 0.88 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.974 2.449 . . . . 0.0 113.014 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 N--CA 1.455 -0.189 0 C-N-CA 124.448 1.099 . . . . 0.0 112.788 177.135 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 111.093 0.034 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.53 150.13 20.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.779 0.432 . . . . 0.0 111.391 173.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.73 133.09 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 169.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 4' ' ' LEU . . . . . 0.496 HD22 HH21 ' E' ' 44' ' ' ARG . 55.9 mt -128.93 161.07 30.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.003 1.321 . . . . 0.0 110.151 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.06 100.94 6.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.24 0.543 . . . . 0.0 109.807 169.089 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -105.0 138.94 40.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 126.26 1.824 . . . . 0.0 109.347 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -101.99 167.99 9.69 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 120.495 1.498 . . . . 0.0 112.986 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -56.93 137.49 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.844 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.22 -6.85 78.6 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.364 0.983 . . . . 0.0 113.853 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -98.29 173.51 6.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.643 1.222 . . . . 0.0 111.715 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 158.51 43.22 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 33.5 mt -137.54 158.17 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.732 2.013 . . . . 0.0 108.329 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.63 149.0 50.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.47 -0.769 . . . . 0.0 112.555 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.0 mt -136.91 140.4 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.59 1.156 . . . . 0.0 109.19 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -134.92 49.77 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.46 10.01 6.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.244 1.017 . . . . 0.0 112.328 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -131.23 -22.24 2.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.74 136.42 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 119.116 0.871 . . . . 0.0 110.84 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -127.34 142.58 51.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.316 1.046 . . . . 0.0 110.228 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mm -121.47 142.18 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.443 1.497 . . . . 0.0 108.201 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -135.41 127.63 30.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.149 0.58 . . . . 0.0 109.652 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.01 111.84 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.12 -27.7 26.06 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.207 0.603 . . . . 0.0 111.283 -171.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.73 -173.59 34.44 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.242 0.449 . . . . 0.0 113.511 171.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -127.5 153.3 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.651 0.781 . . . . 0.0 111.873 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 72.4 m -139.42 89.92 2.37 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.066 1.346 . . . . 0.0 109.173 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.46 -107.61 2.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.86 -20.35 19.51 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.298 0.549 . . . . 0.0 111.941 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -73.59 142.63 46.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 110.171 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -133.14 114.46 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.15 129.18 35.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.972 0.909 . . . . 0.0 109.476 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.67 143.0 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.057 0.943 . . . . 0.0 110.038 -168.116 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.22 137.88 14.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 173.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -126.63 133.74 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.999 0.92 . . . . 0.0 109.464 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -127.49 105.94 8.85 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.192 0.997 . . . . 0.0 109.29 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 157.87 76.99 Favored Pre-proline 0 N--CA 1.453 -0.283 0 C-N-CA 123.917 0.887 . . . . 0.0 111.203 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.94 160.42 41.4 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.918 2.412 . . . . 0.0 112.211 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.6 -13.94 37.23 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -13.94 61.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.15 1.38 . . . . 0.0 112.496 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 m -127.3 163.76 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.105 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.42 163.2 12.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 111.468 172.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.99 126.31 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.5 0.72 . . . . 0.0 110.094 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -153.42 176.57 11.86 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.042 0.937 . . . . 0.0 110.505 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.46 163.57 25.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.859 -0.526 . . . . 0.0 109.77 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.59 -29.72 69.37 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.15 -47.7 77.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.705 0.802 . . . . 0.0 111.43 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -87.61 -30.04 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.615 0.766 . . . . 0.0 110.309 -170.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -50.28 -36.83 33.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.474 1.11 . . . . 0.0 112.864 175.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -60.46 -22.01 62.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.893 0.877 . . . . 0.0 112.405 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.96 -22.83 52.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.546 0.739 . . . . 0.0 110.783 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.493 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.6 mp -97.62 -24.52 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.815 1.246 . . . . 0.0 109.956 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -85.31 -49.77 7.89 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 170.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.12 -27.98 13.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -165.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.0 -27.62 1.0 Allowed Glycine 0 CA--C 1.525 0.68 0 CA-C-N 118.71 0.686 . . . . 0.0 112.282 -169.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.62 159.69 0.14 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 128.714 2.805 . . . . 0.0 113.263 173.326 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 40.5 p -95.01 -0.93 53.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.882 -174.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.89 135.06 19.54 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.339 1.055 . . . . 0.0 109.677 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -65.07 179.22 1.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.025 2.483 . . . . 0.0 113.401 172.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.454 -0.271 0 C-N-CA 124.328 1.051 . . . . 0.0 112.56 176.334 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.282 0 O4'-C1'-N19 111.691 3.491 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.563 3.363 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 O4'-C1'-N19 112.804 4.604 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 1 O4'-C1'-N19 112.403 4.203 . 0.123 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.437 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C3'-C2'-C1' 104.835 3.706 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.437 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.098 2 C5'-C4'-C3' 107.957 -5.029 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.427 ' O2 ' ' HB3' ' D' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 C5'-C4'-C3' 108.469 -4.687 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 C3'-C2'-C1' 103.9 2.667 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 O5'-C5'-C4' 113.268 2.192 . 0.013 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C3'-C2'-C1' 104.492 3.324 . 0.115 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 O4'-C1'-N19 111.447 3.247 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C4'-C3' 108.589 2.206 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C5'-C4'-C3' 110.841 -3.106 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 100.449 -2.251 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.662 3.462 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.767 3.567 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 110.117 -3.589 . 0.903 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 113.376 5.176 . 0.189 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 O4'-C1'-N19 110.939 2.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.855 3.655 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 O4'-C1'-N19 112.459 4.259 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.033 0 O4'-C1'-N19 110.996 2.796 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.777 4.577 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 112.139 3.939 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 C5'-C4'-C3' 110.397 -3.402 . 0.318 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 O4'-C1'-N19 111.221 3.021 . 0.287 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.434 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 C5'-C4'-C3' 111.515 -2.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.421 " O2'" ' HE2' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-C3' 111.591 -2.606 . 0.065 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C5'-C4'-C3' 111.57 -2.62 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.563 3.363 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C4'-C3'-C2' 100.16 -2.54 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.249 3.049 . 0.571 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.315 4.115 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 C4'-C3'-C2' 99.047 -3.653 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C4'-C3'-C2' 99.765 -2.935 . 0.12 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.57 3.37 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 P-O3'-C3' 122.702 2.502 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C5'-C4'-C3' 110.676 -3.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C3'-C2'-C1' 104.074 2.859 . 0.351 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 1 O4'-C1'-N19 113.324 5.124 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.405 1 C5'-C4'-C3' 108.544 -4.637 . 0.028 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 O4'-C1'-N19 112.208 4.008 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 2 O4'-C1'-N19 114.467 6.267 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 1 O4'-C1'-N19 112.416 4.216 . 0.103 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 1 O4'-C1'-N19 112.258 4.058 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 C4'-C3'-C2' 99.789 -2.911 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 111.685 3.485 . 0.499 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 1 C3'-C2'-C1' 105.458 4.398 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.073 2.873 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 112.04 3.84 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . 0.45 ' C2 ' " H1'" ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.403 2 O5'-C5'-C4' 116.637 4.598 . 0.012 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.449 H5'' " C2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.477 1 O5'-C5'-C4' 117.868 5.477 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . 0.45 " H1'" ' C2 ' ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C5'-C4'-C3' 112.046 -2.302 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 1 O4'-C1'-N19 112.3 4.1 . 0.922 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 100.502 -2.198 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 110.838 2.638 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C5'-C4'-C3' 112.022 -2.318 . 0.026 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 O4'-C1'-N19 112.031 3.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 112.163 3.963 . 0.205 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 O4'-C1'-N19 111.683 3.483 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 111.816 3.616 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O4'-C1'-N19 112.519 4.319 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 0 C5'-C4'-C3' 111.307 -2.795 . 0.448 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 C4'-C3'-C2' 99.174 -3.526 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.022 2.822 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.385 0 C5'-C4'-C3' 110.866 -3.089 . 0.158 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 2 C5'-C4'-C3' 105.018 -6.988 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 P-O3'-C3' 125.851 5.126 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 N19-C1'-C2' 109.155 -2.653 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 1 O4'-C1'-N19 112.61 4.41 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 111.017 2.817 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.148 2.948 . 0.447 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 116.11 28.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.536 0.734 . . . . 0.0 109.78 -177.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -100.15 138.87 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.692 0.797 . . . . 0.0 110.45 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt -136.4 163.23 30.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.58 1.152 . . . . 0.0 109.287 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -126.8 100.92 6.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -106.14 135.5 47.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.064 0.546 . . . . 0.0 110.661 -174.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -92.57 156.56 17.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 25' ' ' VAL . 33.1 m -62.47 135.08 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.567 -170.468 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.03 -1.18 67.48 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.326 0.965 . . . . 0.0 114.363 -172.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -96.79 171.35 8.57 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.971 1.386 . . . . 0.0 111.833 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 159.69 41.64 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.3 mm -131.52 156.17 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 126.878 2.071 . . . . 0.0 108.153 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -128.95 143.97 51.04 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.826 1.251 . . . . 0.0 109.807 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.0 132.81 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.787 0.835 . . . . 0.0 109.313 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 -129.79 40.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.94 4.94 4.94 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 172.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -135.4 -7.56 2.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -118.24 139.82 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.165 0.986 . . . . 0.0 110.398 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.1 m -138.88 145.62 40.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.957 0.903 . . . . 0.0 109.595 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -126.61 143.6 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.09 1.356 . . . . 0.0 108.352 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -138.92 133.12 31.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.392 0.677 . . . . 0.0 109.95 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.04 109.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 171.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.96 -31.76 45.12 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.051 -0.405 . . . . 0.0 110.114 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.6 -176.97 34.61 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 165.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 8' ' ' VAL . 23.8 m -87.56 155.94 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.953 0.901 . . . . 0.0 112.037 -171.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -143.31 60.89 1.4 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.82 1.248 . . . . 0.0 110.0 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.59 -121.94 18.8 Favored Glycine 0 CA--C 1.526 0.78 0 O-C-N 121.606 -0.683 . . . . 0.0 111.417 -173.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -77.56 -4.57 46.44 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.535 0.734 . . . . 0.0 111.98 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -98.86 160.97 13.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.986 0.898 . . . . 0.0 111.354 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.94 129.61 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 125.553 1.541 . . . . 0.0 108.024 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HG2' HG23 ' B' ' 5' ' ' THR . 42.6 mtm-85 -104.33 101.95 11.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.98 0.512 . . . . 0.0 110.031 -175.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.1 mt -106.75 135.71 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.402 1.481 . . . . 0.0 109.455 -173.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.52 141.19 16.01 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.108 0.861 . . . . 0.0 111.444 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.37 137.33 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.521 1.528 . . . . 0.0 108.15 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -128.52 74.88 1.59 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.597 1.159 . . . . 0.0 109.144 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.42 154.78 47.66 Favored Pre-proline 0 N--CA 1.453 -0.282 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.993 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 157.46 45.22 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.701 2.268 . . . . 0.0 110.461 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -69.46 -1.06 7.51 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.88 -30.02 70.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.071 0.948 . . . . 0.0 111.22 168.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -120.43 144.08 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.819 0.848 . . . . 0.0 111.206 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.57 142.95 27.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.513 0.725 . . . . 0.0 110.745 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.61 124.37 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 122.972 0.509 . . . . 0.0 110.246 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -153.8 161.09 42.36 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 109.785 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -86.05 166.51 15.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.006 -0.434 . . . . 0.0 111.983 171.684 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -68.72 -26.44 65.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.024 0.53 . . . . 0.0 112.191 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.96 -22.27 62.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.632 1.173 . . . . 0.0 112.548 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.7 -25.69 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.421 1.088 . . . . 0.0 111.235 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.78 -31.12 72.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.425 -0.797 . . . . 0.0 110.538 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.94 -11.43 60.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.894 0.878 . . . . 0.0 112.142 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.08 -30.63 25.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.688 1.195 . . . . 0.0 110.972 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.498 ' HA ' HD12 ' A' ' 55' ' ' LEU . 60.2 mt -69.54 -49.81 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.876 0.871 . . . . 0.0 109.197 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 16.8 mm100 -84.05 5.28 26.51 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.862 1.265 . . . . 0.0 112.129 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.2 -11.04 17.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.893 0.877 . . . . 0.0 112.681 172.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.19 14.52 1.23 Allowed Glycine 0 CA--C 1.523 0.568 0 CA-C-O 118.699 -1.056 . . . . 0.0 112.606 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 56' ' ' THR . 5.5 mt -91.75 86.54 5.98 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 119.193 1.497 . . . . 0.0 107.127 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' LEU . 15.3 p 165.34 133.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 O-C-N 120.512 -1.368 . . . . 0.0 108.346 -175.234 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.17 164.99 15.93 Favored Pre-proline 0 C--O 1.232 0.171 0 C-N-CA 124.111 0.964 . . . . 0.0 112.51 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.84 168.39 23.11 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.18 2.586 . . . . 0.0 111.712 168.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 123.987 0.915 . . . . 0.0 112.542 -175.489 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.412 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 33.4 tpp . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 119.727 -0.178 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.61 123.48 49.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.01 1.324 . . . . 0.0 107.508 168.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.455 HD11 " H5'" ' G' ' 52' ' ' ' A' . 59.7 mt -120.03 142.2 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -165.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -138.22 142.07 39.97 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.212 1.405 . . . . 0.0 110.946 -176.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 31' ' ' ARG . 90.5 m -122.14 101.97 7.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -128.21 162.3 27.3 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.196 0.998 . . . . 0.0 110.572 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -94.87 168.72 10.62 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.225 0.536 . . . . 0.0 112.443 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -62.41 137.98 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.289 0.566 . . . . 0.0 110.997 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.27 -2.02 83.0 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.098 -0.835 . . . . 0.0 114.294 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.56 159.85 22.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.01 1.405 . . . . 0.0 112.096 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -127.87 148.63 50.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 111.132 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 25.8 mt -138.98 158.63 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.144 1.377 . . . . 0.0 109.422 -173.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -137.83 145.95 42.89 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.138 -170.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -136.2 131.23 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.41 1.084 . . . . 0.0 109.583 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.94 -134.99 52.2 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -126.71 5.04 6.71 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.571 0.749 . . . . 0.0 112.278 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -118.57 -11.97 9.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.897 0.879 . . . . 0.0 112.874 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.55 135.7 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 119.0 0.818 . . . . 0.0 111.236 -172.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -130.47 148.69 52.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.912 1.285 . . . . 0.0 109.556 171.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -127.56 147.22 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 126.203 1.801 . . . . 0.0 108.225 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -141.23 131.01 24.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.815 0.446 . . . . 0.0 109.841 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -85.09 104.85 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 170.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -73.29 -32.49 64.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.983 -0.448 . . . . 0.0 111.009 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.78 176.12 31.5 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 146.13 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.9 t -123.05 65.85 0.98 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.599 1.56 . . . . 0.0 107.531 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.61 -119.71 5.18 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.78 -171.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.62 6.79 47.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.214 0.605 . . . . 0.0 111.095 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.92 159.13 15.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.228 1.011 . . . . 0.0 109.269 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.1 t -140.05 116.56 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.825 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.91 116.89 23.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.532 1.133 . . . . 0.0 109.724 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.97 133.46 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.463 1.105 . . . . 0.0 109.694 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.99 141.54 15.49 Favored Glycine 0 C--N 1.334 0.466 0 C-N-CA 123.651 0.644 . . . . 0.0 111.895 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.5 mt -126.28 133.24 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.163 0.985 . . . . 0.0 108.965 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -132.84 80.94 1.92 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.544 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.12 74.67 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.78 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -59.39 158.88 25.13 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.054 1.836 . . . . 0.0 111.704 169.704 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -72.81 -0.73 14.18 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.697 0.799 . . . . 0.0 112.332 169.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.0 -17.7 64.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.362 1.465 . . . . 0.0 111.9 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -122.34 144.21 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.638 1.175 . . . . 0.0 110.481 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.36 142.98 27.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.381 0.61 . . . . 0.0 111.927 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -144.92 98.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.852 -166.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.552 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.2 OUTLIER -147.65 165.37 30.65 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.879 0.872 . . . . 0.0 111.705 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 28.5 ptt-85 -68.48 157.02 36.79 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.085 0.554 . . . . 0.0 111.821 170.052 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.35 -44.01 68.19 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.607 0.763 . . . . 0.0 112.644 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.92 -6.31 26.64 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -102.38 -49.48 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.662 1.185 . . . . 0.0 110.173 171.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -51.02 -36.98 42.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 112.007 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.86 -20.86 63.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -81.33 -37.84 27.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 119.056 0.844 . . . . 0.0 110.681 169.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.3 mt -66.8 -39.48 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -175.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.8 mm100 -79.2 5.01 13.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 172.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -83.99 -8.87 59.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.421 0.688 . . . . 0.0 112.798 170.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.93 41.07 0.25 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.464 -0.631 . . . . 0.0 114.448 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -167.02 -172.99 2.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.968 0.884 . . . . 0.0 113.167 -167.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.8 m -130.34 170.95 13.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.574 1.55 . . . . 0.0 108.47 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.98 119.7 0.69 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 125.215 1.406 . . . . 0.0 111.709 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -65.67 178.78 2.02 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.479 2.119 . . . . 0.0 113.965 -169.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 123.751 0.82 . . . . 0.0 112.544 175.208 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpp . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.36 104.23 13.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 120.253 1.388 . . . . 0.0 108.586 174.613 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.5 136.77 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.011 0.924 . . . . 0.0 110.023 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -134.37 134.99 42.35 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.848 1.259 . . . . 0.0 109.912 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -88.69 136.31 33.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.171 -0.331 . . . . 0.0 110.342 169.653 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.7 mmp_? -133.09 137.59 46.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.329 0.652 . . . . 0.0 110.535 169.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -95.31 151.84 18.9 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.063 0.945 . . . . 0.0 108.582 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -54.91 135.1 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 119.136 0.88 . . . . 0.0 113.31 -168.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.76 -5.37 83.56 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.275 1.416 . . . . 0.0 114.082 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -85.09 169.61 13.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.312 1.556 . . . . 0.0 112.17 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -136.07 161.27 36.17 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -169.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mt -138.14 153.12 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 C-N-CA 126.422 1.889 . . . . 0.0 109.43 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -119.39 144.56 46.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.619 1.167 . . . . 0.0 111.881 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.3 mm -132.37 135.79 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.886 1.274 . . . . 0.0 108.859 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.23 -133.23 45.83 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -169.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -128.44 10.03 6.14 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.723 0.809 . . . . 0.0 111.417 169.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.39 -5.64 4.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.502 1.121 . . . . 0.0 112.602 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.61 144.56 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.772 0.829 . . . . 0.0 110.653 -173.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -136.71 149.69 48.03 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.459 1.103 . . . . 0.0 110.037 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -129.4 145.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.775 1.63 . . . . 0.0 108.503 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.5 m -137.66 132.47 33.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.165 0.439 . . . . 0.0 111.236 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.73 109.47 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 167.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.57 -34.64 23.17 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.925 -0.484 . . . . 0.0 109.742 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.02 -173.02 43.5 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 116.908 -0.133 . . . . 0.0 113.006 169.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.59 153.98 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.279 0.632 . . . . 0.0 110.665 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -142.11 93.26 2.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.472 1.109 . . . . 0.0 108.507 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -123.79 14.19 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -168.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.76 -3.41 52.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.998 0.919 . . . . 0.0 112.006 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -82.58 156.29 24.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.497 0.719 . . . . 0.0 110.851 174.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -134.41 117.18 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -78.04 114.35 16.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt -116.13 126.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.735 1.214 . . . . 0.0 109.496 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.73 142.76 18.0 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 125.189 1.376 . . . . 0.0 111.517 170.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 1' ' ' MET . 62.5 mt -130.07 133.84 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -135.9 91.64 2.72 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.949 0.5 . . . . 0.0 109.898 -173.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 154.3 81.76 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 109.995 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.98 151.6 83.77 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.609 2.206 . . . . 0.0 110.903 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -67.26 -0.99 3.92 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.453 0.701 . . . . 0.0 112.359 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -21.65 66.46 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.751 1.221 . . . . 0.0 111.314 168.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 m -127.35 154.82 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.505 1.122 . . . . 0.0 110.817 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.27 153.4 20.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.65 0.38 . . . . 0.0 111.881 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.34 131.32 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.379 0.672 . . . . 0.0 109.649 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -152.4 167.4 28.85 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.586 0.754 . . . . 0.0 110.925 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' D' ' 12' ' ' ILE . 30.3 ptt-85 -87.5 162.86 17.0 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 167.277 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.53 -35.53 76.23 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.074 0.55 . . . . 0.0 111.73 -169.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.26 -14.99 61.0 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.02 -35.01 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.876 0.871 . . . . 0.0 110.868 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.23 -33.78 54.32 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.797 1.239 . . . . 0.0 112.235 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -60.96 -26.14 67.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.674 0.789 . . . . 0.0 112.571 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.86 -37.03 75.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.76 . . . . 0.0 111.799 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.439 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.3 mp -69.35 -19.5 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -96.72 1.95 51.51 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.087 0.955 . . . . 0.0 112.571 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -0.14 56.16 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.897 0.879 . . . . 0.0 112.898 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.95 6.44 67.09 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 119.535 -0.591 . . . . 0.0 112.67 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.405 HD22 ' N ' ' C' ' 55' ' ' LEU . 1.8 mm? 58.8 -167.94 0.15 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.684 1.593 . . . . 0.0 111.728 174.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.3 t -79.02 -17.87 54.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.988 0.515 . . . . 0.0 112.309 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.44 131.73 12.04 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.113 0.965 . . . . 0.0 110.065 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -64.15 173.67 4.82 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.915 2.41 . . . . 0.0 113.159 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 N--CA 1.454 -0.264 0 C-N-CA 123.861 0.865 . . . . 0.0 112.64 178.768 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 52.9 mmm . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.07 110.62 9.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 107.103 166.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.0 141.38 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.946 1.298 . . . . 0.0 109.91 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -139.64 167.16 22.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.833 1.253 . . . . 0.0 111.804 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.34 117.21 29.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.127 0.971 . . . . 0.0 109.302 165.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.2 OUTLIER -114.92 140.44 49.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.325 0.65 . . . . 0.0 110.279 167.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -80.48 164.09 23.27 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 168.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.566 HG11 HG12 ' D' ' 25' ' ' VAL . 19.2 m -49.96 137.59 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.31 168.115 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.7 0.76 85.86 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 119.132 -0.816 . . . . 0.0 114.342 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.77 173.13 6.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.65 1.225 . . . . 0.0 112.024 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -137.01 156.03 48.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' C' ' 44' ' ' ARG . 41.4 mm -137.08 156.3 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 127.681 2.392 . . . . 0.0 108.676 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -134.33 147.31 50.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.302 1.041 . . . . 0.0 111.839 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -135.06 138.59 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.515 1.126 . . . . 0.0 109.061 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.31 -134.49 52.3 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -130.05 9.98 5.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.029 0.932 . . . . 0.0 112.612 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -131.19 -6.64 3.85 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.29 136.74 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 119.036 0.835 . . . . 0.0 110.631 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -134.89 148.04 50.0 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.809 1.243 . . . . 0.0 109.668 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -130.43 141.02 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.528 1.531 . . . . 0.0 107.876 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -137.15 124.84 22.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.166 0.586 . . . . 0.0 109.608 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.4 111.32 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 57.1 mt -82.18 -29.88 31.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.474 0.709 . . . . 0.0 110.771 -171.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -178.77 41.67 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-O 120.986 0.215 . . . . 0.0 112.867 168.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.566 HG12 HG11 ' D' ' 8' ' ' VAL . 7.4 p -124.04 135.12 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.509 1.124 . . . . 0.0 109.827 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 54.6 m -132.6 71.07 1.46 Allowed 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.955 1.302 . . . . 0.0 109.956 -169.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.57 -117.51 4.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.35 -19.41 31.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.457 1.103 . . . . 0.0 110.551 172.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -77.38 150.3 35.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.665 0.786 . . . . 0.0 111.168 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -133.22 121.11 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -95.98 109.83 22.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.653 0.781 . . . . 0.0 109.01 -175.046 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -116.07 128.53 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.626 0.771 . . . . 0.0 110.057 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.32 138.5 14.14 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.22 0.914 . . . . 0.0 111.012 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 141.7 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -138.03 103.46 4.97 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.433 0.693 . . . . 0.0 109.615 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.72 156.91 75.87 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.111 0.964 . . . . 0.0 109.617 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.72 152.87 78.54 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.268 1.979 . . . . 0.0 110.726 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.56 -0.95 9.58 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.14 -19.05 64.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.785 1.234 . . . . 0.0 111.485 168.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.1 160.02 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.664 1.185 . . . . 0.0 110.218 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.26 157.04 17.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.85 125.87 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.107 0.563 . . . . 0.0 110.126 170.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -147.01 159.92 43.0 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.592 0.757 . . . . 0.0 110.482 171.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -69.32 160.53 31.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.974 -0.454 . . . . 0.0 110.592 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.14 -32.7 71.27 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.749 0.704 . . . . 0.0 112.736 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -77.76 -26.32 49.76 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.434 -0.791 . . . . 0.0 112.917 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 mm -82.52 -39.17 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.474 0.709 . . . . 0.0 110.205 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.33 -37.96 68.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.36 1.464 . . . . 0.0 111.767 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.24 -20.9 60.88 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.054 0.942 . . . . 0.0 112.879 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.24 -36.16 35.06 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.058 0.845 . . . . 0.0 111.349 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.739 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.2 mp -77.97 -18.77 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 118.81 0.732 . . . . 0.0 110.304 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -96.92 -5.44 38.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.01 -35.11 5.77 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.44 88.58 0.07 OUTLIER Glycine 0 CA--C 1.522 0.528 0 C-N-CA 125.965 1.745 . . . . 0.0 109.26 -170.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.962 ' H ' HD13 ' D' ' 55' ' ' LEU . 0.0 OUTLIER -75.68 151.85 37.62 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.738 2.015 . . . . 0.0 110.02 -168.5 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 56' ' ' THR . . . . . 0.503 HG22 ' C4 ' ' G' ' 7' ' ' ' C' . 0.8 OUTLIER -142.49 177.01 8.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 173.739 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 47.12 63.32 10.33 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 124.389 1.076 . . . . 0.0 111.745 -169.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -46.72 -42.57 24.19 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.604 2.869 . . . . 0.0 112.134 172.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 125.406 1.482 . . . . 0.0 108.289 -175.671 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -128.74 127.0 41.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.458 1.026 . . . . 0.0 110.757 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.83 142.17 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.619 1.168 . . . . 0.0 109.921 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.43 164.3 28.48 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.702 1.601 . . . . 0.0 110.735 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -138.0 97.23 3.36 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.012 0.525 . . . . 0.0 109.706 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.39 142.59 44.74 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.805 1.242 . . . . 0.0 111.635 -171.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -80.92 166.8 20.54 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.583 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.14 141.72 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 O-C-N 122.052 -0.405 . . . . 0.0 111.574 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 0.01 88.86 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 123.673 0.654 . . . . 0.0 113.764 -175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.89 173.87 8.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.561 1.18 . . . . 0.0 111.92 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -139.99 159.75 41.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.485 0.714 . . . . 0.0 112.014 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -151.25 154.39 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 126.756 2.022 . . . . 0.0 108.469 -168.27 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.97 149.77 49.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.6 mt -137.17 139.29 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.78 1.232 . . . . 0.0 109.179 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.53 -137.13 50.11 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -129.48 10.08 5.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.104 0.962 . . . . 0.0 112.144 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -131.14 -5.05 3.88 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.03 135.89 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 119.375 0.989 . . . . 0.0 110.823 -174.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 44.3 m -129.48 144.41 51.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.439 1.095 . . . . 0.0 110.078 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -126.89 138.18 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.025 1.33 . . . . 0.0 108.678 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -132.5 134.11 44.61 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.453 0.701 . . . . 0.0 110.037 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -89.11 108.83 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.02 -29.26 58.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 110.96 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -170.33 33.34 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.736 0.684 . . . . 0.0 112.902 170.036 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.06 158.84 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.491 0.646 . . . . 0.0 112.212 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.5 p -149.13 97.03 2.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.802 1.241 . . . . 0.0 109.22 169.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.41 -122.32 17.66 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 63.5 mm-40 -89.07 -17.2 29.79 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.18 0.49 . . . . 0.0 112.02 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.88 141.76 51.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.61 0.764 . . . . 0.0 109.177 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -134.16 115.46 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -85.44 122.57 29.77 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.69 135.49 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.733 0.813 . . . . 0.0 110.288 -168.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.53 143.28 15.65 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.449 1.023 . . . . 0.0 111.607 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.96 136.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.064 1.346 . . . . 0.0 109.077 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -136.9 99.01 3.91 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.779 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.31 155.28 78.84 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.657 1.183 . . . . 0.0 110.52 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.6 158.47 36.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.86 2.373 . . . . 0.0 112.057 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -73.21 -0.96 15.84 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.378 0.671 . . . . 0.0 112.744 173.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.62 -17.94 64.21 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.097 1.359 . . . . 0.0 112.34 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.55 162.45 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.066 0.947 . . . . 0.0 110.862 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.87 156.39 16.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -155.05 125.58 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.308 0.643 . . . . 0.0 110.466 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -150.35 168.16 24.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.227 1.011 . . . . 0.0 110.048 174.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 44' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 26.9 ptt85 -78.81 165.25 23.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.732 -0.605 . . . . 0.0 110.364 170.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.16 -25.47 65.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.933 0.493 . . . . 0.0 112.056 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -65.89 -45.1 83.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.038 0.935 . . . . 0.0 112.343 175.241 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -85.29 -30.34 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.3 0.64 . . . . 0.0 110.336 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.36 -32.52 57.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.128 0.971 . . . . 0.0 112.374 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.88 -23.86 61.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.422 0.689 . . . . 0.0 112.699 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -72.2 -22.97 61.19 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 123.272 0.629 . . . . 0.0 110.84 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -96.09 -46.49 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 124.006 0.922 . . . . 0.0 109.66 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -69.05 3.05 2.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 174.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.64 65.92 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.239 1.015 . . . . 0.0 112.548 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.61 26.05 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 115.134 0.813 . . . . 0.0 115.134 169.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -157.15 168.06 28.56 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.673 1.237 . . . . 0.0 112.238 -169.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -144.44 4.63 1.2 Allowed 'General case' 0 C--O 1.23 0.069 0 C-N-CA 123.841 0.856 . . . . 0.0 112.731 169.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.01 132.66 13.82 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 123.717 0.807 . . . . 0.0 110.395 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -65.71 -178.79 1.05 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.189 2.593 . . . . 0.0 113.964 172.15 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t0 . . . . . 0 N--CA 1.452 -0.371 0 C-N-CA 124.113 0.965 . . . . 0.0 112.692 -178.465 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.74 149.09 24.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.885 0.474 . . . . 0.0 111.67 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.27 139.61 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.919 0.888 . . . . 0.0 109.048 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.4 164.78 27.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.786 1.235 . . . . 0.0 110.115 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.76 97.44 4.83 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 169.027 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.02 137.93 42.02 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.788 1.635 . . . . 0.0 109.677 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -102.55 167.38 9.96 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 120.176 1.353 . . . . 0.0 113.645 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -55.98 135.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.526 -171.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -0.58 78.35 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.135 0.874 . . . . 0.0 114.141 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -98.91 170.52 8.68 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.524 1.162 . . . . 0.0 111.246 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -136.06 158.22 44.93 Favored 'General case' 0 C--N 1.338 0.077 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -169.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 66.0 mt -138.03 158.06 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 126.421 1.888 . . . . 0.0 108.587 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -131.54 147.48 52.54 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.109 0.964 . . . . 0.0 111.967 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -135.81 140.61 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.358 1.063 . . . . 0.0 109.059 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 -135.74 51.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.74 10.0 5.51 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.965 0.906 . . . . 0.0 112.341 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -130.85 -12.6 3.72 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.02 136.22 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.064 0.847 . . . . 0.0 110.743 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 56.7 m -129.72 144.37 51.26 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.58 1.152 . . . . 0.0 110.145 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -124.74 141.97 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.688 1.595 . . . . 0.0 108.394 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -139.08 132.63 30.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.034 0.534 . . . . 0.0 110.192 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 22' ' ' ILE . . . . . 0.404 HG22 ' H ' ' F' ' 22' ' ' ILE . 2.0 tp -87.27 109.42 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -81.13 -28.5 35.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.432 0.693 . . . . 0.0 111.429 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.43 -172.69 35.43 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.594 0.616 . . . . 0.0 112.727 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.85 153.06 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.118 0.567 . . . . 0.0 111.41 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -140.46 89.89 2.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.66 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.53 -126.46 30.28 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -171.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 41.8 mm-40 -79.02 -17.94 54.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 173.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.74 146.42 44.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.518 0.675 . . . . 0.0 110.758 173.659 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.09 120.58 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -90.44 125.44 35.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.99 0.916 . . . . 0.0 108.87 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.48 144.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.609 0.764 . . . . 0.0 110.522 -167.276 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.55 141.17 14.39 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.357 0.979 . . . . 0.0 111.352 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.7 137.71 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.695 1.198 . . . . 0.0 109.65 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.4 108.35 10.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.745 1.218 . . . . 0.0 109.118 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.33 158.84 74.72 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.878 0.871 . . . . 0.0 111.303 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 160.87 32.74 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 122.68 2.253 . . . . 0.0 112.13 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.4 -12.7 45.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -72.44 -12.74 61.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.175 1.39 . . . . 0.0 112.529 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m -130.4 167.33 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 124.117 0.967 . . . . 0.0 111.033 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.78 162.91 13.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.892 0.877 . . . . 0.0 111.262 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.13 126.32 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.337 0.655 . . . . 0.0 110.623 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -153.15 173.26 15.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.269 1.028 . . . . 0.0 109.993 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -71.65 157.3 38.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 167.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.45 -16.38 62.33 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.16 -47.29 85.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.698 0.799 . . . . 0.0 111.457 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -82.48 -28.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.898 0.479 . . . . 0.0 110.222 -173.054 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.46 -33.26 65.74 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.61 0.764 . . . . 0.0 112.441 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.33 -23.17 61.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.262 0.625 . . . . 0.0 112.514 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.81 -22.93 58.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.307 0.643 . . . . 0.0 110.974 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -95.38 -46.75 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.909 0.884 . . . . 0.0 110.334 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -69.54 2.98 2.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.86 -16.61 64.42 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.142 0.977 . . . . 0.0 112.812 169.16 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.88 26.64 0.08 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 169.237 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.43 178.03 10.6 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.61 1.205 . . . . 0.0 112.153 -168.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 6.9 p -138.17 13.04 2.84 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.979 0.912 . . . . 0.0 112.752 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.63 130.15 12.16 Favored Pre-proline 0 N--CA 1.452 -0.363 0 C-N-CA 123.845 0.858 . . . . 0.0 110.246 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -60.45 147.29 94.7 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.111 2.541 . . . . 0.0 113.044 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t0 . . . . . 0 CA--C 1.532 0.25 0 C-N-CA 125.313 1.445 . . . . 0.0 113.248 171.168 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 112.156 3.956 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 112.089 3.889 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 1 O4'-C1'-N19 112.925 4.725 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.513 3.313 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C5'-C4'-C3' 109.829 -3.781 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 C4'-C3'-C2' 98.982 -3.718 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.739 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.909 2 O4'-C1'-N19 113.465 5.265 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 1 P-O3'-C3' 127.374 6.395 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 O5'-C5'-C4' 112.96 1.971 . 0.043 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 C3'-C2'-C1' 105.135 4.039 . 0.131 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 112.061 3.861 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C4'-C3' 109.038 2.527 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 C5'-C4'-C3' 110.777 -3.149 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C5'-C4'-C3' 112.032 -2.312 . 0.891 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 111.59 3.39 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 O4'-C1'-N19 111.55 3.35 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 111.513 3.313 . 0.889 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 1 O4'-C1'-N19 112.453 4.253 . 0.866 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 110.886 2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.747 3.547 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.645 4.445 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.381 3.181 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 112.997 4.797 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 112.027 3.827 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 1 C5'-C4'-C3' 109.492 -4.005 . 0.471 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 99.794 -2.906 . 0.433 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.552 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 C4'-C3'-C2' 99.04 -3.66 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 0 C5'-C4'-C3' 112.257 -2.162 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C5'-C4'-C3' 110.602 -3.265 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 C5'-C4'-C3' 109.399 -4.067 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 1 P-O3'-C3' 125.284 4.654 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.298 3.098 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.259 4.059 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C4'-C3'-C2' 99.035 -3.665 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.386 -3.314 . 0.376 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 O4'-C1'-N19 111.462 3.262 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 C4'-C3'-C2' 100.446 -2.254 . 0.057 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C5'-C4'-C3' 110.069 -3.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 0 C3'-C2'-C1' 104.063 2.848 . 0.221 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 1 O4'-C1'-N19 113.212 5.012 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 1 C5'-C4'-C3' 109.368 -4.088 . 0.037 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 O4'-C1'-N19 111.671 3.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 2 C5'-C4'-C3' 109.0 -4.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 1 O4'-C1'-N19 112.874 4.674 . 0.03 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 O4'-C1'-N19 112.408 4.208 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C4'-C3'-C2' 99.837 -2.863 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C1'-N19 112.12 3.92 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.449 3.277 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 99.264 -3.436 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.159 2.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 C5'-C4'-C3' 111.173 -2.885 . 0.409 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.455 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.201 4 C3'-C2'-C1' 108.019 7.244 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 1 P-O3'-C3' 127.231 6.276 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.302 4.102 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C4'-C3'-C2' 100.088 -2.612 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 O4'-C1'-N19 111.063 2.863 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 1 O4'-C1'-N19 114.351 6.151 . 0.441 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.261 3.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 112.009 3.809 . 0.221 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 111.672 3.472 . 0.228 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 112.033 3.833 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 112.06 3.86 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 110.644 2.444 . 0.313 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 C4'-C3'-C2' 98.976 -3.724 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C5'-C4'-C3' 112.107 -2.262 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.489 0 C5'-C4'-O4' 112.67 2.478 . 0.146 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 2 C5'-C4'-C3' 104.952 -7.032 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 1 P-O3'-C3' 126.228 5.44 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 110.958 2.758 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 O4'-C1'-N19 112.43 4.23 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 111.01 2.81 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.383 3.183 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.63 114.15 25.78 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.442 0.697 . . . . 0.0 109.813 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.14 136.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.527 0.731 . . . . 0.0 109.261 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.4 mt -132.04 159.35 39.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.137 0.975 . . . . 0.0 109.57 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.4 m -120.1 100.89 7.47 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.83 133.78 54.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.387 0.675 . . . . 0.0 110.736 -168.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -98.01 155.69 16.99 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -48.4 126.64 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.53 0.732 . . . . 0.0 110.815 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.96 -1.86 74.98 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.563 1.078 . . . . 0.0 114.232 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -98.33 168.97 9.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.75 1.275 . . . . 0.0 111.328 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -134.12 151.44 51.37 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -168.318 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.7 mm -112.74 156.7 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 126.092 1.757 . . . . 0.0 109.772 170.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -129.86 141.28 50.84 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.501 1.121 . . . . 0.0 110.579 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -135.27 131.11 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.384 1.074 . . . . 0.0 109.582 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.08 -128.28 25.4 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -128.75 1.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.986 0.914 . . . . 0.0 111.852 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -147.14 -3.56 0.57 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.61 135.31 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 119.351 0.978 . . . . 0.0 110.589 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -130.76 145.31 51.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.903 0.881 . . . . 0.0 109.629 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -126.89 144.25 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.896 1.278 . . . . 0.0 108.448 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.3 m -137.26 134.57 36.31 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.568 0.622 . . . . 0.0 110.638 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.97 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.06 -28.96 67.0 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.95 -0.469 . . . . 0.0 110.145 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.39 -167.93 40.2 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 117.753 0.251 . . . . 0.0 113.094 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 155.0 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.764 0.826 . . . . 0.0 111.235 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . 58.7 m -130.45 60.97 1.61 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 110.29 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 -124.0 6.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -171.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -76.4 4.11 9.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.731 0.812 . . . . 0.0 111.659 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 83.4 mt-30 -98.91 163.38 12.62 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.214 1.006 . . . . 0.0 112.391 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.76 129.45 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.91 1.684 . . . . 0.0 108.556 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HG2' HG23 ' B' ' 5' ' ' THR . 47.6 mtm-85 -111.14 101.93 10.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.112 0.965 . . . . 0.0 110.188 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.96 128.38 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.402 1.481 . . . . 0.0 109.459 -172.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.62 140.72 15.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 169.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -115.09 134.14 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.343 1.457 . . . . 0.0 108.32 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -124.85 74.89 1.38 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.384 1.074 . . . . 0.0 108.953 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.15 154.67 41.93 Favored Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 125.235 1.414 . . . . 0.0 110.625 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.08 157.01 47.04 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.716 2.277 . . . . 0.0 110.535 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -70.2 -1.8 11.28 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.35 -22.62 61.88 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.967 0.907 . . . . 0.0 111.881 169.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.5 144.09 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.885 0.85 . . . . 0.0 111.67 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 142.89 27.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.837 0.855 . . . . 0.0 110.762 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -133.78 127.59 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.974 0.509 . . . . 0.0 110.521 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -153.47 166.45 32.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.022 0.929 . . . . 0.0 110.061 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -97.47 163.55 12.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 170.422 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.16 -32.46 71.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.083 0.953 . . . . 0.0 112.287 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.71 -13.91 60.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.161 0.984 . . . . 0.0 112.734 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.77 -26.99 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.977 1.311 . . . . 0.0 111.215 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.0 -30.95 71.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.282 -0.886 . . . . 0.0 110.582 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.06 -16.71 61.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.915 0.886 . . . . 0.0 111.898 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -78.55 -30.17 46.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.198 0.999 . . . . 0.0 111.255 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 74.1 mt -71.92 -53.05 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.976 0.911 . . . . 0.0 109.404 177.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.3 mm100 -77.18 5.15 8.88 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.917 0.887 . . . . 0.0 111.652 -175.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -10.92 51.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.506 0.723 . . . . 0.0 112.826 169.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.7 18.37 4.41 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.164 0.887 . . . . 0.0 113.287 174.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -123.07 172.17 8.74 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.579 1.152 . . . . 0.0 111.656 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.6 p -143.15 165.95 26.0 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.248 1.019 . . . . 0.0 110.605 173.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.43 152.43 94.66 Favored Pre-proline 0 N--CA 1.454 -0.268 0 C-N-CA 123.076 0.55 . . . . 0.0 111.534 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.26 164.47 35.64 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.291 2.661 . . . . 0.0 112.117 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.1 t70 . . . . . 0 N--CA 1.453 -0.297 0 C-N-CA 124.847 1.259 . . . . 0.0 112.579 -178.935 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 119.498 -0.287 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.34 121.65 43.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 168.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.4 mt -117.11 141.11 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -165.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -135.16 137.86 43.13 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.866 1.266 . . . . 0.0 110.941 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.557 HG23 ' HG2' ' A' ' 31' ' ' ARG . 95.8 m -119.62 106.53 12.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 108.963 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -123.8 173.05 8.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.626 1.57 . . . . 0.0 109.421 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 21.6 pttm -110.35 171.64 7.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.526 0.603 . . . . 0.0 112.59 175.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -63.01 136.5 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 121.248 0.547 . . . . 0.0 110.959 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.45 78.47 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.252 -0.749 . . . . 0.0 114.173 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.39 162.64 14.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.648 1.224 . . . . 0.0 111.912 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -130.43 152.76 49.48 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.455 0.702 . . . . 0.0 112.789 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.0 mt -141.02 157.21 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.866 1.666 . . . . 0.0 109.919 -173.522 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.92 145.24 41.84 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.61 0.764 . . . . 0.0 112.307 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 128.63 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.47 1.108 . . . . 0.0 109.618 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.07 52.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -126.53 4.35 6.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.495 0.718 . . . . 0.0 112.311 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -115.68 -14.08 11.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.866 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.09 135.58 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.141 0.882 . . . . 0.0 111.272 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.1 m -130.81 147.15 52.43 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.914 1.286 . . . . 0.0 109.739 171.235 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -127.2 143.23 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.731 1.612 . . . . 0.0 108.4 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -138.47 130.75 28.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.752 0.421 . . . . 0.0 109.905 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.65 106.12 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.11 -31.63 58.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.169 -0.332 . . . . 0.0 110.811 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.62 178.88 35.92 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.6 155.12 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -132.14 74.68 1.6 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.651 1.18 . . . . 0.0 108.52 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.74 -120.48 6.03 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.96 6.33 48.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.349 0.66 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -98.84 154.33 18.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.938 0.895 . . . . 0.0 109.759 170.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 t -139.23 115.12 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -170.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.36 115.2 21.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.492 1.117 . . . . 0.0 109.912 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.03 130.22 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.508 1.123 . . . . 0.0 109.581 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.9 139.28 14.48 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.6 mt -124.84 131.41 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.864 0.866 . . . . 0.0 108.908 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -131.05 82.5 2.05 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.454 -168.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.35 157.3 76.64 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.841 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.411 ' O ' HG22 ' B' ' 40' ' ' VAL . 35.7 Cg_endo -60.47 157.14 37.74 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.682 1.588 . . . . 0.0 110.168 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.54 -0.78 18.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 122.164 0.983 . . . . 0.0 111.895 173.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.83 -16.84 64.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.928 1.691 . . . . 0.0 111.414 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 37' ' ' PRO . 15.3 m -120.28 144.12 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.807 1.243 . . . . 0.0 109.644 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.64 27.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.406 0.622 . . . . 0.0 111.53 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 t -143.75 97.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.557 -166.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.518 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -145.82 165.5 28.69 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.213 1.005 . . . . 0.0 111.164 179.585 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 34.3 ptt-85 -70.39 160.62 31.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.387 0.275 . . . . 0.0 111.529 169.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -58.5 -40.13 81.99 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.851 -0.531 . . . . 0.0 112.331 -173.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.1 0.66 5.74 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -109.03 -50.69 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.426 1.09 . . . . 0.0 109.74 170.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -50.69 -37.25 40.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.009 1.324 . . . . 0.0 112.278 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.55 -19.61 63.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -175.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -82.68 -38.59 23.19 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.704 0.684 . . . . 0.0 110.842 169.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.401 ' HA ' HD12 ' B' ' 55' ' ' LEU . 97.8 mt -66.07 -38.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.302 0.641 . . . . 0.0 109.371 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.07 5.11 12.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 172.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -88.8 -9.37 52.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.59 41.29 0.17 Allowed Glycine 0 C--N 1.339 0.712 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.823 169.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -168.74 -175.09 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.078 0.939 . . . . 0.0 112.993 -168.28 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' THR . . . . . 0.439 HG22 ' H ' ' B' ' 57' ' ' ALA . 10.5 m -126.53 173.38 9.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.418 1.487 . . . . 0.0 108.318 167.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.439 ' H ' HG22 ' B' ' 56' ' ' THR . . . -35.86 124.39 0.67 Allowed Pre-proline 0 N--CA 1.454 -0.247 0 C-N-CA 124.761 1.224 . . . . 0.0 111.835 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -61.08 -178.76 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.693 2.929 . . . . 0.0 113.565 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 123.861 0.864 . . . . 0.0 112.909 -179.048 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.62 106.28 13.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 167.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.39 137.13 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 124.283 1.033 . . . . 0.0 109.743 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -133.11 140.06 47.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.613 1.165 . . . . 0.0 110.226 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -101.02 143.31 31.31 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -139.14 140.8 38.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.439 0.696 . . . . 0.0 110.271 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -76.13 157.24 33.03 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 168.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.2 134.68 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 O-C-N 121.375 -0.828 . . . . 0.0 111.538 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.5 -1.47 87.27 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.639 1.114 . . . . 0.0 113.854 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -86.26 173.17 9.93 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.211 1.506 . . . . 0.0 111.774 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -135.15 157.24 47.43 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -166.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -138.38 157.17 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 127.391 2.277 . . . . 0.0 109.074 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -130.92 146.65 52.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 125.209 1.404 . . . . 0.0 111.41 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -135.17 132.7 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.111 0.964 . . . . 0.0 109.814 174.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -134.44 51.32 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -130.07 10.12 5.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.006 0.922 . . . . 0.0 111.843 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -123.9 -9.9 7.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.432 1.093 . . . . 0.0 113.064 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.39 138.0 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.909 0.777 . . . . 0.0 110.909 -172.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 14.7 m -132.84 147.0 52.3 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.269 1.027 . . . . 0.0 109.656 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -129.22 140.74 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.094 1.358 . . . . 0.0 108.857 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -133.69 132.43 40.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.939 0.496 . . . . 0.0 110.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.404 HD11 HG13 ' C' ' 30' ' ' VAL . 0.1 OUTLIER -92.69 112.51 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 169.321 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.504 HD13 " H1'" ' G' ' 67' ' ' ' C' . 7.5 mt -84.67 -43.8 14.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.683 -0.636 . . . . 0.0 110.321 -170.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.05 -177.63 47.72 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.443 -0.408 . . . . 0.0 113.242 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.96 150.58 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 123.159 0.583 . . . . 0.0 111.079 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -140.53 106.64 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.83 1.252 . . . . 0.0 108.078 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -119.89 15.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -169.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -97.87 -7.29 30.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.789 0.835 . . . . 0.0 113.004 171.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -74.57 151.76 39.38 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.695 0.759 . . . . 0.0 110.926 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.404 HG13 HD11 ' C' ' 22' ' ' ILE . 38.6 t -133.64 114.36 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -77.82 112.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -117.14 132.44 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 125.141 1.376 . . . . 0.0 109.097 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.21 142.25 15.54 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 124.353 0.978 . . . . 0.0 112.253 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 1' ' ' MET . 72.7 mt -126.2 126.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 108.862 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -120.29 101.58 7.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.402 0.681 . . . . 0.0 110.039 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.86 156.98 72.47 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.979 0.911 . . . . 0.0 110.665 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.83 153.97 72.47 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.105 2.537 . . . . 0.0 111.51 172.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -67.47 -0.69 3.95 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.71 -21.64 66.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.19 0.996 . . . . 0.0 111.258 168.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -126.25 147.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.449 1.099 . . . . 0.0 110.496 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.28 19.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.036 -0.415 . . . . 0.0 111.243 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -135.69 131.82 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.006 0.523 . . . . 0.0 109.79 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -153.34 157.13 39.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.532 0.733 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -66.26 152.9 43.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.22 -27.71 69.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.23 0.923 . . . . 0.0 111.629 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.76 -26.22 66.01 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.849 0.86 . . . . 0.0 113.217 173.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.55 -29.69 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.116 0.966 . . . . 0.0 110.638 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.14 -41.94 80.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.187 -0.946 . . . . 0.0 111.124 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.07 -25.54 67.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.319 0.648 . . . . 0.0 112.473 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.64 -38.68 62.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.567 0.747 . . . . 0.0 111.565 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' C' ' 55' ' ' LEU . 2.5 mp -65.14 -23.33 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 118.565 0.621 . . . . 0.0 110.395 172.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -87.76 -5.01 58.85 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.36 -13.05 30.77 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.858 0.863 . . . . 0.0 112.52 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.03 139.71 7.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.025 0.821 . . . . 0.0 111.779 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' C' ' 51' ' ' ILE . 0.0 OUTLIER -151.87 14.84 0.64 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.908 0.883 . . . . 0.0 112.48 -169.6 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 10.8 m -61.9 -25.79 67.78 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.493 0.717 . . . . 0.0 111.396 -176.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.32 93.58 47.31 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 124.62 1.168 . . . . 0.0 108.396 167.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.99 -37.0 99.52 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.23 2.62 . . . . 0.0 113.11 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 123.93 0.892 . . . . 0.0 110.781 -174.756 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.604 ' HG2' HD11 ' D' ' 3' ' ' ILE 0.292 4.0 tpp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 2' ' ' LEU . . . . . 0.432 HD21 " H1'" ' G' ' 64' ' ' ' G' . 2.9 tm? -125.47 104.69 8.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.587 2.355 . . . . 0.0 107.905 169.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.604 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -94.51 143.82 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.532 1.533 . . . . 0.0 110.268 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.72 164.44 29.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.707 1.603 . . . . 0.0 111.593 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.16 114.77 24.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.884 0.873 . . . . 0.0 108.857 165.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.499 ' HG3' HD11 ' D' ' 12' ' ' ILE . 1.0 OUTLIER -118.67 144.08 46.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.599 0.36 . . . . 0.0 110.218 169.434 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -91.22 164.88 13.73 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 123.032 0.207 . . . . 0.0 111.125 173.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -55.51 140.86 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.067 0.46 . . . . 0.0 111.765 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 -1.16 89.06 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.134 0.873 . . . . 0.0 114.067 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -90.59 171.26 9.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.756 1.278 . . . . 0.0 112.494 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -137.08 161.01 37.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.717 0.807 . . . . 0.0 112.46 -169.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' D' ' 6' ' ' ARG . 12.3 mt -152.41 157.83 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 C-N-CA 127.29 2.236 . . . . 0.0 108.635 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -134.39 149.26 50.79 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.904 1.282 . . . . 0.0 111.485 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -134.22 137.55 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.168 1.387 . . . . 0.0 108.927 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -134.78 52.23 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -125.12 4.74 7.88 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.735 0.814 . . . . 0.0 112.053 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.78 -5.02 2.48 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -172.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.47 136.28 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 118.803 0.729 . . . . 0.0 110.427 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 28.9 m -129.75 143.17 50.69 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.531 1.133 . . . . 0.0 109.598 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 mm -126.48 140.33 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.65 1.18 . . . . 0.0 108.612 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -133.45 130.97 39.36 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.627 0.771 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.27 106.03 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.37 -30.56 47.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.366 0.667 . . . . 0.0 110.623 -171.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -179.23 40.13 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 112.616 -0.194 . . . . 0.0 112.616 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -108.03 159.8 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.027 0.442 . . . . 0.0 110.353 168.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -141.13 79.7 1.7 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.503 1.121 . . . . 0.0 108.581 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -111.76 3.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -96.78 -9.57 28.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.01 0.924 . . . . 0.0 110.934 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -83.76 153.52 24.08 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.813 0.816 . . . . 0.0 111.405 169.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.33 120.22 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -94.35 110.32 22.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.221 1.008 . . . . 0.0 108.732 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.28 127.25 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.79 0.836 . . . . 0.0 109.699 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.81 134.7 12.31 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.74 142.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.763 0.825 . . . . 0.0 108.883 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -138.03 106.44 5.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.462 0.705 . . . . 0.0 109.351 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.58 156.43 74.81 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 124.402 1.081 . . . . 0.0 109.623 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.25 151.38 82.6 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.242 1.961 . . . . 0.0 110.757 170.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -70.16 -1.04 8.96 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.9 -20.72 65.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.873 1.269 . . . . 0.0 111.467 168.342 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -127.02 160.02 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.633 1.173 . . . . 0.0 110.705 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.13 16.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.93 126.37 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 O-C-N 121.878 -0.514 . . . . 0.0 109.912 168.453 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -149.57 166.44 29.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.853 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.85 158.75 24.27 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.71 -34.74 73.3 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.914 0.779 . . . . 0.0 110.718 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -48.05 -39.8 21.1 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 125.335 1.454 . . . . 0.0 112.555 170.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -98.5 -36.06 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.775 1.23 . . . . 0.0 110.538 -169.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.76 -40.51 75.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.167 0.587 . . . . 0.0 110.638 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.1 -20.98 66.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.947 0.899 . . . . 0.0 112.664 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.517 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 6.7 mtt180 -83.8 -39.49 19.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.414 1.086 . . . . 0.0 112.039 170.115 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 87.9 mt -73.72 -37.95 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -80.25 2.09 25.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.818 0.847 . . . . 0.0 111.167 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -73.8 -10.9 60.14 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.934 0.894 . . . . 0.0 112.39 173.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.53 30.46 0.55 Allowed Glycine 0 C--N 1.338 0.683 0 CA-C-O 119.038 -0.868 . . . . 0.0 114.389 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -156.67 -173.62 4.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.833 1.317 . . . . 0.0 113.662 -167.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 29.4 m -132.11 159.02 40.11 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.875 1.67 . . . . 0.0 107.348 167.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.12 133.2 12.25 Favored Pre-proline 0 N--CA 1.454 -0.252 0 CA-C-N 118.122 0.419 . . . . 0.0 111.916 -169.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -55.47 170.38 0.87 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.891 3.061 . . . . 0.0 114.251 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 124.197 0.999 . . . . 0.0 113.051 -172.721 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 119.421 -0.323 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.94 136.24 53.11 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.214 0.606 . . . . 0.0 110.566 176.415 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mm -115.66 125.21 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.484 1.114 . . . . 0.0 109.12 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.39 155.37 33.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.886 1.674 . . . . 0.0 110.097 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -136.12 112.12 9.62 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 165.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -132.53 141.28 48.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.464 1.106 . . . . 0.0 110.292 -170.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -89.38 172.05 9.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -60.7 139.27 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.016 0.436 . . . . 0.0 111.845 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.6 -3.01 87.4 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.155 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -83.96 171.69 12.77 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.9 1.35 . . . . 0.0 111.728 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.92 156.67 47.63 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.755 0.822 . . . . 0.0 112.219 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -141.95 156.39 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 125.998 1.719 . . . . 0.0 108.265 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -136.33 149.73 48.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.322 -0.861 . . . . 0.0 112.919 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.8 mt -136.84 141.03 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.668 1.187 . . . . 0.0 109.007 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -138.54 48.13 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -126.5 10.06 7.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.311 173.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -133.56 -5.39 2.9 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.84 135.77 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.375 0.988 . . . . 0.0 110.933 -173.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -128.3 146.4 50.77 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.38 1.072 . . . . 0.0 110.384 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -126.45 140.52 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.919 1.688 . . . . 0.0 108.22 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 42.1 m -136.6 132.28 34.9 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.133 0.573 . . . . 0.0 109.951 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -86.14 109.91 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.32 -28.26 47.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.921 0.489 . . . . 0.0 110.862 -175.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.05 -172.89 33.39 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 123.405 0.526 . . . . 0.0 113.463 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -119.94 158.83 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 123.617 0.767 . . . . 0.0 112.05 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.1 p -148.47 89.98 1.75 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.94 1.296 . . . . 0.0 109.409 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.32 -112.04 3.97 Favored Glycine 0 CA--C 1.525 0.712 0 O-C-N 121.48 -0.763 . . . . 0.0 111.63 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -93.7 -19.25 21.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.676 0.738 . . . . 0.0 111.636 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.31 146.23 47.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.457 0.646 . . . . 0.0 110.197 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.63 115.23 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -85.96 124.26 32.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -131.0 135.88 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.609 0.764 . . . . 0.0 110.255 -168.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.09 146.15 16.03 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.675 1.131 . . . . 0.0 111.729 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.2 mt -136.59 134.89 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.211 1.404 . . . . 0.0 108.834 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -135.64 101.16 4.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -173.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.98 155.63 76.19 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.773 1.229 . . . . 0.0 110.407 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.92 158.53 42.62 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.934 2.422 . . . . 0.0 111.901 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -73.8 -0.95 17.35 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 172.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.82 -19.52 65.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.561 1.145 . . . . 0.0 111.702 168.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.48 161.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.352 1.061 . . . . 0.0 110.736 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.18 157.36 15.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 42' ' ' VAL . . . . . 0.415 HG13 HD12 ' F' ' 2' ' ' LEU . 0.3 OUTLIER -154.95 126.96 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 110.474 169.38 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -151.49 175.48 12.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.421 1.088 . . . . 0.0 110.212 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -72.9 162.91 28.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.882 -0.511 . . . . 0.0 110.218 169.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -63.84 -22.46 66.93 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.532 0.333 . . . . 0.0 111.526 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.24 -40.37 77.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.971 1.309 . . . . 0.0 111.417 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.05 -33.69 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.674 0.789 . . . . 0.0 110.218 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -53.91 -38.17 64.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.057 0.943 . . . . 0.0 112.288 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.11 -21.87 64.12 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.043 0.937 . . . . 0.0 112.892 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -83.74 -46.07 12.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.38 -22.97 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.828 0.851 . . . . 0.0 111.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -85.4 -32.5 22.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 167.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.95 -25.4 10.75 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -167.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 54' ' ' GLY . . . . . 0.441 ' C ' HD22 ' E' ' 55' ' ' LEU . . . -144.02 -11.13 0.35 Allowed Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.729 1.157 . . . . 0.0 112.633 -171.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.441 HD22 ' C ' ' E' ' 54' ' ' GLY . 0.3 OUTLIER 61.39 -173.33 0.14 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 128.492 2.717 . . . . 0.0 112.887 169.487 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -79.76 -13.57 59.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -174.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.12 131.06 10.33 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.226 1.01 . . . . 0.0 109.938 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -63.88 177.78 1.71 Allowed 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 123.32 2.68 . . . . 0.0 113.971 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t0 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.012 0.925 . . . . 0.0 111.831 171.378 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 111.06 0.022 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 2' ' ' LEU . . . . . 0.416 ' CD2' " H1'" ' G' ' 39' ' ' ' G' . 6.9 mt -98.15 148.23 23.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 111.547 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.57 138.46 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.593 0.757 . . . . 0.0 109.417 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.57 165.02 26.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.872 1.269 . . . . 0.0 110.296 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.16 102.94 7.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 168.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.421 ' CZ ' ' HA ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -108.3 134.82 50.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 125.387 1.475 . . . . 0.0 110.943 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.51 165.91 11.77 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 119.438 1.017 . . . . 0.0 113.571 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.1 m -57.36 136.27 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.508 -170.03 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.15 78.82 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.247 0.927 . . . . 0.0 113.795 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.6 168.33 9.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.667 1.233 . . . . 0.0 111.621 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.3 m -132.74 159.61 39.2 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 59.0 mt -138.56 159.06 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 127.24 2.216 . . . . 0.0 107.752 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -135.14 152.11 51.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.266 -0.896 . . . . 0.0 112.66 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.9 mt -137.12 143.51 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.694 1.198 . . . . 0.0 108.891 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.96 -136.36 51.3 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -125.63 10.04 7.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.283 1.033 . . . . 0.0 111.778 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.83 -9.69 1.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.21 136.25 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.019 0.827 . . . . 0.0 110.561 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -128.72 142.2 51.08 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.482 1.113 . . . . 0.0 110.229 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -124.07 142.94 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.613 1.565 . . . . 0.0 108.285 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 28.9 m -139.1 131.44 28.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.014 0.526 . . . . 0.0 110.084 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.9 115.69 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -88.55 -28.0 21.03 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 121.689 -0.632 . . . . 0.0 111.431 -171.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.78 -178.44 34.08 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 123.262 0.458 . . . . 0.0 113.251 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.9 157.34 35.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 CA-C-N 117.273 0.536 . . . . 0.0 112.136 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -150.04 100.75 2.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.565 1.146 . . . . 0.0 109.379 169.402 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.77 -108.01 2.36 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.871 -0.518 . . . . 0.0 111.888 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 13.1 mm100 -101.24 -18.75 15.99 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.426 0.613 . . . . 0.0 111.84 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -72.16 144.12 48.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.561 0.696 . . . . 0.0 110.289 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.85 116.75 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -86.95 129.67 34.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.622 0.769 . . . . 0.0 109.299 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.61 146.82 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.576 1.15 . . . . 0.0 110.322 -167.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.91 140.91 15.53 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.467 1.032 . . . . 0.0 111.22 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.17 133.06 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.303 1.041 . . . . 0.0 109.238 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -134.98 105.79 6.53 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.307 0.643 . . . . 0.0 109.661 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.39 158.49 75.08 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.06 0.944 . . . . 0.0 111.448 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -64.99 162.37 32.82 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.031 2.487 . . . . 0.0 112.459 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.05 -4.67 26.21 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.493 0.717 . . . . 0.0 112.61 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.55 -18.12 63.63 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.867 1.267 . . . . 0.0 112.514 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.03 168.01 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.986 0.914 . . . . 0.0 111.275 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.57 162.59 12.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.628 0.771 . . . . 0.0 111.885 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.01 117.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.639 0.776 . . . . 0.0 110.561 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -154.46 173.58 16.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.91 0.884 . . . . 0.0 110.548 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -79.81 164.11 23.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.836 -0.54 . . . . 0.0 110.281 168.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.05 0.54 . . . . 0.0 112.366 -172.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.24 -45.56 90.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.018 0.927 . . . . 0.0 111.44 174.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.45 -28.72 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.616 0.766 . . . . 0.0 110.009 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.52 -37.69 58.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.868 0.867 . . . . 0.0 112.326 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -60.94 -25.26 66.67 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.666 1.186 . . . . 0.0 113.079 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -75.15 -22.43 58.14 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 127.122 2.169 . . . . 0.0 112.548 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 16.5 mt -94.12 -63.0 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.625 1.17 . . . . 0.0 113.418 -168.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.71 2.95 27.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -168.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 3.99 3.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.84 37.94 3.78 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 123.988 0.804 . . . . 0.0 111.791 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.04 -45.92 1.02 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.555 0.742 . . . . 0.0 112.994 -166.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m 45.08 55.3 6.34 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 126.027 1.731 . . . . 0.0 112.58 -170.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.55 88.02 0.13 Allowed Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.518 1.527 . . . . 0.0 112.376 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.66 170.76 4.11 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.292 2.661 . . . . 0.0 114.158 -171.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 124.592 1.157 . . . . 0.0 112.796 178.665 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O4'-C1'-N19 112.07 3.87 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.614 3.414 . 0.329 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.708 4.508 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.805 3.605 . 0.213 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.426 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.442 0 C3'-C2'-C1' 104.695 3.55 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.426 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.131 2 C5'-C4'-C3' 107.964 -5.024 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 O4'-C1'-N19 112.327 4.127 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C5'-C4'-C3' 111.518 -2.655 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 O5'-C5'-C4' 113.588 2.42 . 0.017 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C3'-C2'-C1' 104.637 3.486 . 0.26 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 O4'-C1'-N19 111.344 3.144 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-C3' 112.075 -2.284 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 1 C5'-C4'-C3' 108.667 -4.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C4'-C3'-C2' 100.429 -2.271 . 0.472 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 111.591 3.391 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.588 3.388 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C5'-C4'-C3' 109.552 -3.966 . 0.851 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C5'-C4'-C3' 111.091 -2.939 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 3 C5'-C4'-O4' 116.658 5.327 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 2 O4'-C1'-N19 113.66 5.46 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 O4'-C1'-N19 112.576 4.376 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 O4'-C1'-N19 110.97 2.77 . 0.118 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 1 O4'-C1'-N19 112.641 4.441 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 O4'-C1'-N19 112.147 3.947 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 N19-C1'-C2' 108.821 -2.862 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 O4'-C1'-N19 111.106 2.906 . 0.488 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.518 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C5'-C4'-C3' 112.142 -2.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.35 0 C5'-C4'-C3' 112.357 -2.095 . 0.036 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C5'-C4'-C3' 111.07 -2.953 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.85 3.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C4'-C3'-C2' 100.296 -2.404 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 O4'-C1'-N19 111.405 3.205 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 112.261 4.061 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 99.296 -3.404 . 0.53 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 99.414 -3.286 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 111.433 3.233 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.348 3.148 . 0.262 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 O4'-C1'-N19 110.942 2.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . 0.416 " H1'" ' CD2' ' F' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.145 2.939 . 0.129 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O4'-C1'-N19 112.697 4.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.462 1 C5'-C4'-C3' 108.784 -4.477 . 0.038 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 O4'-C1'-N19 111.589 3.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 O4'-C1'-N19 111.931 3.731 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 1 O4'-C1'-N19 113.122 4.922 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 2 O4'-C1'-N19 112.717 4.517 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 O4'-C1'-N19 111.22 3.02 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 1 O4'-C1'-N19 112.242 4.042 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C3'-C2'-C1' 104.319 3.132 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C3'-C2'-C1' 104.091 2.879 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.256 -2.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.38 0 C5'-C4'-C3' 111.786 -2.476 . 0.449 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O5'-C5'-C4' 117.74 5.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 110.254 2.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.223 4.023 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C4'-C3'-C2' 100.03 -2.67 . 0.465 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.465 3.265 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.348 0 O4'-C1'-N19 111.291 3.091 . 0.25 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 111.619 3.419 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 112.044 3.844 . 0.117 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.517 3.317 . 0.347 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 112.347 4.147 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 O4'-C1'-N19 111.534 3.334 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.471 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C5'-C4'-C3' 109.555 -3.963 . 0.639 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.471 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 99.382 -3.318 . 0.104 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.183 2.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.558 0 C5'-C4'-C3' 111.377 -2.749 . 0.153 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.504 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.245 1 C3'-C2'-C1' 97.119 -4.867 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 110.389 -3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-O4' 112.846 2.604 . 0.922 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 O4'-C1'-N19 112.207 4.007 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C4'-C3'-C2' 99.974 -2.726 . 0.309 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.067 2.867 . 0.616 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 119.16 -0.448 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.47 112.81 24.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.751 0.82 . . . . 0.0 109.781 -175.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.01 136.5 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.794 0.838 . . . . 0.0 109.484 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt -132.23 161.11 34.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.303 1.041 . . . . 0.0 110.101 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.0 m -124.64 100.93 6.87 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.131 0.972 . . . . 0.0 108.484 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -113.39 135.14 54.19 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.592 0.757 . . . . 0.0 109.999 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -98.43 159.08 15.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.298 0.499 . . . . 0.0 110.172 -176.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.44 HG13 ' HA2' ' A' ' 24' ' ' GLY . 68.5 t -46.98 129.83 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.58 0.752 . . . . 0.0 111.044 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.13 3.94 67.19 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.034 0.826 . . . . 0.0 114.185 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -111.74 169.38 8.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.346 1.073 . . . . 0.0 111.097 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 m -134.6 152.97 52.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 8.0 mm -113.36 155.61 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 125.955 1.702 . . . . 0.0 110.058 169.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -129.25 138.56 51.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.258 1.023 . . . . 0.0 110.706 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -133.01 130.36 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.089 0.956 . . . . 0.0 109.675 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.59 -130.02 28.28 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.07 -2.61 7.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.926 0.89 . . . . 0.0 112.46 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.34 -21.47 2.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -169.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.18 137.48 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 118.817 0.735 . . . . 0.0 110.342 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -136.64 144.73 44.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.692 0.797 . . . . 0.0 109.396 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -127.63 140.12 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.419 1.087 . . . . 0.0 108.307 -176.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -135.6 134.12 38.98 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.543 0.61 . . . . 0.0 110.402 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -84.78 97.42 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -23.91 61.6 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.94 -0.475 . . . . 0.0 110.351 -176.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 167.77 -173.33 42.74 Favored Glycine 0 C--N 1.339 0.699 0 CA-C-N 118.336 0.516 . . . . 0.0 113.785 168.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.67 157.99 43.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 123.866 0.866 . . . . 0.0 112.067 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -145.3 62.14 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.566 1.546 . . . . 0.0 110.033 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.88 -117.69 5.78 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.85 -15.0 62.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.271 0.628 . . . . 0.0 111.104 173.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -98.92 153.76 18.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.346 0.593 . . . . 0.0 111.957 -176.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -139.49 117.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.467 1.507 . . . . 0.0 109.053 -168.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.16 101.9 13.92 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 121.947 -0.471 . . . . 0.0 110.54 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.9 mt -109.41 132.11 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.721 1.208 . . . . 0.0 109.694 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 137.03 13.51 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.931 0.776 . . . . 0.0 111.327 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.0 mt -109.93 131.0 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.164 1.385 . . . . 0.0 108.47 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -118.8 74.92 0.99 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.644 1.177 . . . . 0.0 109.506 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.41 152.83 44.18 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.74 171.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.6 155.79 49.69 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.569 2.179 . . . . 0.0 110.555 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -69.58 -3.9 16.88 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.04 -23.82 64.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.773 0.829 . . . . 0.0 111.768 169.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -116.1 144.02 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 122.074 0.94 . . . . 0.0 111.688 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.11 142.63 32.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.0 0.92 . . . . 0.0 110.591 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 m -134.2 130.8 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.734 0.414 . . . . 0.0 110.295 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -151.95 160.63 43.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.585 0.754 . . . . 0.0 110.885 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 164.73 15.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.231 168.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.95 -26.87 66.17 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -167.254 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -75.75 -1.74 26.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.712 -0.617 . . . . 0.0 111.747 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.92 -33.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.121 0.968 . . . . 0.0 111.596 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -59.46 -33.35 71.18 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.37 0.986 . . . . 0.0 110.664 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.64 -13.5 59.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.516 0.726 . . . . 0.0 112.156 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -79.63 -34.04 40.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.77 0.828 . . . . 0.0 111.098 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.432 HG22 ' OE1' ' A' ' 52' ' ' GLN . 50.6 mt -65.48 -50.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 0.0 109.05 172.463 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.432 ' OE1' HG22 ' A' ' 51' ' ' ILE . 21.6 mm100 -84.05 5.12 27.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.405 0.682 . . . . 0.0 112.108 -174.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.22 68.24 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.492 0.317 . . . . 0.0 111.046 168.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.51 11.6 0.04 OUTLIER Glycine 0 CA--C 1.524 0.617 0 CA-C-O 119.264 -0.742 . . . . 0.0 113.707 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 56' ' ' THR . 22.5 mt -88.28 90.68 8.49 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.803 1.302 . . . . 0.0 108.744 -171.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 55' ' ' LEU . 3.1 p 179.91 -46.38 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 126.421 1.888 . . . . 0.0 108.132 -169.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.8 158.88 44.32 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 125.403 1.481 . . . . 0.0 111.594 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.57 155.46 59.23 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.344 2.696 . . . . 0.0 111.694 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 124.42 1.088 . . . . 0.0 111.868 170.167 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.92 116.56 32.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.62 140.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.989 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt -135.61 136.11 40.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.383 1.073 . . . . 0.0 109.058 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.3 m -98.04 100.71 12.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.415 ' HE ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 tpm_? -95.95 172.99 7.66 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.604 1.561 . . . . 0.0 108.734 -168.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -127.27 160.69 30.54 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.425 1.011 . . . . 0.0 111.405 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -58.61 129.47 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 121.59 0.709 . . . . 0.0 111.307 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.28 -7.28 66.46 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-N 115.054 -0.976 . . . . 0.0 114.508 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' GLU . . . . . 0.415 ' CD ' ' HE ' ' B' ' 6' ' ' ARG . 29.9 mt-10 -79.86 166.08 22.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.81 1.305 . . . . 0.0 111.26 169.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -131.7 157.71 43.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.799 0.839 . . . . 0.0 112.114 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 mt -134.04 155.57 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 126.168 1.787 . . . . 0.0 108.712 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -138.31 140.25 39.47 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.689 0.795 . . . . 0.0 110.403 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.5 mt -134.16 127.99 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.162 0.985 . . . . 0.0 109.605 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -132.37 52.49 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.19 5.06 5.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.7 0.8 . . . . 0.0 112.917 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -116.98 -19.32 9.84 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.86 137.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 119.135 0.879 . . . . 0.0 111.345 -169.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.17 150.9 51.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.834 1.254 . . . . 0.0 109.763 169.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -130.59 144.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.177 1.791 . . . . 0.0 107.923 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -135.58 130.38 34.38 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.73 0.412 . . . . 0.0 110.009 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.29 92.21 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.11 -33.66 76.55 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.019 -0.425 . . . . 0.0 111.085 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.76 -178.42 39.24 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 112.338 -0.305 . . . . 0.0 112.338 171.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.22 146.96 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.114 0.483 . . . . 0.0 109.796 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -122.75 77.68 1.46 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 170.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -119.69 4.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.67 10.01 41.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.228 -0.572 . . . . 0.0 111.057 172.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.97 154.1 18.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.954 0.902 . . . . 0.0 109.966 170.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.12 113.65 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -170.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -86.03 118.34 25.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.861 1.264 . . . . 0.0 109.492 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -128.63 129.37 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.245 1.018 . . . . 0.0 109.533 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.09 137.92 13.78 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -120.93 129.97 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.909 0.861 . . . . 0.0 109.242 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -130.29 75.0 1.63 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.393 -168.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.22 157.99 54.24 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.679 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.1 157.29 40.09 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.06 1.84 . . . . 0.0 111.373 169.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -68.68 -0.83 5.73 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.19 0.996 . . . . 0.0 112.178 169.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.89 -28.49 68.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.512 1.525 . . . . 0.0 111.32 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.3 144.19 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.527 1.131 . . . . 0.0 109.997 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 142.17 29.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 111.258 169.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.52 98.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.639 -166.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.64 158.2 43.88 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.267 0.556 . . . . 0.0 111.845 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 4.9 ptt85 -64.66 154.52 36.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.339 0.656 . . . . 0.0 111.617 169.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -55.42 -41.77 73.24 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.25 0.62 . . . . 0.0 112.232 -171.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.86 -23.58 63.53 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -89.32 -50.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.175 0.99 . . . . 0.0 110.501 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.21 -35.98 39.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.857 1.263 . . . . 0.0 112.175 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.33 -22.61 62.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.4 mpt_? -77.76 -41.37 37.77 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 119.175 0.898 . . . . 0.0 109.957 169.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.41 -39.85 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.348 0.659 . . . . 0.0 109.314 -173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -80.59 4.74 17.54 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 174.129 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.07 -19.3 47.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.118 0.567 . . . . 0.0 111.539 168.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.33 48.55 0.09 OUTLIER Glycine 0 CA--C 1.526 0.724 0 C-N-CA 123.469 0.557 . . . . 0.0 113.851 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.8 -176.42 2.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.674 0.737 . . . . 0.0 112.518 -168.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.5 p -128.46 -178.23 4.49 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.157 1.383 . . . . 0.0 109.829 168.307 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.92 120.99 2.33 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -52.25 -46.54 32.1 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.757 2.971 . . . . 0.0 113.341 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.451 -0.421 0 C-N-CA 123.903 0.881 . . . . 0.0 110.408 -173.12 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.42 109.42 21.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -175.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.3 129.01 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.27 134.95 55.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.423 0.689 . . . . 0.0 109.257 168.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.4 p -87.0 143.64 27.25 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 168.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.11 133.02 20.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -77.45 150.14 35.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.619 1.168 . . . . 0.0 109.734 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.87 137.69 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 O-C-N 121.922 -0.486 . . . . 0.0 111.913 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.27 -4.03 76.8 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 124.539 1.066 . . . . 0.0 114.039 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -99.48 170.18 8.8 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.118 1.459 . . . . 0.0 112.35 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -124.2 159.29 30.45 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.44 154.74 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 127.592 2.357 . . . . 0.0 108.157 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -128.02 149.12 50.51 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.159 -0.963 . . . . 0.0 111.612 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.21 131.33 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.627 1.171 . . . . 0.0 109.295 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -137.62 49.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.46 9.97 7.25 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.392 170.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -121.29 -13.42 8.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.046 0.938 . . . . 0.0 113.301 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.27 133.21 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.824 0.738 . . . . 0.0 110.88 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -120.16 142.89 48.55 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.916 0.886 . . . . 0.0 109.758 172.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 mm -120.31 140.96 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.034 1.334 . . . . 0.0 108.38 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.98 129.27 25.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.723 -0.611 . . . . 0.0 110.74 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -83.23 104.77 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -83.89 -33.42 24.77 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.878 -0.513 . . . . 0.0 109.898 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.97 -170.86 42.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 113.758 0.263 . . . . 0.0 113.758 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.58 153.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.643 0.777 . . . . 0.0 110.807 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -140.79 97.45 3.2 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.562 1.145 . . . . 0.0 108.294 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.94 -119.14 12.63 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -169.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.4 -4.15 38.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.13 0.972 . . . . 0.0 112.327 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -81.66 152.89 26.9 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.158 0.504 . . . . 0.0 110.063 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -130.24 120.63 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -78.21 110.61 13.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mt -114.53 131.83 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.848 1.259 . . . . 0.0 109.386 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.88 141.48 15.23 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.645 1.116 . . . . 0.0 112.092 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 mt -133.65 119.89 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.964 1.306 . . . . 0.0 107.836 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -125.96 99.05 5.76 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.156 -0.34 . . . . 0.0 110.335 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.54 158.43 53.91 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.012 . . . . 0.0 110.638 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.65 152.38 78.3 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.007 2.471 . . . . 0.0 111.529 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.63 -0.88 2.28 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 172.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.07 -22.91 66.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.255 1.022 . . . . 0.0 111.342 169.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.47 144.21 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 110.172 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.612 0.365 . . . . 0.0 110.989 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 m -136.72 133.67 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.823 0.449 . . . . 0.0 110.012 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -156.26 163.4 39.6 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.437 0.695 . . . . 0.0 111.497 -174.246 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -80.01 162.67 24.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 165.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.58 -32.28 72.37 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.31 -46.53 85.97 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.704 0.802 . . . . 0.0 111.551 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -84.84 -31.78 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.061 0.544 . . . . 0.0 110.478 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.57 -39.74 61.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 112.281 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -58.52 -31.89 68.34 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.829 0.852 . . . . 0.0 112.284 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -70.23 -38.32 75.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.937 0.495 . . . . 0.0 111.486 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.612 ' HA ' HD11 ' C' ' 55' ' ' LEU . 3.3 mp -68.13 -18.94 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 118.583 0.629 . . . . 0.0 110.699 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -92.16 2.03 56.85 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.189 0.596 . . . . 0.0 112.522 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.44 4.06 33.32 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.897 0.879 . . . . 0.0 112.945 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.97 55.36 0.57 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.092 0.853 . . . . 0.0 113.249 169.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' C' ' 51' ' ' ILE . 4.3 pp -165.66 174.61 9.61 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.102 0.961 . . . . 0.0 111.515 -169.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -133.44 2.18 3.5 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.65 134.08 23.54 Favored Pre-proline 0 N--CA 1.454 -0.237 0 C-N-CA 123.765 0.826 . . . . 0.0 111.18 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.5 170.04 5.97 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.155 2.57 . . . . 0.0 114.07 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 123.913 0.885 . . . . 0.0 112.609 -176.518 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttp . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.781 -0.152 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.95 120.56 38.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.19 1.796 . . . . 0.0 108.216 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.14 134.09 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.85 0.86 . . . . 0.0 109.467 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.34 163.04 29.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.009 1.324 . . . . 0.0 111.243 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 113.87 27.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 164.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.77 128.94 56.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.718 0.807 . . . . 0.0 109.723 175.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.28 156.69 33.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.723 0.692 . . . . 0.0 110.625 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.822 HG11 HG12 ' D' ' 25' ' ' VAL . 15.7 m -54.0 135.09 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.558 -0.747 . . . . 0.0 112.026 169.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 -3.23 76.17 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.398 0.999 . . . . 0.0 114.083 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -98.22 179.78 4.63 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.875 1.338 . . . . 0.0 111.928 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.6 m -136.19 155.52 50.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.553 0.741 . . . . 0.0 112.898 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mt -136.96 160.23 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 126.903 2.081 . . . . 0.0 108.7 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 40.5 m-80 -136.98 149.74 47.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.853 0.861 . . . . 0.0 111.992 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -135.51 135.53 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.929 1.292 . . . . 0.0 109.042 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.31 -138.35 49.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.59 8.66 9.53 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.731 0.812 . . . . 0.0 111.794 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -129.86 -11.98 4.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.22 136.47 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.931 0.787 . . . . 0.0 110.747 -172.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -121.07 148.11 44.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.386 1.074 . . . . 0.0 109.987 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -128.31 143.3 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.913 1.685 . . . . 0.0 107.717 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -139.19 127.14 22.25 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 121.778 -0.576 . . . . 0.0 109.898 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -88.52 86.57 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.99 -34.68 78.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.899 -0.5 . . . . 0.0 111.73 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -170.37 42.92 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.941 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.822 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -140.54 131.4 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.515 1.126 . . . . 0.0 110.413 -169.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -136.94 87.7 2.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.352 1.461 . . . . 0.0 108.959 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -122.64 14.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.93 -15.94 33.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 111.108 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.72 151.08 24.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.6 0.714 . . . . 0.0 112.013 176.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.87 126.52 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -169.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -84.27 116.9 23.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.867 0.467 . . . . 0.0 110.024 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -122.57 115.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.003 0.921 . . . . 0.0 109.333 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.69 143.44 22.45 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.941 1.258 . . . . 0.0 110.96 171.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.29 138.99 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -136.42 89.94 2.51 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.14 154.77 74.27 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 109.367 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.49 150.19 86.33 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.979 1.786 . . . . 0.0 110.559 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.88 -1.04 6.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.92 -22.93 65.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.824 1.25 . . . . 0.0 111.389 168.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.67 159.99 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.138 0.975 . . . . 0.0 110.708 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.09 157.04 16.62 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.331 0.652 . . . . 0.0 112.175 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.29 125.87 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.813 0.445 . . . . 0.0 110.056 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -152.78 167.07 30.23 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.615 0.766 . . . . 0.0 111.666 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 mpp_? -63.21 159.96 16.62 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 167.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -62.6 -33.27 74.66 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.569 -0.707 . . . . 0.0 111.499 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -52.08 -43.1 63.71 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.564 1.146 . . . . 0.0 111.871 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -89.86 -38.73 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 124.116 0.966 . . . . 0.0 111.029 -169.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -45.52 -39.76 7.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.805 1.242 . . . . 0.0 112.106 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -60.75 -27.89 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.791 1.236 . . . . 0.0 113.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.01 -47.39 37.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.83 0.741 . . . . 0.0 109.76 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.532 HD12 ' H ' ' D' ' 51' ' ' ILE . 5.0 mp -62.41 -33.91 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.793 0.437 . . . . 0.0 110.317 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -82.53 -0.2 45.54 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.028 0.531 . . . . 0.0 111.65 179.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.16 -6.25 59.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.367 1.067 . . . . 0.0 112.418 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.24 47.89 0.49 Allowed Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.512 -0.604 . . . . 0.0 114.19 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -163.62 -179.13 6.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.015 0.908 . . . . 0.0 112.064 -169.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 85.4 m -152.85 100.86 2.55 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.595 1.158 . . . . 0.0 108.576 166.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.455 ' HB2' " H2'" ' G' ' 7' ' ' ' C' . . . 41.29 84.35 0.19 Allowed Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 126.583 1.953 . . . . 0.0 114.31 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.46 169.81 7.68 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.618 2.879 . . . . 0.0 113.669 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 124.104 0.962 . . . . 0.0 112.259 176.719 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -80.9 111.0 16.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -172.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -115.01 126.27 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 108.99 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -146.55 165.11 30.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.284 1.033 . . . . 0.0 111.038 -173.521 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.419 HG22 ' HG2' ' F' ' 29' ' ' GLN . 0.9 OUTLIER -121.58 129.06 52.61 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.824 0.45 . . . . 0.0 110.362 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -128.96 130.52 46.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.229 1.412 . . . . 0.0 110.82 -169.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -83.48 158.93 21.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.733 0.301 . . . . 0.0 111.496 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.71 136.3 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.54 83.57 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 124.002 0.81 . . . . 0.0 114.308 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -94.83 174.88 6.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.846 1.323 . . . . 0.0 111.525 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -137.82 158.77 43.66 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -139.04 156.07 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 126.911 2.084 . . . . 0.0 108.362 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.48 150.45 52.15 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.44 -0.787 . . . . 0.0 113.076 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.01 140.73 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.788 1.235 . . . . 0.0 108.9 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.91 -136.73 51.0 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -124.53 8.58 8.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.903 0.881 . . . . 0.0 111.514 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -135.76 -7.74 2.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -169.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.82 136.95 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 118.928 0.786 . . . . 0.0 110.81 -173.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.39 142.62 51.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.564 1.146 . . . . 0.0 110.015 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.4 136.83 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.394 1.477 . . . . 0.0 108.175 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -134.25 126.3 29.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.124 0.569 . . . . 0.0 109.686 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.07 101.19 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.96 -30.02 66.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.085 -0.384 . . . . 0.0 110.869 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.02 -171.38 34.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.338 0.494 . . . . 0.0 113.32 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -118.86 153.62 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.461 0.704 . . . . 0.0 112.041 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -142.24 89.87 2.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.956 1.302 . . . . 0.0 109.017 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.74 -126.43 37.15 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -171.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -76.2 -24.99 54.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.569 0.685 . . . . 0.0 112.353 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.65 144.76 52.82 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -135.1 118.51 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -88.85 118.61 28.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.12 129.29 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.661 0.784 . . . . 0.0 110.16 -169.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.85 141.68 15.65 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.352 0.977 . . . . 0.0 111.341 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.37 126.31 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.823 1.249 . . . . 0.0 108.651 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -127.97 99.25 5.43 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -172.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 154.85 81.14 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.557 1.143 . . . . 0.0 110.394 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.72 157.45 42.48 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.736 2.291 . . . . 0.0 112.049 172.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 -0.98 12.06 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.462 0.705 . . . . 0.0 112.589 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.72 -23.33 66.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.704 1.202 . . . . 0.0 111.833 169.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -121.86 158.62 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.001 0.92 . . . . 0.0 110.69 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.75 16.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.898 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.066 0.546 . . . . 0.0 110.251 169.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -151.48 170.15 20.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.086 0.954 . . . . 0.0 110.626 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.77 159.26 32.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.78 -23.71 67.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.765 0.317 . . . . 0.0 111.356 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -67.25 -40.16 86.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.97 1.308 . . . . 0.0 111.592 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.49 -33.47 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.484 0.714 . . . . 0.0 109.573 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 48' ' ' TYR . . . . . 0.537 ' HA ' HG12 ' E' ' 51' ' ' ILE . 62.3 t80 -52.44 -35.09 51.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.421 1.088 . . . . 0.0 112.515 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.35 -23.57 67.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.116 0.567 . . . . 0.0 112.32 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.84 -39.8 25.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.151 0.581 . . . . 0.0 110.407 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' E' ' 48' ' ' TYR . 8.4 mm -52.68 -37.68 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.885 0.874 . . . . 0.0 111.193 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -85.24 -47.29 10.23 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.05 -10.75 15.01 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -167.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.52 72.03 0.19 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -172.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.608 HD22 ' H ' ' E' ' 55' ' ' LEU . 0.1 OUTLIER -60.86 161.86 7.59 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.852 1.661 . . . . 0.0 114.207 -164.789 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 35.4 p -75.91 -20.27 58.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.554 174.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.03 90.18 36.04 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.335 1.054 . . . . 0.0 109.907 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.16 146.76 95.93 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.29 2.66 . . . . 0.0 113.295 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 126.064 1.746 . . . . 0.0 114.224 169.519 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.87 148.35 22.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.823 0.449 . . . . 0.0 111.372 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.13 133.57 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 169.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.77 163.82 26.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.494 1.117 . . . . 0.0 109.862 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.54 98.51 5.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 169.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.98 132.95 50.57 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.368 1.467 . . . . 0.0 110.528 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -96.18 165.69 12.1 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 119.946 1.248 . . . . 0.0 113.444 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.84 135.0 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.439 -168.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.3 -2.94 75.4 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.399 1.0 . . . . 0.0 113.896 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -99.2 166.5 11.2 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.539 1.169 . . . . 0.0 111.407 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -129.32 158.44 39.09 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -137.3 156.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 126.922 2.089 . . . . 0.0 107.937 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.85 149.65 51.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.849 0.859 . . . . 0.0 112.08 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -135.08 138.64 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.553 1.141 . . . . 0.0 108.908 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.1 -134.91 52.24 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -172.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -127.02 10.05 6.9 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.313 1.045 . . . . 0.0 112.358 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.74 -18.41 3.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.1 136.89 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 119.162 0.892 . . . . 0.0 110.597 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.4 m -128.21 142.76 51.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.303 1.041 . . . . 0.0 110.374 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -123.07 142.34 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 108.157 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -136.45 129.35 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.823 0.449 . . . . 0.0 110.001 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.62 106.06 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.85 -31.07 56.59 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.736 -0.603 . . . . 0.0 111.005 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.31 -174.47 37.05 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 113.702 0.241 . . . . 0.0 113.702 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.97 155.82 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.62 0.768 . . . . 0.0 111.495 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -145.54 89.93 1.96 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.517 1.127 . . . . 0.0 108.808 169.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.03 -121.7 25.45 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -80.24 -20.41 44.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' E' ' 5' ' ' THR . 0.6 OUTLIER -77.48 145.11 37.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.652 0.781 . . . . 0.0 110.937 177.137 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.18 116.05 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -90.96 125.81 35.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.856 0.462 . . . . 0.0 110.123 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -131.61 143.51 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.367 1.067 . . . . 0.0 109.258 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.41 141.32 16.05 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 124.148 0.88 . . . . 0.0 111.472 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 30.9 mt -130.12 127.1 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.091 0.956 . . . . 0.0 110.056 -175.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -122.05 108.02 12.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.497 1.119 . . . . 0.0 109.162 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.16 157.64 74.03 Favored Pre-proline 0 N--CA 1.453 -0.28 0 C-N-CA 123.588 0.755 . . . . 0.0 111.476 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -64.78 162.49 31.59 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 123.091 2.527 . . . . 0.0 112.315 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -69.55 -2.36 11.2 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.419 0.688 . . . . 0.0 112.335 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.41 -24.73 66.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.24 1.416 . . . . 0.0 112.307 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -125.72 163.22 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.971 0.908 . . . . 0.0 111.257 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.28 161.52 14.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.458 0.703 . . . . 0.0 111.311 169.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.06 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.15 0.58 . . . . 0.0 110.404 170.068 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -154.32 174.52 14.72 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.4 163.84 23.54 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.797 -0.564 . . . . 0.0 110.167 168.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -64.13 -24.39 67.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.18 -53.29 59.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.362 0.665 . . . . 0.0 110.781 171.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.84 -32.82 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 122.923 0.489 . . . . 0.0 109.707 -173.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.71 -32.77 53.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.505 0.722 . . . . 0.0 112.923 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -59.68 -21.76 61.02 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.121 1.368 . . . . 0.0 113.059 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -77.16 -46.31 23.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.967 0.507 . . . . 0.0 111.616 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.51 -63.15 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 C-N-CA 125.959 1.704 . . . . 0.0 114.096 -167.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.36 0.55 7.89 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.73 0.812 . . . . 0.0 112.586 -174.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.08 -16.65 61.47 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.935 0.494 . . . . 0.0 111.866 169.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.05 34.18 0.26 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 123.964 0.792 . . . . 0.0 113.706 169.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.95 179.74 8.8 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.025 0.93 . . . . 0.0 111.525 -169.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -132.4 -3.09 3.43 Favored 'General case' 0 CA--C 1.526 0.034 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.31 124.57 15.1 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.681 0.793 . . . . 0.0 110.33 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.0 144.5 78.7 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.322 2.682 . . . . 0.0 113.397 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 125.772 1.629 . . . . 0.0 113.802 171.326 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.585 3.385 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.629 3.429 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.886 4.686 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 O4'-C1'-N19 112.252 4.052 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.418 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C3'-C2'-C1' 104.696 3.551 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.418 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 C5'-C4'-C3' 107.855 -5.097 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.455 " H2'" ' HB2' ' D' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 C5'-C4'-C3' 109.358 -4.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C3'-C2'-C1' 103.828 2.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 110.489 2.289 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 C3'-C2'-C1' 104.954 3.838 . 0.123 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.884 3.684 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.44 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 C5'-C4'-C3' 112.502 -1.998 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C5'-C4'-C3' 110.713 -3.191 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C4'-C3'-C2' 100.307 -2.393 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 111.739 3.539 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 111.276 3.076 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 1 C5'-C4'-C3' 109.291 -4.14 . 0.821 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C5'-C4'-C3' 110.453 -3.365 . 0.072 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 110.89 2.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 O4'-C1'-N19 111.791 3.591 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O4'-C1'-N19 112.44 4.24 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 110.986 2.786 . 0.099 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.73 4.53 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 112.146 3.946 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 110.013 -3.658 . 0.413 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O5'-C5'-C4' 114.171 2.837 . 0.29 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C5'-C4'-C3' 111.409 -2.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 0 C5'-C4'-C3' 111.983 -2.345 . 0.046 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 C5'-C4'-C3' 111.394 -2.737 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 O4'-C1'-N19 111.728 3.528 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.271 -2.429 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.253 3.053 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.433 4.233 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C4'-C3'-C2' 99.101 -3.599 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C4'-C3'-C2' 99.6 -3.1 . 0.204 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.523 3.323 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 P-O3'-C3' 122.416 2.263 . 0.022 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C5'-C4'-C3' 110.18 -3.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C3'-C2'-C1' 103.3 2.0 . 0.238 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 O4'-C1'-N19 113.162 4.962 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.418 1 C5'-C4'-C3' 108.381 -4.746 . 0.02 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 0 O4'-C1'-N19 111.769 3.569 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 1 O4'-C1'-N19 112.767 4.567 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.809 4.609 . 0.072 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 O4'-C1'-N19 112.585 4.385 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.282 3.082 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 1 O4'-C1'-N19 112.793 4.593 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 0 C3'-C2'-C1' 104.864 3.737 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 1 P-O3'-C3' 125.477 4.814 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.841 3.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.386 0 C5'-C4'-C3' 111.551 -2.633 . 0.395 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 1 O5'-C5'-C4' 117.355 5.11 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 110.281 2.081 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.644 4.444 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C4'-C3'-C2' 100.143 -2.557 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.161 2.961 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 1 O4'-C1'-N19 113.792 5.592 . 0.396 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.772 3.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.898 3.698 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.483 3.283 . 0.219 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 O4'-C1'-N19 111.977 3.777 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.491 3.291 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.489 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 C3'-C2'-C1' 105.05 3.944 . 0.481 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.489 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 99.483 -3.217 . 0.157 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 110.801 2.601 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . 0.579 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C3'-C2'-C1' 104.828 3.698 . 0.513 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.579 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.687 1 O5'-C5'-C4' 120.845 7.604 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.536 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.18 1 P-O3'-C3' 125.971 5.226 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C5'-C4'-C3' 111.268 -2.821 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 1 O4'-C1'-N19 112.211 4.011 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C4'-C3'-C2' 100.15 -2.55 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.976 2.776 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.86 118.93 37.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.702 0.801 . . . . 0.0 109.45 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.77 135.82 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.121 0.968 . . . . 0.0 110.4 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -134.73 153.95 51.79 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.685 1.194 . . . . 0.0 110.143 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 m -128.08 101.11 6.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.92 0.888 . . . . 0.0 109.788 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -128.7 155.55 44.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 122.01 -0.431 . . . . 0.0 111.78 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 161.91 13.8 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.285 -172.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG13 ' HA2' ' A' ' 24' ' ' GLY . 48.1 t -43.58 128.27 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.652 0.781 . . . . 0.0 110.787 169.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.06 -15.16 63.97 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.263 0.935 . . . . 0.0 113.843 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -86.31 170.77 11.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.785 1.293 . . . . 0.0 112.749 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.4 m -139.28 155.88 47.43 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 12.8 mm -126.09 157.84 35.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.496 1.918 . . . . 0.0 109.683 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -128.66 140.71 51.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.357 1.063 . . . . 0.0 111.438 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.58 131.48 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.413 1.085 . . . . 0.0 109.751 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.01 -130.96 33.35 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -125.78 1.82 7.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.872 0.869 . . . . 0.0 112.103 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.54 -17.12 1.52 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.06 134.09 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 119.027 0.83 . . . . 0.0 110.342 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -128.09 142.72 51.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.698 0.799 . . . . 0.0 109.694 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -120.73 143.81 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.739 1.216 . . . . 0.0 108.497 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.9 m -136.46 132.76 35.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.235 0.614 . . . . 0.0 110.064 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.52 96.52 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.91 -30.48 68.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.32 -171.18 44.1 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 117.712 0.233 . . . . 0.0 113.566 169.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.0 147.27 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.716 0.807 . . . . 0.0 111.144 -171.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.48 70.61 1.34 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.854 1.262 . . . . 0.0 109.976 -170.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.49 -124.57 10.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -80.15 -1.75 41.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.287 0.544 . . . . 0.0 112.259 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -98.91 155.49 17.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.837 0.827 . . . . 0.0 111.886 170.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -139.15 126.62 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 126.041 1.737 . . . . 0.0 108.31 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -104.34 101.82 11.51 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.48 0.712 . . . . 0.0 110.303 -175.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -107.86 130.74 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.224 1.409 . . . . 0.0 109.615 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.77 138.37 14.13 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.97 132.14 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.168 1.387 . . . . 0.0 108.47 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -121.02 75.05 1.12 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.512 1.125 . . . . 0.0 109.27 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.39 154.24 40.75 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 125.11 1.364 . . . . 0.0 110.663 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.19 154.09 56.83 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.564 2.176 . . . . 0.0 110.364 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -68.83 -4.78 17.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.8 -24.84 65.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.947 0.899 . . . . 0.0 111.99 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -117.71 144.09 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.98 0.895 . . . . 0.0 111.917 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.14 143.03 29.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.315 1.046 . . . . 0.0 110.874 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -133.62 125.49 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.921 0.488 . . . . 0.0 110.451 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -151.26 158.82 44.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -68.41 162.31 25.71 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.535 1.134 . . . . 0.0 110.414 169.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -59.58 -43.6 93.6 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.562 -0.711 . . . . 0.0 112.796 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 -79.73 1.7 25.57 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.17 -8.76 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.459 1.104 . . . . 0.0 110.687 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -80.07 -40.06 28.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.349 -1.47 . . . . 0.0 110.509 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -73.28 -23.38 60.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.792 0.437 . . . . 0.0 111.826 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -70.36 -26.77 63.89 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 173.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -80.08 -51.8 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.145 0.978 . . . . 0.0 109.568 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.1 mm100 -74.59 4.98 5.27 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.518 0.727 . . . . 0.0 111.359 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.75 67.06 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.606 0.763 . . . . 0.0 111.982 168.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.22 18.35 0.94 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 123.804 0.716 . . . . 0.0 113.452 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -127.74 173.69 9.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.637 1.175 . . . . 0.0 111.533 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.0 p -141.53 160.28 40.48 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.931 0.892 . . . . 0.0 111.069 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.93 153.07 48.19 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 124.119 0.967 . . . . 0.0 111.165 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.45 164.49 30.62 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.301 2.667 . . . . 0.0 111.934 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 124.332 1.053 . . . . 0.0 112.234 178.479 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -114.21 123.38 49.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.602 168.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.5 mt -118.97 140.41 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -165.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -135.7 138.0 42.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.157 1.383 . . . . 0.0 110.66 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.4 m -115.5 106.31 13.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -126.34 156.34 40.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.373 1.069 . . . . 0.0 110.301 -169.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -96.74 168.15 10.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -62.72 133.12 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.244 0.545 . . . . 0.0 110.786 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.32 -2.48 78.35 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-O 119.094 -0.837 . . . . 0.0 114.526 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -87.76 162.36 17.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.051 1.425 . . . . 0.0 111.845 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -130.67 157.68 42.13 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.395 0.678 . . . . 0.0 112.498 -171.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -145.24 159.9 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 126.225 1.81 . . . . 0.0 108.403 -172.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -141.62 146.0 35.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.5 0.72 . . . . 0.0 111.865 -169.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.2 130.86 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.613 1.165 . . . . 0.0 109.587 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -133.96 50.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.03 5.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.817 0.847 . . . . 0.0 112.697 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -115.69 -18.79 10.76 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.14 135.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-N 119.016 0.825 . . . . 0.0 111.363 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -130.18 149.68 51.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.942 1.297 . . . . 0.0 109.877 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -129.18 143.71 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.066 1.746 . . . . 0.0 108.393 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.5 m -137.28 129.49 29.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.055 0.542 . . . . 0.0 109.939 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -80.78 104.45 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.74 -33.99 71.4 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.922 -0.486 . . . . 0.0 110.752 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.21 176.11 31.93 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.68 158.19 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.388 0.613 . . . . 0.0 110.389 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -135.65 75.95 1.59 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.66 1.184 . . . . 0.0 108.405 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.07 -122.6 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.78 11.44 39.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.052 -0.675 . . . . 0.0 111.541 171.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.1 158.41 15.69 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.939 0.896 . . . . 0.0 109.906 169.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -139.41 122.23 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.0 0.52 . . . . 0.0 110.282 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 119.57 31.42 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.305 1.442 . . . . 0.0 109.654 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.48 134.14 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.087 0.955 . . . . 0.0 110.142 -169.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.32 139.83 14.63 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 123.713 0.673 . . . . 0.0 111.961 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mt -124.57 131.01 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.093 0.957 . . . . 0.0 109.176 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -131.84 77.09 1.75 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.732 -167.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.59 157.18 57.38 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.284 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.14 155.05 41.78 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.705 1.603 . . . . 0.0 109.561 168.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -0.83 10.05 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.899 0.88 . . . . 0.0 111.106 175.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.78 -25.7 67.37 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.634 1.974 . . . . 0.0 111.528 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.7 144.15 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.73 1.212 . . . . 0.0 109.951 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.04 140.56 30.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.405 0.621 . . . . 0.0 111.849 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.6 t -144.83 99.32 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.276 -166.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.5 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.8 OUTLIER -145.7 168.17 21.35 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.154 0.982 . . . . 0.0 110.553 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.9 ptt-85 -71.18 158.5 36.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.199 -0.313 . . . . 0.0 111.483 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.39 -32.84 62.97 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.929 0.892 . . . . 0.0 112.532 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -53.77 -51.21 64.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.065 0.848 . . . . 0.0 110.565 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.72 -43.44 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.899 1.279 . . . . 0.0 110.081 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -48.5 -38.77 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.212 1.005 . . . . 0.0 112.015 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.86 -27.21 65.61 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -79.41 -39.07 33.33 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 119.008 0.822 . . . . 0.0 110.478 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 87.3 mt -64.46 -42.55 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 -77.58 5.0 9.95 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.65 -18.84 50.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.285 0.493 . . . . 0.0 111.837 169.116 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.35 44.73 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.494 -0.615 . . . . 0.0 114.397 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.04 -174.42 2.04 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.851 0.826 . . . . 0.0 112.596 -168.248 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -127.03 175.35 8.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.062 1.345 . . . . 0.0 109.636 167.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.19 122.35 1.29 Allowed Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 124.34 1.056 . . . . 0.0 111.39 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -58.49 168.77 3.65 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 123.268 2.645 . . . . 0.0 114.581 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 124.593 1.157 . . . . 0.0 113.391 -174.827 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' D' ' 34' ' ' ILE 0.287 7.3 tpp . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.79 106.71 12.37 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.027 1.731 . . . . 0.0 106.527 166.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.16 133.73 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.539 0.736 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -128.88 144.54 51.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.444 1.097 . . . . 0.0 110.053 170.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -114.7 128.02 56.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.186 0.594 . . . . 0.0 110.864 173.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.676 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 32.6 mtp85 -140.7 150.85 43.98 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.415 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 2.7 tptm -75.39 160.41 30.3 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.091 1.356 . . . . 0.0 110.594 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.42 143.8 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 O-C-N 121.443 -0.786 . . . . 0.0 112.377 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.91 -3.77 86.7 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.85 1.214 . . . . 0.0 113.549 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' GLU . . . . . 0.676 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 73.8 mm-40 -86.58 164.16 17.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.937 1.368 . . . . 0.0 113.56 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -121.57 153.38 38.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.448 1.099 . . . . 0.0 112.99 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mt -145.37 156.91 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.979 2.112 . . . . 0.0 108.4 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -131.76 152.63 50.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.019 -1.051 . . . . 0.0 112.353 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.11 135.83 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 125.009 1.324 . . . . 0.0 109.576 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.89 -137.83 49.28 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -175.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -120.62 0.41 10.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.377 1.071 . . . . 0.0 111.011 169.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -122.49 -9.41 8.5 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.238 1.015 . . . . 0.0 113.239 -169.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.34 133.67 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 118.741 0.701 . . . . 0.0 110.659 -174.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -116.76 147.38 42.1 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.656 0.782 . . . . 0.0 109.968 171.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -126.31 146.69 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.543 1.537 . . . . 0.0 108.147 177.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -143.62 133.05 23.4 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.409 -0.807 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -86.33 100.94 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 168.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.54 -36.37 60.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.834 -0.541 . . . . 0.0 109.751 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.63 -170.15 42.52 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.761 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.83 154.47 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.384 0.674 . . . . 0.0 110.735 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -139.64 90.04 2.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.211 1.004 . . . . 0.0 108.609 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -117.47 7.46 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -169.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.27 -3.35 44.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.62 0.768 . . . . 0.0 112.177 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' HG2' ' D' ' 7' ' ' LYS . 21.4 mt-30 -81.52 157.94 24.64 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.761 0.791 . . . . 0.0 111.816 173.005 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -137.96 112.63 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 125.716 1.606 . . . . 0.0 107.041 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -79.07 112.28 16.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 mt -109.97 127.1 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.857 1.263 . . . . 0.0 109.468 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 142.25 16.04 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 125.294 1.425 . . . . 0.0 111.303 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -136.38 135.14 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -138.07 94.74 2.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -171.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.04 156.48 75.67 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 123.897 0.879 . . . . 0.0 110.474 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.11 151.43 81.9 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.737 2.291 . . . . 0.0 110.992 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.22 -1.0 2.87 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 123.391 0.676 . . . . 0.0 112.557 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.76 -22.63 66.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.362 1.065 . . . . 0.0 111.33 169.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.36 149.54 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.204 1.002 . . . . 0.0 110.562 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.75 154.83 20.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.764 0.425 . . . . 0.0 111.455 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.66 131.29 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -153.74 167.08 30.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.105 0.562 . . . . 0.0 111.257 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.5 ' HA ' HD13 ' D' ' 12' ' ' ILE . 32.2 ptt-85 -87.3 158.0 19.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 166.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.68 -35.2 74.0 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -168.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.43 -18.9 63.78 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.109 0.963 . . . . 0.0 113.483 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mm -98.53 -34.48 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.014 0.926 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.65 -35.06 54.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.266 1.026 . . . . 0.0 112.159 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -61.33 -24.98 66.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.802 0.841 . . . . 0.0 112.9 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -68.73 -38.54 80.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.499 0.59 . . . . 0.0 111.603 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.456 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.6 mp -68.43 -20.58 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.67 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -94.59 2.07 55.63 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.7 1.2 . . . . 0.0 112.976 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.92 4.12 5.8 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -169.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.48 25.98 5.01 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 123.955 0.788 . . . . 0.0 112.984 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 53.4 mt -67.83 -17.61 64.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.597 0.699 . . . . 0.0 112.58 -175.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -74.32 -26.07 59.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.687 0.795 . . . . 0.0 111.621 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.8 82.8 13.46 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 123.691 0.796 . . . . 0.0 110.833 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -66.57 177.45 3.35 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.273 2.648 . . . . 0.0 113.691 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 124.135 0.974 . . . . 0.0 112.438 179.35 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mmm . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.9 112.36 11.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.118 1.767 . . . . 0.0 107.257 168.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.59 137.9 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.769 1.228 . . . . 0.0 109.421 -171.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 159.21 38.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.375 0.67 . . . . 0.0 111.74 173.355 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 19.3 p -90.93 144.83 25.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.372 0.606 . . . . 0.0 112.044 172.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -132.38 145.94 51.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.551 1.141 . . . . 0.0 108.23 166.544 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' C' ' 29' ' ' GLN . 74.5 mttt -92.74 158.71 15.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.508 169.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.523 HG12 ' HA2' ' D' ' 24' ' ' GLY . 31.3 m -42.79 133.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.55 -6.01 80.27 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.365 0.983 . . . . 0.0 114.177 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -94.38 170.59 9.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.79 1.295 . . . . 0.0 112.615 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.4 m -131.13 158.97 39.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.4 mm -139.69 153.78 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 128.412 2.685 . . . . 0.0 108.315 -174.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -132.36 145.79 51.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.041 0.936 . . . . 0.0 111.829 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 83.9 mt -133.38 139.56 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.834 1.253 . . . . 0.0 109.131 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.45 -131.88 52.27 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -173.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.94 9.93 5.41 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.617 0.767 . . . . 0.0 111.675 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.64 -8.41 4.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.973 0.909 . . . . 0.0 112.953 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.78 137.35 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.34 0.656 . . . . 0.0 110.608 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -127.68 142.6 51.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 109.489 174.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -125.94 141.14 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.956 1.302 . . . . 0.0 108.056 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -136.1 130.43 33.36 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -84.48 102.75 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.8 mt -73.3 -34.2 65.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.848 0.459 . . . . 0.0 110.241 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' GLY . . . . . 0.523 ' HA2' HG12 ' D' ' 8' ' ' VAL . . . 169.37 179.72 41.43 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 121.049 0.249 . . . . 0.0 112.846 168.546 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.502 HG12 HG11 ' D' ' 8' ' ' VAL . 8.0 p -121.06 135.0 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.364 1.066 . . . . 0.0 110.091 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -133.36 79.08 1.81 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.794 1.238 . . . . 0.0 109.073 -170.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.98 -118.83 5.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -171.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.415 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mt-30 -94.83 -8.57 37.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.604 0.762 . . . . 0.0 111.077 173.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.447 ' NE2' ' C5 ' ' G' ' 3' ' ' ' U' . 54.3 mt-30 -79.54 147.97 31.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.177 0.591 . . . . 0.0 110.523 173.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -127.32 123.83 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -95.7 107.75 19.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.495 1.118 . . . . 0.0 108.714 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -117.05 127.28 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.925 0.89 . . . . 0.0 109.982 -168.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.73 142.4 15.98 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 171.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 4.5 mp -127.51 138.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -136.05 89.97 2.53 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.79 155.31 79.51 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.676 1.191 . . . . 0.0 109.644 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.8 151.59 83.22 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.4 2.067 . . . . 0.0 110.905 169.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.05 -1.91 6.75 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.05 -21.49 66.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.315 1.046 . . . . 0.0 111.325 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.09 159.86 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.226 1.01 . . . . 0.0 110.881 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.21 157.11 16.11 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.565 0.746 . . . . 0.0 112.172 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.5 123.73 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.773 167.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -152.31 159.65 43.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.234 0.614 . . . . 0.0 111.388 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -66.64 155.59 37.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.309 0.643 . . . . 0.0 110.353 167.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -55.88 -41.33 74.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -167.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -67.97 -22.42 65.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.4 -41.74 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 123.987 0.915 . . . . 0.0 110.894 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -48.05 -36.05 12.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.904 1.281 . . . . 0.0 112.78 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -60.2 -28.36 67.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.496 1.119 . . . . 0.0 112.962 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.37 -35.64 65.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.342 1.057 . . . . 0.0 111.118 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.65 HD12 ' N ' ' D' ' 51' ' ' ILE . 1.9 mp -83.1 -18.62 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 127.29 2.236 . . . . 0.0 109.326 -176.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -105.0 -18.44 14.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.26 -11.85 36.93 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.47 -4.44 0.8 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 123.621 0.629 . . . . 0.0 113.08 -170.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 80.66 135.48 0.06 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 128.06 2.544 . . . . 0.0 112.22 168.23 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 56' ' ' THR . . . . . 0.417 HG22 ' N4 ' ' G' ' 7' ' ' ' C' . 3.4 m -131.34 -14.81 3.3 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.526 -168.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.4 130.75 5.63 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 124.622 1.169 . . . . 0.0 108.383 167.091 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -64.85 173.04 6.21 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.177 1.918 . . . . 0.0 113.274 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 124.393 1.077 . . . . 0.0 112.845 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -113.84 120.94 42.47 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.173 0.589 . . . . 0.0 110.157 -169.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.69 139.18 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.067 0.947 . . . . 0.0 109.82 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -133.69 165.01 25.94 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.804 1.641 . . . . 0.0 110.578 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.0 97.04 4.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 167.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.41 ' HE ' ' CD ' ' E' ' 10' ' ' GLU . 0.1 OUTLIER -107.67 129.83 54.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.099 1.36 . . . . 0.0 110.049 -168.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . 0.264 15.2 ptpt -98.68 146.94 25.35 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 123.516 1.627 . . . . 0.0 114.212 176.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 8' ' ' VAL . . . . . 0.5 HG13 ' HA2' ' E' ' 24' ' ' GLY . 27.5 t -34.91 118.03 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 110.317 -3.128 . . . . 0.0 110.227 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.22 -17.03 44.81 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.356 -0.691 . . . . 0.0 113.922 -178.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 10' ' ' GLU . . . . . 0.41 ' CD ' ' HE ' ' E' ' 6' ' ' ARG . 50.0 mt-10 -86.59 171.09 11.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.647 1.223 . . . . 0.0 111.879 172.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -133.13 155.48 49.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.943 0.897 . . . . 0.0 111.804 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -125.38 160.85 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 126.647 1.979 . . . . 0.0 108.167 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -134.86 150.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.649 -0.657 . . . . 0.0 111.732 173.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -134.38 137.68 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.442 1.097 . . . . 0.0 109.182 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.42 -137.42 50.03 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.71 8.83 9.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.985 0.914 . . . . 0.0 111.931 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -138.73 -9.14 1.4 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -115.56 135.27 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.925 0.784 . . . . 0.0 110.508 -172.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -126.08 148.32 49.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.984 1.314 . . . . 0.0 109.198 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.79 150.12 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.83 0.852 . . . . 0.0 109.334 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.44 132.21 31.0 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.894 0.878 . . . . 0.0 111.013 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.46 100.77 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 169.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 mt -73.08 -24.13 60.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.691 -0.631 . . . . 0.0 112.087 -171.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 24' ' ' GLY . . . . . 0.5 ' HA2' HG13 ' E' ' 8' ' ' VAL . . . 158.18 168.47 20.5 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 118.577 0.626 . . . . 0.0 113.089 -170.056 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -114.52 156.63 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.285 0.634 . . . . 0.0 111.2 168.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -143.75 89.83 2.09 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.672 1.189 . . . . 0.0 108.107 168.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.48 -128.63 43.96 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.352 -171.311 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -75.84 -19.33 58.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.48 0.64 . . . . 0.0 112.177 173.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.06 147.03 36.92 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.639 0.733 . . . . 0.0 110.031 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.17 121.76 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm105 -89.43 120.91 31.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.21 139.03 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.54 1.136 . . . . 0.0 110.302 -167.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 138.85 15.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.417 1.008 . . . . 0.0 110.869 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 19.5 mt -132.49 135.35 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -138.24 101.16 4.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.694 -0.629 . . . . 0.0 111.22 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.77 156.26 79.59 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 124.716 1.206 . . . . 0.0 110.537 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.08 158.03 36.5 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.842 2.361 . . . . 0.0 111.885 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -68.41 -0.86 5.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.401 0.68 . . . . 0.0 112.704 169.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.98 -22.98 67.09 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.75 1.22 . . . . 0.0 111.333 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.9 154.98 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.412 1.085 . . . . 0.0 110.582 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 157.8 19.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.653 0.381 . . . . 0.0 111.467 172.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.05 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.042 -0.411 . . . . 0.0 110.968 169.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.76 170.03 20.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.208 1.003 . . . . 0.0 111.159 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -66.99 154.6 40.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.41 -23.59 64.49 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.107 -0.37 . . . . 0.0 111.783 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.49 -48.79 73.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.578 1.151 . . . . 0.0 111.347 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.53 -31.14 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.575 0.75 . . . . 0.0 109.89 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -54.62 -37.44 65.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.704 0.801 . . . . 0.0 112.379 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -69.99 -22.15 63.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.84 -26.67 64.33 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.497 0.589 . . . . 0.0 110.316 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.803 ' HA ' HD12 ' E' ' 55' ' ' LEU . 92.7 mt -94.23 -39.3 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 110.891 -169.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -73.66 3.04 6.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.381 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.11 -19.08 64.8 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.054 1.342 . . . . 0.0 112.34 168.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.33 24.56 0.07 OUTLIER Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.278 -0.734 . . . . 0.0 114.82 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' E' ' 51' ' ' ILE . 33.6 mt -103.82 -36.62 7.76 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.568 1.184 . . . . 0.0 112.316 -170.057 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -35.2 69.82 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.369 1.068 . . . . 0.0 110.806 -174.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.22 115.85 9.34 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.952 1.301 . . . . 0.0 109.004 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -58.2 138.63 86.94 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.758 2.305 . . . . 0.0 112.851 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 169.105 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.006 -0.045 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -101.05 148.48 25.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.511 0.724 . . . . 0.0 111.288 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.6 137.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.549 0.739 . . . . 0.0 109.452 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.1 162.82 31.4 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 110.181 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.58 97.0 4.4 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 169.03 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.56 137.65 43.04 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.488 1.515 . . . . 0.0 112.227 -169.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -85.93 157.12 20.23 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 112.104 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.61 138.24 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.148 0.499 . . . . 0.0 111.863 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.14 -5.18 84.53 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.069 0.842 . . . . 0.0 114.11 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.807 1.303 . . . . 0.0 112.368 176.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -133.45 157.22 46.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.746 0.818 . . . . 0.0 112.573 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -135.3 157.14 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 126.987 2.115 . . . . 0.0 107.341 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -131.6 150.25 52.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.385 -0.822 . . . . 0.0 112.136 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -134.99 138.79 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.628 1.171 . . . . 0.0 109.033 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.18 -135.31 51.95 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -127.69 10.07 6.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.211 1.004 . . . . 0.0 112.367 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -127.85 -18.11 4.32 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.5 136.18 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 119.039 0.836 . . . . 0.0 110.769 -171.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -126.85 143.22 51.33 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.525 1.13 . . . . 0.0 110.021 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -121.85 143.21 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.782 1.633 . . . . 0.0 107.985 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -136.3 130.41 32.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.081 0.552 . . . . 0.0 109.951 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -85.17 112.54 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -86.17 -26.14 25.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.319 0.648 . . . . 0.0 111.354 -172.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.31 -172.56 33.53 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 117.89 0.314 . . . . 0.0 113.842 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.46 156.0 40.52 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.315 1.446 . . . . 0.0 108.656 168.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -118.81 9.03 Favored Glycine 0 CA--C 1.526 0.76 0 O-C-N 121.68 -0.637 . . . . 0.0 111.769 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -88.17 -22.35 24.09 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 117.724 0.762 . . . . 0.0 110.524 175.642 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -69.62 126.61 30.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.278 0.49 . . . . 0.0 109.782 177.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.57 117.11 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -84.44 127.75 34.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.62 141.83 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 124.03 0.932 . . . . 0.0 110.138 -168.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.48 143.64 17.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 124.26 0.934 . . . . 0.0 111.454 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.35 134.02 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.382 1.073 . . . . 0.0 109.828 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -127.16 103.46 7.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.665 1.186 . . . . 0.0 109.28 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.49 158.84 72.55 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 123.663 0.785 . . . . 0.0 111.442 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -63.87 162.42 28.88 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.845 2.363 . . . . 0.0 112.357 174.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.12 -5.49 27.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.584 0.754 . . . . 0.0 112.56 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.9 -19.4 64.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.87 1.268 . . . . 0.0 112.583 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.17 166.92 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.711 0.804 . . . . 0.0 111.768 -175.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.33 167.45 9.91 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.398 1.079 . . . . 0.0 111.438 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.06 124.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.393 0.677 . . . . 0.0 110.677 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -153.45 -178.44 7.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.174 0.99 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -76.39 155.65 33.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -58.49 -29.02 65.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.373 0.669 . . . . 0.0 112.224 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -58.14 -46.11 86.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.865 0.866 . . . . 0.0 111.284 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.53 -31.23 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 123.686 0.794 . . . . 0.0 109.636 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 48' ' ' TYR . . . . . 0.526 ' HA ' HG12 ' F' ' 51' ' ' ILE . 74.9 t80 -53.21 -33.97 55.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.225 1.01 . . . . 0.0 112.99 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.48 -22.02 65.49 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.446 0.698 . . . . 0.0 112.186 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.03 -23.0 26.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.7 0.8 . . . . 0.0 110.925 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' F' ' 48' ' ' TYR . 6.2 mm -67.98 -56.59 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.761 171.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -74.64 2.95 8.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.132 0.973 . . . . 0.0 112.255 -171.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.89 -20.89 65.16 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.109 0.964 . . . . 0.0 112.795 169.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.03 27.61 0.03 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 169.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -160.34 -169.86 2.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.743 1.271 . . . . 0.0 111.377 -169.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -121.5 -27.08 4.84 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 123.461 0.705 . . . . 0.0 112.676 174.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.81 120.94 5.13 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.178 0.591 . . . . 0.0 110.18 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -65.58 170.07 11.73 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 122.463 2.109 . . . . 0.0 113.29 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 124.983 1.313 . . . . 0.0 112.855 178.14 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O4'-C1'-N19 112.193 3.993 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.36 3.16 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . 0.447 ' C5 ' ' NE2' ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 O4'-C1'-N19 112.482 4.282 . 0.596 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.321 4.121 . 0.085 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.428 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C3'-C2'-C1' 104.325 3.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.428 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 C5'-C4'-C3' 108.719 -4.52 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.458 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 C5'-C4'-C3' 109.376 -4.082 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C3'-C2'-C1' 103.987 2.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.416 0 O5'-C5'-C4' 113.789 2.564 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C3'-C2'-C1' 104.62 3.467 . 0.134 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 111.919 3.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.421 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C5'-C4'-C3' 112.541 -1.973 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 C5'-C4'-C3' 108.534 -4.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 100.492 -2.208 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.782 3.582 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.239 3.039 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 O4'-C1'-N19 114.104 5.904 . 0.695 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.524 3.324 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C4'-C3'-C2' 100.095 -2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 O4'-C1'-N19 111.957 3.757 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 1 O4'-C1'-N19 112.473 4.273 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.11 2.91 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 O4'-C1'-N19 112.304 4.104 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 1 O4'-C1'-N19 112.217 4.017 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 N19-C1'-C2' 108.328 -3.17 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 100.518 -2.182 . 0.367 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.5 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 99.362 -3.338 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 C5'-C4'-C3' 111.779 -2.481 . 0.067 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 C5'-C4'-C3' 111.494 -2.671 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 C5'-C4'-C3' 109.165 -4.223 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 P-O3'-C3' 125.16 4.55 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.139 2.939 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 112.236 4.036 . 0.896 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 99.238 -3.462 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 C4'-C3'-C2' 99.658 -3.042 . 0.435 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.611 3.411 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 O4'-C1'-N19 112.186 3.986 . 0.169 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 O4'-C1'-N19 111.245 3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C3'-C2'-C1' 103.477 2.197 . 0.247 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 1 O4'-C1'-N19 113.032 4.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 1 C5'-C4'-C3' 109.034 -4.311 . 0.021 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 2 C3'-C2'-C1' 106.472 5.525 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 0 O4'-C1'-N19 112.191 3.991 . 0.029 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.67 4.47 . 0.082 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 1 O4'-C1'-N19 112.837 4.637 . 0.242 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.373 3.173 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 O4'-C1'-N19 112.198 3.998 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 O4'-C1'-N19 111.141 2.941 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C4'-C3'-C2' 99.556 -3.144 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 110.982 2.782 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C5'-C4'-C3' 111.78 -2.48 . 0.45 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O5'-C5'-C4' 117.154 4.967 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C5'-C4'-C3' 111.793 -2.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 O4'-C1'-N19 112.329 4.129 . 0.911 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.204 -2.496 . 0.417 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 O4'-C1'-N19 111.347 3.147 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.361 0 C3'-C2'-C1' 104.507 3.341 . 0.201 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.53 3.33 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 112.026 3.826 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 0 O4'-C1'-N19 111.075 2.875 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.938 3.738 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 O4'-C1'-N19 112.072 3.872 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C3'-C2'-C1' 104.256 3.063 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C4'-C3'-C2' 99.227 -3.473 . 0.013 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C4'-C3' 108.561 2.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C5'-C4'-C3' 111.942 -2.372 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 2 C5'-C4'-C3' 108.466 -4.689 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 109.047 -4.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 99.837 -2.863 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 O4'-C1'-N19 112.496 4.296 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C4'-C3'-C2' 99.393 -3.307 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 110.561 2.361 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.18 112.56 25.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.652 0.781 . . . . 0.0 109.253 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.23 134.79 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.837 0.855 . . . . 0.0 110.116 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -131.19 159.2 38.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.222 1.009 . . . . 0.0 109.906 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -124.56 113.48 18.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.219 1.008 . . . . 0.0 108.643 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HG2' HD11 ' B' ' 32' ' ' ILE . 0.9 OUTLIER -131.32 139.96 49.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.401 0.68 . . . . 0.0 110.803 -167.781 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.0 162.3 13.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 118.663 0.665 . . . . 0.0 110.943 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG13 ' HA2' ' A' ' 24' ' ' GLY . 71.5 t -44.37 129.63 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.77 0.828 . . . . 0.0 110.847 175.147 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.42 81.67 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.376 0.989 . . . . 0.0 114.816 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -86.6 169.05 13.09 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 119.244 1.522 . . . . 0.0 112.548 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -137.87 141.8 40.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.103 0.961 . . . . 0.0 111.949 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.7 mm -124.29 154.13 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.162 1.785 . . . . 0.0 108.02 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.44 137.43 48.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.293 1.037 . . . . 0.0 110.114 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -135.21 127.99 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.012 0.925 . . . . 0.0 109.31 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.79 -134.96 35.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -121.03 -1.12 9.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.963 0.905 . . . . 0.0 112.232 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.35 -20.15 2.7 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.99 139.22 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 118.745 0.702 . . . . 0.0 110.74 -169.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 m -137.41 140.96 41.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.289 1.036 . . . . 0.0 109.284 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 mm -124.19 124.74 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.167 0.987 . . . . 0.0 108.69 -176.092 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -118.88 136.04 54.25 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.754 0.821 . . . . 0.0 109.577 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -89.89 112.45 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.16 -22.55 36.03 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.909 -0.495 . . . . 0.0 110.045 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.15 -167.98 39.04 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 117.881 0.31 . . . . 0.0 113.665 168.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.01 161.01 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.061 0.945 . . . . 0.0 111.428 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -143.63 69.25 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.769 1.228 . . . . 0.0 109.401 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.16 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -71.08 -12.04 61.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.853 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -98.91 157.41 16.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.061 0.934 . . . . 0.0 112.222 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -138.48 124.01 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.021 1.728 . . . . 0.0 108.118 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -103.29 101.88 11.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.546 0.739 . . . . 0.0 110.45 -175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -108.55 133.62 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.523 1.529 . . . . 0.0 109.604 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.82 133.77 11.84 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 169.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.78 132.56 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.657 1.183 . . . . 0.0 108.363 175.517 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -119.02 75.06 1.01 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.631 1.172 . . . . 0.0 109.389 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.48 152.53 44.67 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.546 174.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.56 156.84 49.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.491 2.127 . . . . 0.0 110.621 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -67.88 -2.97 8.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.87 -30.85 71.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.867 0.867 . . . . 0.0 111.571 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -120.23 144.11 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.882 0.848 . . . . 0.0 111.891 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.08 143.08 41.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.53 1.132 . . . . 0.0 111.741 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.88 120.89 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.224 0.61 . . . . 0.0 109.428 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.421 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 97.2 m-70 -148.92 171.99 15.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.371 0.669 . . . . 0.0 111.198 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.11 158.96 16.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.521 0.728 . . . . 0.0 110.948 169.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.55 -28.23 69.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -167.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -74.69 -5.29 42.35 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.207 -0.933 . . . . 0.0 113.186 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.69 -30.07 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.774 1.23 . . . . 0.0 110.871 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.84 -32.13 72.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 118.886 0.766 . . . . 0.0 110.529 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.14 -13.31 60.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.416 0.686 . . . . 0.0 112.077 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -78.66 -33.56 47.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.822 0.849 . . . . 0.0 110.887 169.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD13 HG21 ' A' ' 51' ' ' ILE . 32.2 mt -64.72 -52.62 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -84.21 5.28 27.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.544 0.738 . . . . 0.0 112.266 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -29.86 68.01 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.784 0.434 . . . . 0.0 111.014 168.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.36 9.23 0.04 OUTLIER Glycine 0 CA--C 1.526 0.774 0 CA-C-O 119.201 -0.777 . . . . 0.0 113.535 170.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 56' ' ' THR . 18.5 mt -86.13 90.57 8.17 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.872 1.336 . . . . 0.0 108.272 -173.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.2 p 162.59 -36.57 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 127.807 2.443 . . . . 0.0 108.632 -169.397 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.14 153.53 95.92 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.705 1.202 . . . . 0.0 112.677 -169.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.02 164.82 33.4 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 123.433 2.755 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 124.825 1.25 . . . . 0.0 112.204 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.8 tpp . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.492 -0.289 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -114.01 120.68 41.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.94 139.18 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.791 0.437 . . . . 0.0 112.078 -165.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.66 142.72 45.19 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.987 1.315 . . . . 0.0 110.716 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -118.34 100.98 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -126.59 157.28 39.28 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 124.052 0.941 . . . . 0.0 110.874 -169.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -92.03 168.77 11.16 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -61.3 137.53 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.487 0.66 . . . . 0.0 111.241 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.65 -1.52 81.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.104 -0.831 . . . . 0.0 114.219 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.89 159.32 20.36 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.768 1.284 . . . . 0.0 112.285 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -127.33 143.63 51.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.273 1.029 . . . . 0.0 110.891 -169.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.0 mt -137.43 151.75 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.134 1.374 . . . . 0.0 109.223 -170.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -136.1 140.58 43.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.086 0.554 . . . . 0.0 111.729 -169.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.46 129.83 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.829 0.851 . . . . 0.0 109.759 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.59 -137.16 50.49 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -174.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.85 5.06 7.34 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.749 0.819 . . . . 0.0 112.656 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -112.54 -20.03 11.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.7 135.38 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 119.045 0.838 . . . . 0.0 111.474 -169.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -130.97 148.22 52.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 109.802 169.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.31 141.33 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.054 1.741 . . . . 0.0 108.059 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -133.48 128.03 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.743 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.9 tp -81.91 106.1 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 169.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -74.4 -32.64 62.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.992 -0.442 . . . . 0.0 110.78 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 167.87 21.47 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 122.844 0.259 . . . . 0.0 112.545 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.09 147.1 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 109.804 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -123.67 78.71 1.63 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.58 -119.3 4.96 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -174.11 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.8 10.44 38.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.925 0.49 . . . . 0.0 111.043 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -98.92 155.39 17.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.199 1.0 . . . . 0.0 110.087 173.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -137.14 104.88 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.02 115.2 21.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.218 1.007 . . . . 0.0 108.637 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.743 HG22 ' HA ' ' B' ' 22' ' ' ILE . 5.0 pt -133.11 139.71 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.354 0.662 . . . . 0.0 111.106 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.37 140.54 15.04 Favored Glycine 0 C--N 1.333 0.394 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.624 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -120.87 129.2 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -129.4 79.62 1.92 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.411 -167.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.32 157.35 72.87 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-N 113.919 -1.492 . . . . 0.0 109.354 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -59.32 154.5 46.43 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 121.598 1.532 . . . . 0.0 109.893 168.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -70.0 -0.91 8.34 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.822 0.849 . . . . 0.0 111.843 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.85 -24.43 66.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.883 1.673 . . . . 0.0 111.042 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.51 144.0 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.59 1.156 . . . . 0.0 109.687 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.26 141.24 28.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.241 0.543 . . . . 0.0 111.149 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.49 99.22 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.988 -166.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.44 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.5 OUTLIER -147.41 170.15 17.99 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 124.307 1.043 . . . . 0.0 111.228 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -76.92 161.78 28.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.191 -0.318 . . . . 0.0 111.496 169.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -52.03 -42.43 63.07 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 123.739 0.816 . . . . 0.0 112.462 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -47.99 -48.97 32.21 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.734 0.414 . . . . 0.0 110.89 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.23 -47.56 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.117 1.367 . . . . 0.0 110.135 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -49.84 -38.22 34.05 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.425 1.09 . . . . 0.0 111.73 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -68.28 -27.3 66.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -81.12 -38.12 27.76 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.244 0.929 . . . . 0.0 110.516 172.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 91.1 mt -63.59 -41.63 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -177.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -79.61 4.94 14.45 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 172.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.74 -19.23 49.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.275 0.489 . . . . 0.0 111.501 168.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.39 46.11 0.08 OUTLIER Glycine 0 C--N 1.339 0.71 0 CA-C-O 119.455 -0.636 . . . . 0.0 114.267 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.06 -175.55 2.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.941 0.871 . . . . 0.0 112.724 -168.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -125.09 177.23 6.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.159 1.384 . . . . 0.0 109.578 167.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.76 118.91 1.09 Allowed Pre-proline 0 N--CA 1.455 -0.191 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.3 Cg_exo -63.51 169.02 10.4 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.266 1.977 . . . . 0.0 114.582 -168.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 112.583 -179.473 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.52 111.35 22.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 167.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.38 134.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.035 0.934 . . . . 0.0 109.61 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -130.36 142.92 50.5 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.815 1.246 . . . . 0.0 109.972 172.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -106.64 141.44 37.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.802 0.441 . . . . 0.0 111.124 171.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -139.1 138.74 37.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.613 0.765 . . . . 0.0 110.957 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.4 tptm -74.64 156.17 37.0 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.15 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.06 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 119.283 0.947 . . . . 0.0 112.156 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.01 -5.69 81.82 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 125.096 1.331 . . . . 0.0 114.031 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -90.0 179.38 5.97 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.949 1.374 . . . . 0.0 112.168 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -141.63 158.91 43.24 Favored 'General case' 0 C--N 1.339 0.122 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -167.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.0 mt -139.36 156.44 26.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.568 2.347 . . . . 0.0 108.439 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -131.42 146.78 52.42 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.277 1.031 . . . . 0.0 111.751 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -132.56 131.22 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.433 1.093 . . . . 0.0 108.701 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -137.79 48.4 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -169.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -122.57 6.74 9.49 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.808 0.843 . . . . 0.0 111.753 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -120.44 -11.79 9.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.845 0.858 . . . . 0.0 112.842 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.37 133.48 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.505 0.722 . . . . 0.0 110.449 -176.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.86 141.26 52.07 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.399 1.08 . . . . 0.0 109.672 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.3 mm -119.48 136.83 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.829 1.252 . . . . 0.0 108.431 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -130.04 127.14 39.32 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.741 0.416 . . . . 0.0 110.183 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -79.88 108.59 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 168.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.429 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.5 mt -84.63 -33.66 23.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -175.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.34 -173.03 43.09 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 120.236 -0.202 . . . . 0.0 113.572 168.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.0 152.09 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.359 0.664 . . . . 0.0 110.909 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -141.95 99.14 3.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.492 1.117 . . . . 0.0 108.343 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.56 -124.65 15.89 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -94.27 -4.44 48.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.592 1.157 . . . . 0.0 112.109 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -80.86 151.13 28.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.879 0.847 . . . . 0.0 111.081 173.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.9 112.81 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.429 ' HG2' HD12 ' C' ' 23' ' ' LEU . 13.7 ttm180 -76.19 110.5 10.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 170.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -114.48 128.16 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.614 1.166 . . . . 0.0 109.301 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.35 140.61 15.08 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.818 0.723 . . . . 0.0 111.638 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.85 121.75 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.579 1.152 . . . . 0.0 108.463 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -115.91 103.01 10.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.245 0.618 . . . . 0.0 109.666 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.18 60.38 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.295 1.038 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -63.17 152.27 80.53 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.915 2.41 . . . . 0.0 111.231 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.59 -0.97 3.16 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.201 0.6 . . . . 0.0 112.551 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.92 -22.59 66.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.908 0.883 . . . . 0.0 111.064 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.68 146.53 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.432 1.093 . . . . 0.0 110.398 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.46 154.53 19.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.68 0.392 . . . . 0.0 111.233 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.75 131.51 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.038 0 C-N-CA 123.044 0.537 . . . . 0.0 110.183 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -157.32 159.31 37.38 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -66.2 147.81 52.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -61.14 -30.58 70.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.601 0.637 . . . . 0.0 112.426 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.88 -46.6 78.24 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.83 0.852 . . . . 0.0 111.651 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.92 -31.69 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.618 0.767 . . . . 0.0 110.561 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' TYR . . . . . 0.41 ' HA ' HG12 ' C' ' 51' ' ' ILE . 40.6 t80 -54.07 -36.55 63.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.84 0.856 . . . . 0.0 112.219 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.68 -30.42 71.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.957 0.503 . . . . 0.0 112.029 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -71.63 -34.78 70.08 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.615 0.766 . . . . 0.0 111.813 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' C' ' 48' ' ' TYR . 6.8 mm -59.91 -28.1 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 123.405 0.682 . . . . 0.0 110.394 175.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -99.49 2.0 44.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.521 1.128 . . . . 0.0 111.871 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.89 -4.99 54.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.104 0.961 . . . . 0.0 112.987 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.78 110.3 2.11 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.211 0.91 . . . . 0.0 111.209 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 79.5 mt -133.13 151.28 52.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.128 0.971 . . . . 0.0 110.733 -171.59 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 36.8 p -94.03 -13.46 26.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.388 0.675 . . . . 0.0 112.626 175.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.59 86.47 16.14 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 123.715 0.806 . . . . 0.0 110.972 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -64.36 152.63 80.67 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.943 2.428 . . . . 0.0 111.074 169.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 CA--C 1.531 0.243 0 C-N-CA 125.879 1.672 . . . . 0.0 115.27 170.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.498 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.1 tpp . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.7 113.81 24.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.537 1.535 . . . . 0.0 108.863 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.498 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.1 mp -104.44 137.53 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.775 1.23 . . . . 0.0 109.969 -176.743 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -132.72 167.35 20.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.242 1.417 . . . . 0.0 111.132 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.37 114.8 28.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 165.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.77 134.78 51.63 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.028 0.931 . . . . 0.0 110.314 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -92.37 157.12 16.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 119.102 0.864 . . . . 0.0 111.594 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.72 HG11 HG12 ' D' ' 25' ' ' VAL . 35.1 m -48.9 136.23 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.246 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.82 -6.28 79.53 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.538 1.066 . . . . 0.0 114.265 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.39 178.17 5.91 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.997 1.399 . . . . 0.0 112.523 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -136.9 161.4 36.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.075 0.95 . . . . 0.0 112.823 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -137.36 157.98 34.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.165 2.186 . . . . 0.0 108.397 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -123.37 149.83 44.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.461 0.704 . . . . 0.0 111.584 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.3 mt -134.61 129.22 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.742 1.217 . . . . 0.0 109.254 174.087 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.63 -133.69 44.41 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.04 9.46 5.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.641 0.776 . . . . 0.0 112.628 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.63 -19.51 6.83 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.48 132.03 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.827 0.739 . . . . 0.0 110.532 -171.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -121.92 145.29 48.24 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.863 0.865 . . . . 0.0 109.891 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -123.8 143.67 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.26 1.424 . . . . 0.0 108.289 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -137.25 128.12 27.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.362 0.665 . . . . 0.0 109.343 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.33 97.77 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.56 -32.81 68.52 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.058 0.543 . . . . 0.0 111.17 -169.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.06 -175.04 45.44 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-O 121.393 0.441 . . . . 0.0 113.047 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.72 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -135.35 129.57 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.445 1.098 . . . . 0.0 110.111 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -132.59 88.41 2.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.533 1.533 . . . . 0.0 108.739 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.78 -125.26 9.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 64.7 mm-40 -89.46 -11.21 43.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 117.276 0.538 . . . . 0.0 111.373 171.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.2 134.89 36.17 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.617 0.722 . . . . 0.0 110.774 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -119.13 122.15 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -95.76 107.25 19.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.963 0.905 . . . . 0.0 108.706 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.75 125.43 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.74 0.816 . . . . 0.0 109.835 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.03 136.22 13.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.17 142.62 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.855 0.862 . . . . 0.0 108.791 173.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -137.97 90.0 2.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.82 0.848 . . . . 0.0 108.903 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.47 154.74 62.88 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.706 1.202 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.41 148.94 88.8 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 121.991 1.794 . . . . 0.0 110.67 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.0 -4.79 10.56 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -68.22 -18.62 64.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.345 1.458 . . . . 0.0 112.441 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -125.61 159.58 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.863 0.865 . . . . 0.0 110.397 174.454 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.36 157.03 16.19 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.46 125.81 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.94 0.496 . . . . 0.0 109.98 168.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -148.56 165.63 30.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.478 0.711 . . . . 0.0 111.25 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.75 156.72 19.61 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 167.292 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -61.57 -31.53 71.58 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.457 0.571 . . . . 0.0 110.639 169.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -50.97 -50.34 58.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.355 1.462 . . . . 0.0 111.456 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -81.71 -40.54 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.182 0.993 . . . . 0.0 110.014 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -47.56 -39.66 17.06 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.24 1.416 . . . . 0.0 112.224 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.54 -31.42 66.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.498 1.119 . . . . 0.0 112.619 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -72.71 -34.67 67.28 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.527 0.603 . . . . 0.0 110.953 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.706 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.4 mp -73.12 -18.86 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.406 0.682 . . . . 0.0 109.609 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.8 mm100 -90.67 -23.4 20.77 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 172.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.08 -35.29 5.7 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -169.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.17 74.19 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 C-N-CA 125.879 1.704 . . . . 0.0 109.475 -169.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.823 ' H ' HD13 ' D' ' 55' ' ' LEU . 0.0 OUTLIER -68.57 144.88 54.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 126.978 2.111 . . . . 0.0 110.492 -168.379 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 56' ' ' THR . . . . . 0.6 HG22 ' C4 ' ' G' ' 7' ' ' ' C' 0.263 0.6 OUTLIER -139.64 16.99 2.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 175.185 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.69 95.6 7.05 Favored Pre-proline 0 N--CA 1.453 -0.289 0 O-C-N 121.72 -0.612 . . . . 0.0 109.969 169.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -66.19 173.99 6.61 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.119 2.546 . . . . 0.0 114.046 -173.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.881 0.872 . . . . 0.0 111.761 178.761 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 10.1 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 142.44 51.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.708 0.803 . . . . 0.0 109.75 169.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mm -118.86 123.17 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.036 0.935 . . . . 0.0 109.16 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.59 151.65 39.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.584 1.554 . . . . 0.0 110.278 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.405 HG22 ' HG3' ' F' ' 29' ' ' GLN . 0.7 OUTLIER -132.36 118.44 19.41 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 168.568 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.432 ' HG3' HD11 ' E' ' 12' ' ' ILE . 7.0 mmp_? -133.32 162.07 32.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.279 1.032 . . . . 0.0 110.214 -171.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -122.75 164.94 17.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.388 0.675 . . . . 0.0 110.667 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.35 138.3 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 CA-C-O 120.939 0.399 . . . . 0.0 111.972 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.63 84.11 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.946 0.784 . . . . 0.0 114.443 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -91.54 170.45 9.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.842 1.321 . . . . 0.0 111.792 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.2 m -135.05 155.24 51.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -170.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.432 HD11 ' HG3' ' E' ' 6' ' ' ARG . 30.0 mt -132.79 155.23 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.298 1.839 . . . . 0.0 107.876 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -139.01 145.26 39.44 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.596 -0.69 . . . . 0.0 112.189 -169.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 59.9 mt -134.49 138.1 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.528 1.131 . . . . 0.0 109.325 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.04 -133.23 50.96 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.55 9.98 7.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.465 1.106 . . . . 0.0 111.464 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.61 -9.55 1.41 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -169.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.51 135.0 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 119.023 0.829 . . . . 0.0 110.595 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 79.9 m -132.68 143.53 49.7 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.118 0.967 . . . . 0.0 110.406 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.1 mm -117.63 139.6 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.843 1.657 . . . . 0.0 107.924 173.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -135.68 124.27 23.66 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.975 0.51 . . . . 0.0 110.108 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.82 109.48 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.76 -31.11 61.68 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.189 -0.319 . . . . 0.0 110.309 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.7 179.44 29.11 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 123.432 0.539 . . . . 0.0 113.462 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 m -108.86 154.19 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.648 0.779 . . . . 0.0 112.041 -175.111 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.8 m -143.52 89.94 2.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.538 1.535 . . . . 0.0 108.499 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.22 -130.01 48.4 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -171.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -70.85 -18.13 62.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLN . . . . . 0.512 ' CG ' HG22 ' F' ' 5' ' ' THR . 12.0 tt0 -86.71 144.79 26.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.297 0.639 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 t -139.66 119.79 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -169.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -95.92 124.44 39.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.092 0.557 . . . . 0.0 109.666 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.25 130.82 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.254 0.622 . . . . 0.0 110.871 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.72 143.44 17.16 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.111 0.862 . . . . 0.0 111.549 171.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.93 124.9 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.911 1.284 . . . . 0.0 108.608 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -127.03 98.99 5.52 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.934 0.493 . . . . 0.0 109.724 -169.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.57 155.53 71.68 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.389 1.075 . . . . 0.0 110.736 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.68 159.34 37.52 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.984 2.456 . . . . 0.0 112.066 171.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -69.11 -0.84 6.4 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 123.349 0.66 . . . . 0.0 112.656 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.96 -23.0 67.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.706 1.202 . . . . 0.0 111.489 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.3 154.88 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.25 1.02 . . . . 0.0 110.568 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.47 155.79 19.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.475 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.01 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.789 0.435 . . . . 0.0 110.306 168.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -150.75 168.8 23.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.113 0.965 . . . . 0.0 110.278 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -78.6 161.32 27.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.762 -0.586 . . . . 0.0 109.968 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.55 -25.07 64.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -52.31 65.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.825 0.85 . . . . 0.0 111.806 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -75.82 -32.87 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.889 0.875 . . . . 0.0 109.838 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -55.88 -35.05 66.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.254 1.022 . . . . 0.0 112.716 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -68.19 -27.07 66.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.49 -23.0 61.72 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.691 0.796 . . . . 0.0 110.608 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -96.7 -47.4 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.945 0.898 . . . . 0.0 109.814 -170.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -71.15 3.0 3.85 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.29 -26.23 68.29 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.713 0.805 . . . . 0.0 112.37 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.51 29.59 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 CA-C-O 119.313 -0.715 . . . . 0.0 114.83 169.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -160.07 -173.48 4.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.291 1.045 . . . . 0.0 111.481 -169.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -127.7 -31.77 2.42 Favored 'General case' 0 N--CA 1.458 -0.04 0 C-N-CA 123.35 0.66 . . . . 0.0 111.878 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.9 126.8 28.57 Favored Pre-proline 0 N--CA 1.455 -0.223 0 C-N-CA 123.659 0.784 . . . . 0.0 110.096 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -49.94 144.17 22.16 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.354 2.703 . . . . 0.0 114.101 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 CA--C 1.53 0.179 0 C-N-CA 125.831 1.652 . . . . 0.0 115.126 169.376 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.92 151.03 20.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.054 0.541 . . . . 0.0 111.505 173.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.75 122.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.22 150.48 32.28 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.67 1.588 . . . . 0.0 108.759 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 5' ' ' THR . . . . . 0.512 HG22 ' CG ' ' E' ' 29' ' ' GLN . 2.8 m -130.44 102.27 6.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.917 0.326 . . . . 0.0 110.715 171.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.42 ' CZ ' HG21 ' F' ' 22' ' ' ILE . 0.0 OUTLIER -134.72 162.17 33.08 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.457 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -100.01 171.17 8.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -61.74 142.85 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.867 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.87 -1.96 84.9 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 123.746 0.689 . . . . 0.0 113.998 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -91.12 -178.97 5.32 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.323 1.049 . . . . 0.0 111.516 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -146.59 153.31 40.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.782 0.833 . . . . 0.0 111.688 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.58 151.85 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.367 1.467 . . . . 0.0 108.447 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -127.28 150.03 49.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.576 -0.703 . . . . 0.0 112.607 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.8 mt -136.03 141.9 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.559 1.144 . . . . 0.0 108.979 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.86 -136.92 49.84 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -121.35 10.08 10.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.327 1.051 . . . . 0.0 111.508 175.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.79 -23.8 0.77 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -169.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.38 136.39 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 119.05 0.841 . . . . 0.0 110.45 -172.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -128.24 136.82 51.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.264 1.026 . . . . 0.0 110.191 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -112.02 140.33 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.959 1.304 . . . . 0.0 108.085 169.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -134.92 135.97 41.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.774 0.829 . . . . 0.0 109.659 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 22' ' ' ILE . . . . . 0.42 HG21 ' CZ ' ' F' ' 6' ' ' ARG . 1.4 tp -96.57 116.53 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.92 -27.0 28.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.885 0.474 . . . . 0.0 110.542 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.36 -171.71 30.22 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.273 0.463 . . . . 0.0 113.118 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -125.06 159.71 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.258 0.623 . . . . 0.0 112.29 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 20.2 t -148.28 89.94 1.76 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.824 1.25 . . . . 0.0 108.842 169.369 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 -122.63 29.82 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -73.13 -15.84 61.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' E' ' 5' ' ' THR . 9.6 tt0 -86.39 141.89 28.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 110.808 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.4 113.14 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 126.764 2.026 . . . . 0.0 106.637 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.75 128.17 37.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.625 0.77 . . . . 0.0 108.952 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.29 142.2 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.995 0.918 . . . . 0.0 110.879 -166.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.3 143.11 16.39 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.498 1.046 . . . . 0.0 110.919 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -129.7 135.25 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.134 0.973 . . . . 0.0 108.996 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -134.86 109.22 8.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.602 0.761 . . . . 0.0 109.755 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.32 157.76 74.84 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 123.742 0.817 . . . . 0.0 111.625 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -66.85 162.12 39.12 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.047 2.498 . . . . 0.0 112.148 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -64.15 -16.39 61.78 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.227 1.011 . . . . 0.0 112.752 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.8 -16.74 64.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.133 1.373 . . . . 0.0 112.67 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.36 165.08 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 111.189 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.88 164.03 12.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.248 0.619 . . . . 0.0 111.734 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.07 127.85 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.655 0.782 . . . . 0.0 110.344 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.85 169.1 24.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.075 0.95 . . . . 0.0 110.98 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -87.42 165.43 15.57 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 167.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -22.52 65.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.67 -40.49 88.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.295 0.638 . . . . 0.0 111.131 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.32 -37.93 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.288 0.635 . . . . 0.0 109.303 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 48' ' ' TYR . . . . . 0.48 ' HA ' HG12 ' F' ' 51' ' ' ILE . 66.3 t80 -55.22 -35.65 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.662 0.785 . . . . 0.0 112.668 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -67.09 -22.0 65.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.428 0.691 . . . . 0.0 112.249 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -85.07 -23.01 28.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.363 0.665 . . . . 0.0 111.446 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.6 mm -69.06 -57.07 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.627 0.771 . . . . 0.0 109.359 171.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -76.54 3.03 12.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.816 0.846 . . . . 0.0 112.36 -170.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.06 -25.2 66.77 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.138 0.975 . . . . 0.0 112.455 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.05 30.73 0.03 OUTLIER Glycine 0 CA--C 1.525 0.684 0 CA-C-O 119.366 -0.686 . . . . 0.0 114.495 169.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.17 -174.0 4.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.281 1.04 . . . . 0.0 111.696 -169.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 15.3 m -139.66 143.39 37.12 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.957 0.903 . . . . 0.0 109.627 169.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 49.53 79.73 0.33 Allowed Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 125.444 1.498 . . . . 0.0 113.075 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.81 161.44 12.71 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.349 2.699 . . . . 0.0 114.49 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 125.707 1.603 . . . . 0.0 113.127 176.482 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O4'-C1'-N19 112.062 3.862 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.989 3.789 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.034 1 O4'-C1'-N19 112.891 4.691 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 112.088 3.888 . 0.227 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.755 3.555 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-O4' 114.684 3.917 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.706 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.038 1 O4'-C1'-N19 112.274 4.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.601 3.445 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 O4'-C1'-N19 110.57 2.37 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.286 0 C5'-C4'-C3' 110.384 -3.41 . 0.21 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 O4'-C1'-N19 111.384 3.184 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C5'-C4'-C3' 111.8 -2.467 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 C5'-C4'-C3' 108.844 -4.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 100.574 -2.126 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.744 3.544 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 0 O4'-C1'-N19 111.593 3.393 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.554 3.354 . 0.868 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 N19-C1'-C2' 109.574 -2.391 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 110.88 2.68 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 112.157 3.957 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 1 O4'-C1'-N19 112.439 4.239 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O4'-C1'-N19 110.667 2.467 . 0.115 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 113.013 4.813 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 112.032 3.832 . 0.46 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 N19-C1'-C2' 108.062 -3.336 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 C4'-C3'-C2' 99.518 -3.182 . 0.391 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.44 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 111.887 -2.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.361 0 C3'-C2'-C1' 99.569 -2.145 . 0.054 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 111.55 -2.634 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 C5'-C4'-C3' 109.265 -4.157 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 P-O3'-C3' 125.123 4.52 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.205 3.005 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 O4'-C1'-N19 112.49 4.29 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C4'-C3'-C2' 99.188 -3.512 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 110.989 2.789 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 111.42 3.22 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O4'-C1'-N19 111.967 3.767 . 0.083 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 112.138 3.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 0 C3'-C2'-C1' 104.125 2.917 . 0.201 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 1 O4'-C1'-N19 113.205 5.005 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 C5'-C4'-C3' 108.674 -4.551 . 0.023 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.3 4.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 1 O4'-C1'-N19 112.671 4.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.98 1 O4'-C1'-N19 112.562 4.362 . 0.074 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 1 O4'-C1'-N19 112.652 4.452 . 0.352 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.053 2.853 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 112.125 3.925 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C3'-C2'-C1' 104.977 3.863 . 0.223 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . 0.421 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C4'-C3'-C2' 99.628 -3.072 . 0.012 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 111.421 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 C5'-C4'-C3' 111.051 -2.966 . 0.423 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 1 O5'-C5'-C4' 116.932 4.808 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 110.221 2.021 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 112.676 4.476 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.248 -2.452 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.046 2.846 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 O4'-C1'-N19 111.608 3.408 . 0.09 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 112.102 3.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.201 4.001 . 0.069 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 O4'-C1'-N19 111.289 3.089 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 O4'-C1'-N19 111.566 3.366 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.922 3.722 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C3'-C2'-C1' 104.619 3.466 . 0.166 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C4'-C3'-C2' 99.671 -3.029 . 0.086 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C4'-C3' 108.883 2.416 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.469 0 C5'-C4'-C3' 110.912 -3.059 . 0.162 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.334 2 C5'-C4'-C3' 105.561 -6.626 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 1 P-O3'-C3' 125.768 5.057 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 110.882 2.682 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 1 O4'-C1'-N19 112.775 4.575 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 110.993 2.793 . 0.237 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O4'-C1'-N19 111.23 3.03 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.57 116.42 30.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 109.603 -176.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.4 135.27 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.717 0.807 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.7 mt -133.69 159.6 40.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.594 1.158 . . . . 0.0 109.295 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.6 m -124.99 100.99 6.84 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -106.46 136.37 46.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.301 0.64 . . . . 0.0 110.835 -172.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -94.57 156.14 16.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -61.37 129.59 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.586 -169.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.25 -6.31 53.29 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.486 1.041 . . . . 0.0 114.16 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.78 169.57 10.37 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.823 1.312 . . . . 0.0 112.086 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -138.83 149.34 44.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -168.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 32.1 mm -113.97 152.03 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 125.525 1.53 . . . . 0.0 109.885 169.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -123.43 136.08 54.43 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.751 1.221 . . . . 0.0 109.701 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.57 130.26 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.256 1.022 . . . . 0.0 109.425 -172.395 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.1 24.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -129.99 0.83 4.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.041 0.936 . . . . 0.0 111.847 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -138.81 -9.11 1.38 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -114.26 138.73 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 118.973 0.806 . . . . 0.0 110.431 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -135.36 149.94 49.82 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.513 0.725 . . . . 0.0 109.185 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 mm -130.3 139.56 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.036 1.334 . . . . 0.0 107.925 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.1 m -135.28 128.7 32.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.02 101.81 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -31.58 66.14 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.617 -0.677 . . . . 0.0 110.394 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.44 -171.6 40.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.451 0.94 . . . . 0.0 115.451 165.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.39 146.45 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.377 1.071 . . . . 0.0 111.892 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -137.57 60.92 1.62 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.297 1.439 . . . . 0.0 110.014 -176.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.63 -128.45 8.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -76.37 -15.56 59.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.309 0.555 . . . . 0.0 111.964 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 3.0 pt20 -98.79 148.6 23.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 122.411 1.101 . . . . 0.0 112.7 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.3 121.08 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.432 1.893 . . . . 0.0 109.573 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpp85 -83.57 107.32 15.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.351 . . . . 0.0 111.652 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mt -107.49 139.2 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.577 1.551 . . . . 0.0 109.229 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.59 139.75 15.45 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.081 0.848 . . . . 0.0 111.662 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.51 138.88 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.947 1.299 . . . . 0.0 108.906 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -124.62 74.97 1.37 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.229 1.412 . . . . 0.0 109.395 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.24 153.51 51.56 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.833 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.94 157.17 43.2 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.661 2.241 . . . . 0.0 110.806 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.55 -3.57 9.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.89 -31.01 71.69 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.059 0.944 . . . . 0.0 111.706 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -119.62 143.97 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-O 121.856 0.836 . . . . 0.0 111.483 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 143.04 36.94 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.848 0.859 . . . . 0.0 111.194 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -132.23 119.03 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.54 0.736 . . . . 0.0 109.35 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.42 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 95.6 m-70 -151.27 154.33 36.58 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.968 0.507 . . . . 0.0 111.251 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 163.72 23.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.175 -0.328 . . . . 0.0 111.651 169.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -60.15 -34.76 74.0 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -80.24 1.59 27.84 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.449 -0.782 . . . . 0.0 112.674 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 4.8 mt -125.57 -7.95 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.052 1.341 . . . . 0.0 110.893 175.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -80.05 -39.64 29.39 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 120.379 -1.451 . . . . 0.0 110.798 170.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.48 -14.94 60.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.038 0.535 . . . . 0.0 112.225 -172.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 18.8 ptp180 -82.37 -23.4 35.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 111.697 171.542 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.877 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.9 mt -77.76 -49.38 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.399 0.68 . . . . 0.0 109.789 175.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -77.88 5.12 10.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.352 0.661 . . . . 0.0 111.526 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.83 76.37 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.722 0.809 . . . . 0.0 112.126 172.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.87 46.6 0.01 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 123.27 0.462 . . . . 0.0 112.566 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 51' ' ' ILE . 25.2 mt -118.52 173.88 6.58 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.676 1.19 . . . . 0.0 108.474 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t 47.81 32.27 2.61 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.193 1.397 . . . . 0.0 113.941 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.01 160.36 49.51 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.407 1.083 . . . . 0.0 111.346 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.97 -17.18 41.27 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.192 2.595 . . . . 0.0 112.864 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 123.267 0.627 . . . . 0.0 111.088 -169.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.44 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 34.2 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.631 -0.224 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.54 120.69 41.86 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.478 HD11 " H5'" ' G' ' 52' ' ' ' A' . 51.5 mt -116.71 134.0 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.236 0.614 . . . . 0.0 111.499 -165.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -138.81 148.04 43.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.077 1.351 . . . . 0.0 110.686 -169.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.9 m -111.81 120.2 41.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.82 124.49 43.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 110.434 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 36.8 ttpt -88.02 151.98 22.37 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.54 133.98 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-O 121.221 0.534 . . . . 0.0 111.742 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.34 -11.63 68.72 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.131 -0.816 . . . . 0.0 114.484 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -84.1 168.98 15.35 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.854 1.327 . . . . 0.0 111.763 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -138.61 156.78 47.16 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -168.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -129.46 148.29 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 C-N-CA 126.93 2.092 . . . . 0.0 108.956 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -121.16 146.18 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.294 1.038 . . . . 0.0 110.249 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -133.83 129.11 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.868 0.867 . . . . 0.0 110.093 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -134.86 51.38 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.33 5.06 6.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.768 0.827 . . . . 0.0 112.833 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -115.59 -17.98 11.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.99 133.27 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 119.363 0.983 . . . . 0.0 111.453 -169.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -127.24 146.89 50.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.449 1.1 . . . . 0.0 109.785 169.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -129.83 142.06 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.412 1.485 . . . . 0.0 108.367 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -138.45 130.99 29.07 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.034 0.533 . . . . 0.0 110.415 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.05 106.8 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -73.12 -34.06 65.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.95 -0.469 . . . . 0.0 110.615 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.71 171.83 27.18 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.13 147.49 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 121.196 0.522 . . . . 0.0 109.905 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -125.82 74.68 1.44 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.302 1.041 . . . . 0.0 108.613 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -122.03 5.62 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -95.52 8.69 42.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.15 -0.618 . . . . 0.0 111.089 172.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -98.97 158.01 15.94 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.176 0.99 . . . . 0.0 109.807 169.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 t -140.98 114.7 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.879 -170.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -83.02 116.71 22.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 109.843 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.45 131.24 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.423 1.089 . . . . 0.0 109.628 -171.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.49 138.17 13.77 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 111.564 -0.615 . . . . 0.0 111.564 172.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -123.12 132.83 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.923 0.889 . . . . 0.0 109.293 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -133.04 79.2 1.83 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.186 -168.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.96 157.61 68.68 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.942 -1.481 . . . . 0.0 109.584 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.37 157.66 34.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.088 1.859 . . . . 0.0 111.67 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -68.99 -0.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.194 0.998 . . . . 0.0 112.2 168.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.85 -25.1 67.04 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.121 1.369 . . . . 0.0 111.306 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -114.36 144.07 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.58 1.152 . . . . 0.0 110.298 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.55 143.05 27.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.297 0.57 . . . . 0.0 111.344 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.24 97.49 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.313 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.461 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -144.61 163.46 33.86 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.923 0.889 . . . . 0.0 111.275 178.612 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.8 ptt-85 -66.26 158.01 30.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.325 -0.234 . . . . 0.0 110.909 169.264 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -54.37 -37.4 64.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.39 0.676 . . . . 0.0 112.394 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.46 -46.52 48.08 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.196 0.453 . . . . 0.0 111.182 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.91 -47.14 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 125.338 1.455 . . . . 0.0 110.035 -172.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -50.1 -36.94 31.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.248 1.019 . . . . 0.0 111.793 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.96 -23.84 64.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -83.92 -38.14 21.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 119.23 0.923 . . . . 0.0 110.913 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.2 mt -63.57 -41.23 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -79.4 5.06 13.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 173.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.2 -19.14 47.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.946 0.498 . . . . 0.0 111.456 168.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.93 45.88 0.08 OUTLIER Glycine 0 C--N 1.339 0.697 0 CA-C-O 119.45 -0.639 . . . . 0.0 114.482 168.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.97 -175.98 2.5 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.926 0.863 . . . . 0.0 112.993 -168.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -125.79 177.49 6.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.588 1.555 . . . . 0.0 109.191 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.5 119.14 1.06 Allowed Pre-proline 0 CA--C 1.53 0.21 0 C-N-CA 124.833 1.253 . . . . 0.0 112.176 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 50.6 Cg_exo -71.35 -179.35 3.54 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.649 1.566 . . . . 0.0 114.419 -169.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.557 -176.197 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.426 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.26 102.8 9.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 166.389 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.9 133.22 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 123.646 0.779 . . . . 0.0 109.437 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -129.97 139.14 51.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.415 1.086 . . . . 0.0 109.555 169.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -101.22 146.25 27.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.265 0.555 . . . . 0.0 110.603 169.142 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -138.17 143.79 40.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.333 0.653 . . . . 0.0 109.97 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 0.5 OUTLIER -80.89 154.75 26.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 167.615 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.26 134.14 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 O-C-N 121.512 -0.742 . . . . 0.0 111.431 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -4.79 77.3 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.529 1.062 . . . . 0.0 114.173 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -88.05 175.89 7.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.212 1.506 . . . . 0.0 112.073 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -137.83 158.26 44.72 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -167.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mt -139.33 156.35 26.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.624 2.37 . . . . 0.0 108.801 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -129.5 146.15 51.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.854 1.262 . . . . 0.0 111.377 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -135.16 138.02 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.467 1.107 . . . . 0.0 109.893 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.83 -132.5 51.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -130.0 10.04 5.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.808 0.843 . . . . 0.0 110.976 169.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.6 -10.73 3.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.483 1.113 . . . . 0.0 112.654 -170.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.72 134.49 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.484 0.713 . . . . 0.0 110.398 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.8 m -125.08 144.56 50.35 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.777 0.831 . . . . 0.0 109.722 174.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -126.22 140.45 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 108.524 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -136.67 131.73 34.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.946 -0.471 . . . . 0.0 110.639 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.35 110.43 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.77 -34.19 21.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.53 -171.02 41.99 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 121.965 -0.159 . . . . 0.0 113.307 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 m -120.38 152.84 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.319 0.648 . . . . 0.0 110.933 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -134.11 80.54 1.87 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.889 1.275 . . . . 0.0 108.184 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 -113.84 4.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.061 -1.215 . . . . 0.0 110.061 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.84 -5.74 37.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.978 0.911 . . . . 0.0 112.388 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.14 154.83 26.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.914 0.486 . . . . 0.0 110.129 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -129.53 120.79 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -81.81 114.96 20.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mt -120.25 128.61 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.315 1.446 . . . . 0.0 108.972 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.26 139.64 14.5 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.334 0.969 . . . . 0.0 111.906 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.5 mt -126.82 120.07 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.469 1.108 . . . . 0.0 108.952 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -114.03 102.48 10.22 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.535 0.734 . . . . 0.0 109.703 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.21 155.04 72.62 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.958 0.903 . . . . 0.0 110.395 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.73 153.16 79.11 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.942 2.428 . . . . 0.0 111.24 172.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.75 -0.85 3.23 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.07 -23.26 66.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.302 1.041 . . . . 0.0 111.211 169.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.51 149.58 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.259 1.023 . . . . 0.0 110.712 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 153.11 21.96 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.72 0.408 . . . . 0.0 111.243 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.37 132.1 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.64 154.63 33.28 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.014 0.526 . . . . 0.0 111.517 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -72.2 165.15 24.98 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 166.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -64.17 -30.99 72.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -169.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -47.52 84.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.907 0.883 . . . . 0.0 111.689 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -86.31 -31.53 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.014 0.526 . . . . 0.0 110.521 -172.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -51.66 -37.47 50.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.785 0.834 . . . . 0.0 112.324 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.95 -30.55 67.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.704 0.801 . . . . 0.0 112.572 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -69.2 -37.15 77.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.689 0.796 . . . . 0.0 111.751 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' C' ' 55' ' ' LEU . 3.5 mp -68.88 -18.93 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.011 0.524 . . . . 0.0 110.155 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -98.27 2.16 47.94 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.927 0.891 . . . . 0.0 113.164 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.32 4.05 22.03 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.3 31.02 29.09 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 118.92 0.782 . . . . 0.0 112.057 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' C' ' 51' ' ' ILE . 0.7 OUTLIER -59.03 165.13 2.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.927 1.691 . . . . 0.0 113.456 173.459 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 31.8 p -73.16 155.09 39.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.529 0.731 . . . . 0.0 112.016 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 46.06 72.5 1.22 Allowed Pre-proline 0 CA--C 1.531 0.213 0 C-N-CA 125.468 1.507 . . . . 0.0 113.341 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.13 175.67 3.75 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.086 2.524 . . . . 0.0 113.24 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.455 -0.199 0 C-N-CA 124.034 0.934 . . . . 0.0 112.698 176.898 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.523 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.4 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.0 110.34 20.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.55 1.14 . . . . 0.0 109.465 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -103.46 141.04 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.073 1.349 . . . . 0.0 110.072 -176.547 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt -139.2 165.17 27.88 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 125.037 1.335 . . . . 0.0 111.814 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.06 113.79 24.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.008 0.923 . . . . 0.0 108.778 165.481 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -117.88 143.81 45.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.114 0.565 . . . . 0.0 109.979 169.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.32 163.5 21.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.27 0.557 . . . . 0.0 110.792 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -52.21 135.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.826 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.51 78.72 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.299 0.952 . . . . 0.0 114.285 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -103.51 174.93 5.65 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.896 1.348 . . . . 0.0 112.237 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -133.16 157.63 44.86 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -140.72 162.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 C-N-CA 126.549 1.94 . . . . 0.0 108.597 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -138.66 147.84 43.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.46 1.104 . . . . 0.0 112.039 -172.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.5 137.23 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.785 1.234 . . . . 0.0 109.118 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.98 51.32 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -124.33 7.95 8.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 111.811 172.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -133.24 -8.88 2.96 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.64 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.875 0.761 . . . . 0.0 110.625 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 73.9 m -132.16 144.86 50.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.323 1.049 . . . . 0.0 110.001 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -123.88 140.25 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.412 1.485 . . . . 0.0 108.303 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -132.75 123.77 26.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.19 108.12 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -78.55 -33.16 48.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.247 0.619 . . . . 0.0 110.527 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.82 -175.95 41.35 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 112.774 -0.13 . . . . 0.0 112.774 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.96 160.27 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.994 0.517 . . . . 0.0 110.649 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -144.0 78.03 1.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.75 0.82 . . . . 0.0 108.91 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 -114.86 3.97 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.429 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 71.6 mt-30 -90.58 -9.42 47.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.537 0.735 . . . . 0.0 110.761 173.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.68 150.85 42.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.652 0.739 . . . . 0.0 111.466 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.48 112.11 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -91.98 111.48 23.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.509 1.124 . . . . 0.0 108.555 -175.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -120.35 123.95 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.637 0.775 . . . . 0.0 110.275 -169.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.21 136.17 13.74 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' C' ' 1' ' ' MET . 65.3 mt -126.51 139.5 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -138.08 100.5 4.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -171.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.05 155.49 80.05 Favored Pre-proline 0 N--CA 1.451 -0.408 0 C-N-CA 124.402 1.081 . . . . 0.0 109.733 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.3 151.34 83.0 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.308 2.005 . . . . 0.0 110.87 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.13 -2.14 7.36 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -22.47 66.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.631 1.172 . . . . 0.0 111.407 168.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.62 159.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.293 1.037 . . . . 0.0 110.789 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.4 157.12 16.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 112.274 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.17 127.02 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 O-C-N 121.682 -0.636 . . . . 0.0 110.615 168.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -151.06 167.48 27.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.989 0.916 . . . . 0.0 111.243 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -65.11 156.28 32.13 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.56 -34.95 74.91 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-N 119.305 0.957 . . . . 0.0 111.565 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -55.73 -34.12 64.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.482 0.713 . . . . 0.0 112.27 173.442 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 38.4 mm -94.73 -38.2 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.061 1.344 . . . . 0.0 110.337 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.58 -43.21 75.76 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.76 0.424 . . . . 0.0 110.103 169.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.25 -22.23 64.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 11.3 mtt85 -75.85 -40.1 55.37 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.857 0.863 . . . . 0.0 110.996 169.878 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.45 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 77.8 mt -70.35 -30.97 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -84.11 1.9 41.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.669 1.188 . . . . 0.0 110.85 173.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -87.2 3.71 45.38 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.814 1.246 . . . . 0.0 112.77 173.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.93 40.69 0.97 Allowed Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.287 -0.729 . . . . 0.0 114.916 169.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -159.76 179.9 8.43 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.435 1.117 . . . . 0.0 112.48 -169.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 40.2 m -107.14 -68.21 0.9 Allowed 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.504 168.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.99 86.68 1.2 Allowed Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 123.698 0.799 . . . . 0.0 111.11 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -68.81 172.47 11.64 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 122.884 2.389 . . . . 0.0 113.846 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.454 -0.267 0 C-N-CA 124.093 0.957 . . . . 0.0 112.215 175.095 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpt . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 118.523 2.786 . . . . 0.0 118.523 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 137.57 34.68 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.801 2.041 . . . . 0.0 107.093 163.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.53 129.89 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.483 0.713 . . . . 0.0 109.603 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.7 159.14 25.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.269 1.828 . . . . 0.0 110.276 -174.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -143.57 110.33 5.58 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 167.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.423 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.1 mmp_? -133.57 141.06 47.52 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.202 1.001 . . . . 0.0 110.279 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 7' ' ' LYS . . . . . 0.409 ' HE3' ' OE1' ' F' ' 29' ' ' GLN . 9.5 ptpp? -94.52 167.46 11.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -56.79 136.36 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.225 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.51 -5.51 83.8 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.124 -0.82 . . . . 0.0 114.307 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -89.88 170.52 10.32 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.88 1.34 . . . . 0.0 111.71 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -137.75 162.88 32.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.591 0.71 . . . . 0.0 112.781 -169.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.423 HD11 ' HG3' ' E' ' 6' ' ' ARG . 28.5 mt -151.92 156.68 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.807 2.043 . . . . 0.0 108.285 -168.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -141.18 152.97 45.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 32.6 mt -137.4 137.54 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.908 1.283 . . . . 0.0 108.883 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.46 -137.61 48.8 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.796 -0.521 . . . . 0.0 111.796 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -124.68 10.04 8.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.334 1.054 . . . . 0.0 111.473 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -138.56 -8.0 1.47 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.54 136.21 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.911 0.778 . . . . 0.0 110.726 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.8 m -130.29 143.84 51.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.472 1.109 . . . . 0.0 110.151 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -125.95 138.22 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.275 1.43 . . . . 0.0 108.328 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 78.4 m -135.16 129.47 33.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.05 0.54 . . . . 0.0 109.873 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.1 111.13 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.92 -32.39 51.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.023 0.529 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.05 -171.3 35.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 123.592 0.615 . . . . 0.0 113.399 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 m -123.05 159.68 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 123.873 0.869 . . . . 0.0 112.111 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -147.14 89.84 1.84 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.132 1.373 . . . . 0.0 109.012 169.408 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.19 -113.32 4.85 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -91.4 -20.52 21.71 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.466 0.633 . . . . 0.0 111.786 175.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -71.67 136.3 47.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.552 0.741 . . . . 0.0 109.534 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.63 117.98 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -95.04 107.63 19.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.416 1.486 . . . . 0.0 107.372 -171.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.9 135.98 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.847 0.859 . . . . 0.0 110.959 -167.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.86 142.17 15.81 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.227 0.918 . . . . 0.0 111.689 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -132.4 132.57 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.565 1.546 . . . . 0.0 108.626 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -134.67 101.47 4.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.44 155.25 77.17 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.682 1.193 . . . . 0.0 110.515 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 157.03 45.35 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.87 2.38 . . . . 0.0 112.149 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.11 -0.93 10.73 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.91 -23.32 66.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.453 1.101 . . . . 0.0 111.702 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.01 157.63 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 110.527 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.49 157.93 16.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.871 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 42' ' ' VAL . . . . . 0.429 HG13 HD12 ' F' ' 2' ' ' LEU . 0.4 OUTLIER -155.03 127.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.99 0.516 . . . . 0.0 110.345 169.529 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -150.11 169.38 21.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.63 1.172 . . . . 0.0 109.258 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 44' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 27.0 ptt-85 -81.59 165.8 20.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.654 -0.654 . . . . 0.0 110.731 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.39 -28.21 69.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -169.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.44 -45.07 89.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.332 1.053 . . . . 0.0 111.94 173.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.58 -34.61 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 123.73 0.812 . . . . 0.0 109.768 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -53.21 -30.96 40.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.305 1.042 . . . . 0.0 112.867 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -59.72 -21.83 61.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.992 1.317 . . . . 0.0 113.089 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.03 -52.58 9.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.367 0.667 . . . . 0.0 111.643 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.49 -63.02 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 127.367 2.267 . . . . 0.0 113.719 -168.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.36 2.91 19.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.097 0.959 . . . . 0.0 113.206 -170.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.54 -5.71 51.07 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.279 0.632 . . . . 0.0 112.613 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.74 24.38 0.6 Allowed Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.01 0.814 . . . . 0.0 113.267 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -99.52 -141.32 0.32 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.93 0.892 . . . . 0.0 110.052 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p 54.81 6.71 0.13 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 127.551 2.34 . . . . 0.0 114.736 -169.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.9 134.41 10.88 Favored Pre-proline 0 N--CA 1.45 -0.443 0 C-N-CA 125.588 1.555 . . . . 0.0 108.381 169.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -63.78 174.41 3.79 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.557 2.171 . . . . 0.0 113.913 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 124.533 1.133 . . . . 0.0 112.769 177.026 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 2' ' ' LEU . . . . . 0.429 HD12 HG13 ' E' ' 42' ' ' VAL . 7.1 mt -96.77 150.38 20.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.775 0.43 . . . . 0.0 111.4 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -130.25 137.98 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -131.79 159.94 37.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.526 1.13 . . . . 0.0 110.261 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.79 96.96 5.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -106.54 131.6 53.52 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.952 1.701 . . . . 0.0 109.428 -174.065 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -98.21 167.77 10.66 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 120.364 1.438 . . . . 0.0 113.072 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -55.99 135.79 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.987 -171.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.64 77.26 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.305 0.955 . . . . 0.0 113.764 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -95.54 174.64 6.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.477 1.138 . . . . 0.0 111.948 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -136.33 159.57 41.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 61.1 mt -137.73 157.48 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.416 1.886 . . . . 0.0 108.536 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -133.21 148.15 52.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 112.311 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.83 139.56 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.347 1.059 . . . . 0.0 109.062 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.14 -134.73 52.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -128.26 10.08 6.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.135 0.974 . . . . 0.0 112.366 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.32 -15.76 4.06 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -106.85 136.34 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.089 0.859 . . . . 0.0 110.746 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -132.49 141.48 48.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.449 1.1 . . . . 0.0 110.09 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -122.29 143.05 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.404 1.482 . . . . 0.0 108.376 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -136.38 129.8 31.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.244 0.617 . . . . 0.0 110.05 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 22' ' ' ILE . . . . . 0.41 HG22 ' H ' ' F' ' 22' ' ' ILE . 1.7 tp -85.87 107.52 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.18 -29.23 42.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.801 -0.562 . . . . 0.0 111.418 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.8 35.72 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 123.0 0.334 . . . . 0.0 113.431 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.2 156.28 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 123.279 0.632 . . . . 0.0 111.679 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -150.07 106.72 3.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.379 1.072 . . . . 0.0 108.766 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.5 -117.7 7.92 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -96.31 -13.81 23.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 117.294 0.547 . . . . 0.0 111.51 171.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 29' ' ' GLN . . . . . 0.409 ' OE1' ' HE3' ' E' ' 7' ' ' LYS . 3.5 mp0 -76.54 144.89 39.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.762 0.792 . . . . 0.0 109.869 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.7 t -131.14 115.65 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -87.08 130.12 34.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.861 0.864 . . . . 0.0 108.943 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -135.22 143.76 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.366 0.666 . . . . 0.0 110.787 -167.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.4 137.16 13.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -125.39 134.85 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.259 1.024 . . . . 0.0 108.77 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -136.58 102.62 4.98 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.023 0.529 . . . . 0.0 110.098 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.47 159.24 73.34 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.102 0.961 . . . . 0.0 111.157 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.81 162.76 27.34 Favored 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 122.855 2.37 . . . . 0.0 112.106 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.43 -7.52 19.95 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.755 0.822 . . . . 0.0 112.783 169.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.9 -22.06 66.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.565 1.546 . . . . 0.0 112.342 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -128.01 161.78 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.046 0.938 . . . . 0.0 111.125 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 163.67 13.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.132 0.573 . . . . 0.0 111.485 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.0 120.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.52 0.728 . . . . 0.0 110.113 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -153.61 173.99 15.05 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.905 0.882 . . . . 0.0 110.441 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 159.68 28.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.63 -20.91 66.49 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -169.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.64 -43.37 84.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.693 0.797 . . . . 0.0 111.717 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mm -86.63 -30.8 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 123.547 0.739 . . . . 0.0 109.638 -174.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 48' ' ' TYR . . . . . 0.503 ' HA ' HG12 ' F' ' 51' ' ' ILE . 73.6 t80 -53.63 -34.81 59.81 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.842 0.857 . . . . 0.0 112.814 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.75 -21.88 66.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.545 0.738 . . . . 0.0 112.403 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.75 -25.13 28.48 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.329 0.652 . . . . 0.0 111.045 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' F' ' 48' ' ' TYR . 4.7 mm -66.34 -55.02 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.617 0.767 . . . . 0.0 109.556 171.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -76.67 3.1 12.34 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.866 0.866 . . . . 0.0 112.514 -170.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.09 -12.14 59.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.493 1.117 . . . . 0.0 113.399 170.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.77 31.27 0.16 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-O 119.673 -0.515 . . . . 0.0 113.92 169.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -156.89 -174.17 4.8 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.985 0.914 . . . . 0.0 111.031 -169.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 6.9 m -126.42 -35.55 2.37 Favored 'General case' 0 N--CA 1.458 -0.066 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 170.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 57' ' ' ALA . . . . . 0.684 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -151.81 -29.64 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.365 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -169.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 58' ' ' PRO . . . . . 0.684 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 40.7 Cg_exo -71.39 177.29 6.87 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 CA-C-N 121.195 1.462 . . . . 0.0 113.873 -176.16 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 N--CA 1.453 -0.291 0 C-N-CA 124.599 1.16 . . . . 0.0 112.67 -178.745 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.808 3.608 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 O4'-C1'-N19 111.53 3.33 . 0.365 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 O4'-C1'-N19 112.611 4.411 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 O4'-C1'-N19 111.913 3.713 . 0.126 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 O4'-C1'-N19 111.554 3.354 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-O4' 114.827 4.019 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.207 4.007 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C3'-C2'-C1' 104.062 2.847 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.382 0 O5'-C5'-C4' 113.878 2.627 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C3'-C2'-C1' 104.633 3.481 . 0.045 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.659 3.459 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C3'-C2'-C1' 103.656 2.395 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C5'-C4'-C3' 110.752 -3.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 O4'-C1'-N19 110.555 2.355 . 0.896 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 111.815 3.615 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 N19-C1'-C2' 108.487 -3.071 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 1 O4'-C1'-N19 112.319 4.119 . 0.173 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C5'-C4'-C3' 110.488 -3.341 . 0.279 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 110.633 2.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.8 3.6 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 1 O4'-C1'-N19 112.496 4.296 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 O4'-C1'-N19 110.624 2.424 . 0.087 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 1 O4'-C1'-N19 112.768 4.568 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 O4'-C1'-N19 112.152 3.952 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 N19-C1'-C2' 109.005 -2.747 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 O4'-C1'-N19 111.118 2.918 . 0.475 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.461 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 C5'-C4'-C3' 111.906 -2.396 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C5'-C4'-C3' 112.637 -1.908 . 0.033 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 C5'-C4'-C3' 111.119 -2.921 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 C5'-C4'-C3' 109.462 -4.025 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 1 P-O3'-C3' 125.192 4.577 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.063 2.863 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.397 4.197 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 99.153 -3.547 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 99.639 -3.061 . 0.223 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.499 3.299 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 P-O3'-C3' 122.403 2.252 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-C3' 109.955 -3.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 C3'-C2'-C1' 104.19 2.989 . 0.228 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.461 4.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 1 C5'-C4'-C3' 109.088 -4.274 . 0.028 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 C3'-C2'-C1' 106.096 5.106 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 O4'-C1'-N19 110.858 2.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 1 O4'-C1'-N19 112.273 4.073 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.702 4.502 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 0 O4'-C1'-N19 111.119 2.919 . 0.483 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 1 O4'-C1'-N19 112.317 4.117 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 C4'-C3'-O3' 120.331 3.743 OUTLIER-EPSILON 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . 0.42 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.21 1 P-O3'-C3' 126.943 6.036 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 O4'-C1'-N19 111.133 2.933 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . 0.401 " H2'" H5'' ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C5'-C4'-C3' 111.195 -2.87 . 0.38 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.478 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.261 3 C5'-C4'-C3' 107.614 -5.257 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . 0.401 H5'' " H2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.014 1 P-O3'-C3' 126.739 5.866 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 1 O4'-C1'-N19 112.207 4.007 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 C4'-C3'-C2' 100.093 -2.607 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 O4'-C1'-N19 111.184 2.984 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C3'-C2'-C1' 104.969 3.854 . 0.246 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.874 3.674 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 O4'-C1'-N19 111.996 3.796 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.319 3.119 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 O4'-C1'-N19 111.658 3.458 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 O4'-C1'-N19 111.743 3.543 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C3'-C2'-C1' 103.87 2.633 . 0.237 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 98.957 -3.743 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 C3'-C2'-C1' 103.979 2.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 0 C5'-C4'-C3' 109.863 -3.758 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 2 C5'-C4'-C3' 105.609 -6.594 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 1 P-O3'-C3' 125.641 4.95 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 O4'-C1'-N19 111.175 2.975 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.703 4.503 . 0.419 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.016 2.816 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.69 2.49 . 0.435 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.73 115.68 30.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.811 . . . . 0.0 110.061 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.64 134.92 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.601 0.76 . . . . 0.0 109.771 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.8 mt -134.99 158.75 43.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.841 1.256 . . . . 0.0 110.034 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.8 m -127.98 119.27 25.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.681 0.792 . . . . 0.0 110.258 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -131.22 138.45 49.37 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.701 0.682 . . . . 0.0 111.459 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.2 159.43 20.11 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 118.791 0.723 . . . . 0.0 110.106 168.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG13 ' HA2' ' A' ' 24' ' ' GLY . 67.5 t -41.07 128.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.561 0.745 . . . . 0.0 110.916 169.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.63 -5.0 61.99 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.162 0.887 . . . . 0.0 114.543 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -96.63 167.4 11.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.885 1.342 . . . . 0.0 111.89 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -136.85 147.28 46.43 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 25.5 mm -112.09 154.39 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 125.434 1.494 . . . . 0.0 110.057 169.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -125.48 133.41 52.41 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.365 1.066 . . . . 0.0 110.438 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 mm -121.96 126.51 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.877 1.271 . . . . 0.0 109.413 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.86 -126.9 30.04 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.95 -0.24 5.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.874 0.87 . . . . 0.0 112.176 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -133.68 -17.52 2.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -169.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -110.89 133.83 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.135 0.88 . . . . 0.0 110.453 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -128.14 144.38 51.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.729 0.812 . . . . 0.0 109.713 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.82 139.57 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.864 1.266 . . . . 0.0 108.399 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -135.51 132.15 36.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 110.389 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -80.75 95.6 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.02 -31.48 71.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.97 -170.14 43.0 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 123.153 0.406 . . . . 0.0 112.721 169.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.38 159.27 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.513 0.725 . . . . 0.0 111.666 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -137.97 72.62 1.42 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.726 1.21 . . . . 0.0 109.369 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -118.08 7.82 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -79.77 -2.77 44.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 111.979 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -98.92 154.64 17.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.913 0.863 . . . . 0.0 111.858 170.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.96 117.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.045 1.738 . . . . 0.0 108.264 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -105.32 101.9 11.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 110.542 -170.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.6 mt -107.37 134.42 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.059 1.344 . . . . 0.0 109.655 -171.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.52 137.72 13.75 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -110.06 133.34 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 125.186 1.394 . . . . 0.0 108.251 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -119.55 75.49 1.07 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.736 1.214 . . . . 0.0 109.184 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.46 153.23 44.25 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.321 1.448 . . . . 0.0 110.559 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.79 153.32 58.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.428 2.086 . . . . 0.0 110.515 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -66.85 -6.85 17.9 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -67.72 -25.73 65.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 112.229 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.4 144.02 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.847 0.832 . . . . 0.0 111.88 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.56 143.07 40.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.406 1.082 . . . . 0.0 111.407 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -129.27 121.04 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.513 0.725 . . . . 0.0 109.606 170.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -149.49 169.23 21.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.666 0.786 . . . . 0.0 111.151 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -104.19 164.38 11.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.401 0.281 . . . . 0.0 111.634 169.124 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -23.98 66.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.6 -23.95 66.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.914 0.886 . . . . 0.0 112.014 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -119.31 -28.94 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.629 1.172 . . . . 0.0 110.833 -169.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.35 -33.1 74.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.385 -0.822 . . . . 0.0 110.441 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -75.05 -15.82 60.61 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.496 0.718 . . . . 0.0 111.657 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -39.22 36.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.024 0.93 . . . . 0.0 110.731 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.88 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.714 0.806 . . . . 0.0 109.34 174.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 26.2 mm100 -84.02 5.03 27.31 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -175.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.94 -21.16 66.35 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 122.243 -0.285 . . . . 0.0 111.405 169.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.41 -4.23 4.06 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.371 0.986 . . . . 0.0 113.237 172.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.5 pp -86.76 90.62 8.35 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 122.694 1.235 . . . . 0.0 111.142 -172.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.9 p -160.64 -32.12 0.05 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.985 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 152.81 23.13 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.967 1.307 . . . . 0.0 112.025 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.85 158.82 55.59 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 123.13 2.553 . . . . 0.0 111.885 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 N--CA 1.451 -0.416 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.488 173.485 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.6 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.416 -0.325 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.77 121.64 45.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.19 138.97 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.639 0.375 . . . . 0.0 111.875 -165.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -135.55 126.61 27.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.37 1.068 . . . . 0.0 110.688 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.433 ' HB ' ' H41' ' G' ' 47' ' ' ' C' . 30.4 m -87.38 102.09 14.19 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.9 167.44 11.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.201 1.401 . . . . 0.0 109.609 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -132.08 162.38 30.95 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.513 0.597 . . . . 0.0 110.954 167.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -62.84 129.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.035 -169.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -5.0 71.21 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 118.985 -0.897 . . . . 0.0 114.763 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.01 169.48 13.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -135.81 157.41 46.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.322 0.649 . . . . 0.0 112.215 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.2 mt -129.0 153.71 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.157 1.783 . . . . 0.0 109.612 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -134.1 135.71 43.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.859 0.864 . . . . 0.0 110.393 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.1 mt -131.61 128.96 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.853 0.861 . . . . 0.0 109.703 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -133.31 52.74 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -172.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -129.23 4.98 5.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.646 0.778 . . . . 0.0 112.866 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -111.29 -19.09 12.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.04 135.68 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 119.067 0.849 . . . . 0.0 111.269 -169.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.41 148.77 52.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.726 1.21 . . . . 0.0 109.569 169.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -128.69 144.89 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.82 1.648 . . . . 0.0 107.87 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -135.5 128.85 32.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.825 0.45 . . . . 0.0 109.979 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -86.19 94.55 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -67.23 -32.6 73.74 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.09 -0.381 . . . . 0.0 111.268 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.95 -179.06 36.66 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-O 120.811 0.117 . . . . 0.0 112.897 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.79 151.94 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.484 0.659 . . . . 0.0 110.732 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -130.06 71.84 1.46 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.468 1.507 . . . . 0.0 107.657 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.88 -119.81 5.16 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -170.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.1 11.76 38.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 122.098 -0.648 . . . . 0.0 111.502 173.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.96 153.68 18.65 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.827 1.251 . . . . 0.0 108.959 169.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 t -137.79 119.06 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.043 0.537 . . . . 0.0 109.927 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.88 120.31 30.17 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 125.008 1.323 . . . . 0.0 109.69 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.17 129.61 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.243 1.017 . . . . 0.0 109.671 -170.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.26 15.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 56.7 mt -125.39 130.45 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.841 0.856 . . . . 0.0 109.259 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -130.27 77.68 1.8 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.618 -1.173 . . . . 0.0 109.39 -168.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.99 158.28 66.49 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.726 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.38 155.42 62.29 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.919 1.746 . . . . 0.0 110.832 168.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -68.5 -0.59 5.21 Favored 'General case' 0 C--N 1.334 -0.077 0 C-N-CA 124.49 1.116 . . . . 0.0 113.189 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.82 -23.08 66.61 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.666 169.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.86 144.11 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.713 1.205 . . . . 0.0 109.804 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.52 143.0 27.93 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.297 0.57 . . . . 0.0 111.116 170.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 t -142.43 96.54 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.73 -166.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.491 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.1 OUTLIER -146.91 161.61 40.38 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.381 0.672 . . . . 0.0 111.735 178.752 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 11.9 ptt180 -65.07 157.15 29.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.548 0.739 . . . . 0.0 111.395 169.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -56.58 -40.93 76.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.334 0.654 . . . . 0.0 112.396 -173.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -69.11 -4.36 17.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mm -104.02 -50.65 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.019 0.928 . . . . 0.0 109.925 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -50.26 -37.1 34.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.873 1.269 . . . . 0.0 112.107 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -69.86 -22.24 63.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -78.2 -41.5 34.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.034 0.834 . . . . 0.0 110.375 169.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' B' ' 55' ' ' LEU . 98.6 mt -64.9 -38.67 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.334 0.654 . . . . 0.0 109.403 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -80.7 5.0 16.95 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.68 -19.9 37.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.335 0.654 . . . . 0.0 111.779 169.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.95 47.64 0.07 OUTLIER Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.49 -0.617 . . . . 0.0 114.446 169.072 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.3 pp -168.98 -176.57 2.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.818 0.809 . . . . 0.0 112.706 -168.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.6 p -126.9 -177.34 3.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.404 1.481 . . . . 0.0 109.537 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.99 121.48 2.41 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.276 1.031 . . . . 0.0 111.561 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -65.5 171.49 9.34 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.028 1.819 . . . . 0.0 114.621 -169.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.695 -176.314 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.88 110.75 23.15 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.79 133.14 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.458 0.703 . . . . 0.0 109.511 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.68 140.14 52.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.919 0.888 . . . . 0.0 110.181 169.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.2 p -107.16 132.83 52.6 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.713 0.805 . . . . 0.0 111.044 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.13 143.38 29.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.065 0.546 . . . . 0.0 111.276 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -82.8 166.22 19.2 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.857 0.863 . . . . 0.0 109.617 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.81 142.45 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 O-C-N 121.371 -0.831 . . . . 0.0 111.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.03 -2.99 82.42 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.933 1.254 . . . . 0.0 114.695 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.39 -177.76 6.84 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.527 1.664 . . . . 0.0 112.611 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.9 m -141.04 146.68 37.52 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.56 1.144 . . . . 0.0 112.472 -167.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -139.53 145.56 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 125.868 1.667 . . . . 0.0 108.902 -175.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -122.52 142.72 50.29 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.835 0.854 . . . . 0.0 111.667 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -135.04 137.88 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.708 1.203 . . . . 0.0 109.415 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -132.93 49.46 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -170.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -129.63 10.04 5.56 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.696 0.798 . . . . 0.0 111.257 169.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.5 -7.82 5.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.527 1.131 . . . . 0.0 112.733 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.21 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.678 0.791 . . . . 0.0 110.471 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.4 m -129.68 136.43 49.7 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.219 1.008 . . . . 0.0 109.386 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -114.3 136.51 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.109 0.964 . . . . 0.0 108.557 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -121.51 136.8 54.93 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.122 0.969 . . . . 0.0 109.984 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -96.09 118.64 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.547 HD13 " H1'" ' G' ' 67' ' ' ' C' . 7.3 mt -91.1 -38.55 12.69 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -176.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.99 -174.77 42.3 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.722 -0.751 . . . . 0.0 114.142 168.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -121.98 146.83 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.384 0.674 . . . . 0.0 111.145 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -143.43 111.16 5.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -142.07 29.72 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.137 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -85.46 3.52 39.87 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.318 1.047 . . . . 0.0 110.779 168.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.18 139.31 30.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.895 1.678 . . . . 0.0 110.347 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -130.8 113.66 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -170.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.73 111.1 15.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.695 0.679 . . . . 0.0 109.212 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -113.46 132.82 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.433 1.493 . . . . 0.0 109.146 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.51 145.09 16.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.353 0.977 . . . . 0.0 111.722 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.7 mt -128.18 121.04 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.537 1.135 . . . . 0.0 108.716 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -115.71 102.45 9.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.554 0.742 . . . . 0.0 109.619 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 155.26 63.44 Favored Pre-proline 0 N--CA 1.452 -0.371 0 C-N-CA 124.118 0.967 . . . . 0.0 109.846 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.34 154.11 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.766 2.311 . . . . 0.0 111.363 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -66.04 -0.98 2.69 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.96 -22.06 66.46 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.39 0.676 . . . . 0.0 111.439 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -123.11 146.84 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.068 0.947 . . . . 0.0 110.641 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.9 153.77 22.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.776 0.431 . . . . 0.0 110.952 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -136.65 131.73 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.109 0.564 . . . . 0.0 109.967 171.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -156.6 164.63 37.97 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -75.71 157.65 33.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 165.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.32 -32.92 70.51 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.75 -44.27 81.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.767 0.827 . . . . 0.0 111.712 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.26 -29.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.359 0.664 . . . . 0.0 110.793 -171.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -51.52 -36.32 44.26 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.601 0.76 . . . . 0.0 112.363 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.69 -29.67 69.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.503 0.721 . . . . 0.0 112.395 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.95 -38.35 76.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.207 0.603 . . . . 0.0 111.565 174.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.95 -20.7 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 O-C-N 122.106 -0.371 . . . . 0.0 110.041 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -96.03 2.14 53.14 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.612 1.165 . . . . 0.0 113.145 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 4.0 4.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -171.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.01 22.27 3.28 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 124.047 0.832 . . . . 0.0 113.043 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.1 mt -73.72 145.89 44.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 117.644 0.722 . . . . 0.0 111.025 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.8 p -92.21 -7.36 48.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.364 0.666 . . . . 0.0 112.173 170.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.25 130.74 7.77 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.787 1.235 . . . . 0.0 109.765 173.062 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -61.83 -43.05 27.62 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.749 2.299 . . . . 0.0 112.966 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.274 1.03 . . . . 0.0 110.975 -172.81 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.446 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.6 tpp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -112.69 112.26 23.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.655 1.582 . . . . 0.0 109.271 170.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.446 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.8 mp -103.97 139.45 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.028 1.331 . . . . 0.0 109.495 -177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.19 154.91 34.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.839 0.856 . . . . 0.0 110.96 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -84.33 146.84 27.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.089 -0.382 . . . . 0.0 110.863 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' D' ' 6' ' ' ARG . 0.9 OUTLIER -136.93 133.6 35.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.536 0.735 . . . . 0.0 110.305 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -82.53 155.96 24.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.032 0.378 . . . . 0.0 110.545 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.597 HG11 HG12 ' D' ' 25' ' ' VAL . 27.1 m -50.52 136.99 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.614 170.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.02 -6.82 82.99 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.075 0.845 . . . . 0.0 114.311 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.62 174.48 7.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.875 1.337 . . . . 0.0 111.665 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -134.38 159.23 41.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.606 0.717 . . . . 0.0 112.831 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.6 mt -138.47 158.98 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 127.044 2.138 . . . . 0.0 108.398 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -139.03 147.84 42.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.989 0.915 . . . . 0.0 111.689 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.7 mt -136.5 134.01 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.636 1.174 . . . . 0.0 109.298 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.14 -137.46 50.31 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.78 1.03 11.0 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.708 0.803 . . . . 0.0 112.342 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -129.62 -9.46 4.54 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -171.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.5 134.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.914 0.779 . . . . 0.0 110.747 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -128.39 147.27 50.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.431 1.092 . . . . 0.0 109.91 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -130.32 142.68 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.667 1.587 . . . . 0.0 108.067 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -137.37 128.68 28.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.42 93.71 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.48 -33.74 76.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 110.742 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.58 -178.62 43.79 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 121.3 0.389 . . . . 0.0 113.386 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.597 HG12 HG11 ' D' ' 8' ' ' VAL . 10.0 p -126.36 127.72 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.202 1.401 . . . . 0.0 109.285 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -130.17 84.57 2.21 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.532 1.133 . . . . 0.0 109.038 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.73 -113.93 5.06 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -170.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -95.26 -8.25 36.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.825 0.85 . . . . 0.0 110.503 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.8 151.85 37.44 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.736 0.779 . . . . 0.0 112.065 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -128.79 115.6 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 113.632 -1.622 . . . . 0.0 107.223 169.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -94.58 111.56 23.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.911 1.284 . . . . 0.0 108.47 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.98 125.21 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 122.969 0.508 . . . . 0.0 110.83 -168.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.35 135.97 13.42 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.39 137.78 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -137.95 95.4 3.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.46 154.24 80.74 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 124.56 1.144 . . . . 0.0 109.351 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -59.95 149.75 82.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.197 1.931 . . . . 0.0 110.725 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.07 -2.9 6.11 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.98 -22.45 66.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.802 1.241 . . . . 0.0 111.677 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.08 159.78 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.226 1.01 . . . . 0.0 110.669 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.29 157.07 16.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.149 0.579 . . . . 0.0 112.27 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.51 126.79 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 121.756 -0.59 . . . . 0.0 110.29 168.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -149.31 164.38 35.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 110.576 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -75.75 157.16 33.87 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.028 -0.42 . . . . 0.0 110.414 168.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -56.84 -36.41 69.96 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.878 0.871 . . . . 0.0 112.284 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -56.36 -45.96 80.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.495 0.718 . . . . 0.0 111.526 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -78.88 -40.96 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.92 0.888 . . . . 0.0 110.221 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.65 -42.53 24.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.047 0.939 . . . . 0.0 111.948 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.35 -21.38 59.73 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.258 1.023 . . . . 0.0 113.086 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -83.35 -33.48 25.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.761 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.9 mp -72.33 -18.75 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.477 1.511 . . . . 0.0 108.608 169.462 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -94.86 -0.1 54.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.5 0.72 . . . . 0.0 112.203 168.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.05 -50.17 3.31 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.999 1.319 . . . . 0.0 112.121 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 54' ' ' GLY . . . . . 0.425 ' C ' HD13 ' D' ' 55' ' ' LEU . . . -176.58 -5.75 0.02 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.194 -0.781 . . . . 0.0 114.209 -173.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.425 HD13 ' C ' ' D' ' 54' ' ' GLY . 0.0 OUTLIER 72.69 147.54 0.08 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.773 2.029 . . . . 0.0 113.557 166.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 56' ' ' THR . . . . . 0.416 ' HB ' ' N4 ' ' G' ' 7' ' ' ' C' 0.26 0.4 OUTLIER -138.88 -17.88 1.06 Allowed 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 165.38 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.73 77.12 58.61 Favored Pre-proline 0 N--CA 1.452 -0.334 0 CA-C-N 117.829 0.286 . . . . 0.0 111.633 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.81 -48.12 18.07 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.098 2.532 . . . . 0.0 111.996 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t0 . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 123.74 0.816 . . . . 0.0 111.424 -173.317 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ptm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.62 143.18 32.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.941 1.696 . . . . 0.0 109.346 175.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.5 141.23 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.099 0.96 . . . . 0.0 110.119 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -136.62 164.26 28.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.89 1.676 . . . . 0.0 110.779 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -137.95 97.19 3.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.54 144.67 40.4 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.853 1.261 . . . . 0.0 111.805 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -84.31 161.23 20.52 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.748 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.17 139.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.77 0.319 . . . . 0.0 111.275 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -4.09 86.47 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 119.293 -0.726 . . . . 0.0 114.089 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -88.13 174.34 8.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.757 1.279 . . . . 0.0 111.908 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -139.1 157.18 46.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.521 0.677 . . . . 0.0 112.24 -173.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -140.57 158.05 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 126.73 2.012 . . . . 0.0 107.619 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.97 152.05 49.71 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.452 -0.78 . . . . 0.0 113.035 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -137.24 137.94 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.951 1.3 . . . . 0.0 109.048 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.27 -136.56 49.51 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -125.18 10.0 8.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.298 1.039 . . . . 0.0 111.483 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.32 -8.35 1.31 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -117.68 135.25 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.061 0.846 . . . . 0.0 110.762 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.7 m -127.89 143.7 51.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.584 1.154 . . . . 0.0 110.136 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -122.39 138.5 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.365 1.466 . . . . 0.0 108.25 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -133.72 126.78 31.44 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.034 0.534 . . . . 0.0 109.935 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.22 107.88 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.05 -30.48 62.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.756 0.422 . . . . 0.0 110.429 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.23 -174.34 31.2 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.545 0.593 . . . . 0.0 113.085 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 m -112.72 159.82 12.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.522 0.729 . . . . 0.0 111.927 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -146.89 89.92 1.86 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.075 1.35 . . . . 0.0 109.072 170.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.89 -111.32 4.04 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -94.5 -19.15 20.8 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.386 0.593 . . . . 0.0 111.551 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.46 146.74 50.1 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.273 0.558 . . . . 0.0 110.395 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -135.76 113.69 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -88.12 124.03 33.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.1 129.99 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.441 0.696 . . . . 0.0 110.587 -168.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.18 139.43 14.68 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 124.183 0.897 . . . . 0.0 111.255 170.157 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -131.74 127.64 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.864 1.266 . . . . 0.0 108.785 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.17 98.99 4.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 155.06 78.61 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.647 1.179 . . . . 0.0 110.701 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.44 157.95 43.41 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 122.949 2.433 . . . . 0.0 112.007 171.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -72.15 -1.0 13.37 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.435 0.694 . . . . 0.0 112.592 173.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.59 -23.0 66.13 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.665 1.186 . . . . 0.0 111.857 169.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.39 160.99 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.966 0.907 . . . . 0.0 110.838 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.01 156.11 16.45 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.234 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.03 125.69 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.024 0.53 . . . . 0.0 110.2 168.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -150.5 166.69 29.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.2 1.0 . . . . 0.0 110.165 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -79.14 162.17 25.98 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.786 -0.571 . . . . 0.0 109.959 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.15 -21.88 62.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.94 -48.84 70.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.011 0.924 . . . . 0.0 111.638 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.0 -32.42 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.384 0.673 . . . . 0.0 109.85 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -53.54 -37.82 63.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.415 0.686 . . . . 0.0 112.189 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -66.89 -22.08 65.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -74.07 -23.0 59.3 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.537 0.735 . . . . 0.0 111.31 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.29 -40.48 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -82.63 2.0 35.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 112.333 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.87 -13.27 10.01 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.083 1.353 . . . . 0.0 113.793 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.25 44.09 0.24 Allowed Glycine 0 CA--C 1.524 0.63 0 C-N-CA 124.09 0.852 . . . . 0.0 112.075 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.44 -53.01 0.16 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.385 0.674 . . . . 0.0 112.248 -176.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m 42.99 37.87 1.26 Allowed 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 125.414 1.486 . . . . 0.0 112.98 -170.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.33 126.95 2.72 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 124.316 1.046 . . . . 0.0 109.896 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.21 148.68 48.66 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.896 2.397 . . . . 0.0 112.025 169.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 CA--C 1.53 0.205 0 C-N-CA 124.696 1.199 . . . . 0.0 114.182 169.812 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -96.78 148.96 22.37 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.808 0.443 . . . . 0.0 111.26 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.31 124.95 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.87 155.68 28.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.693 1.597 . . . . 0.0 109.644 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.81 108.41 11.45 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 168.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 125.85 48.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.69 1.196 . . . . 0.0 110.197 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.74 165.78 12.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.571 1.078 . . . . 0.0 112.571 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.48 134.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.434 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.08 -3.33 76.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.312 0.958 . . . . 0.0 114.161 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -97.91 171.74 8.09 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.485 1.143 . . . . 0.0 111.542 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -133.37 156.85 46.91 Favored 'General case' 0 C--N 1.338 0.109 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -168.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -136.97 156.43 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.758 2.023 . . . . 0.0 108.158 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -131.97 149.11 52.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.439 -0.788 . . . . 0.0 112.293 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -136.29 141.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.51 1.124 . . . . 0.0 109.034 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.83 47.26 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -173.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -121.7 10.08 10.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.075 0.95 . . . . 0.0 112.485 173.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -132.98 -22.58 2.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.7 137.84 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.258 0.935 . . . . 0.0 110.958 -170.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -126.13 141.72 51.82 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.155 0.982 . . . . 0.0 110.28 174.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.13 138.6 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.487 1.515 . . . . 0.0 108.328 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.79 128.32 32.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.124 0.57 . . . . 0.0 109.886 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.08 107.7 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.49 -28.99 37.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.311 0.644 . . . . 0.0 111.078 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.68 -172.26 35.52 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 123.289 0.471 . . . . 0.0 112.931 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.86 149.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.242 0.617 . . . . 0.0 111.346 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -138.59 89.93 2.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.87 1.268 . . . . 0.0 108.686 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.49 -125.8 34.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 -171.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.13 -17.87 54.26 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.96 143.59 37.49 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.42 0.629 . . . . 0.0 110.265 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.63 120.98 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 ttm105 -90.77 124.16 34.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.935 0.894 . . . . 0.0 108.93 -173.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.26 139.59 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.448 0.699 . . . . 0.0 110.333 -167.663 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.72 140.59 16.44 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.138 0.875 . . . . 0.0 111.013 173.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.76 135.36 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.107 0.963 . . . . 0.0 109.552 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -129.01 104.35 7.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.028 0.931 . . . . 0.0 109.286 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.38 158.77 63.02 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 111.342 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.43 161.88 36.18 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.845 2.363 . . . . 0.0 111.882 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -62.69 -18.13 61.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.845 0.858 . . . . 0.0 112.498 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.58 -18.25 64.93 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.144 1.378 . . . . 0.0 113.094 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -128.77 161.3 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.549 0.739 . . . . 0.0 111.244 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.33 163.76 13.12 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.255 0.622 . . . . 0.0 111.783 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.04 125.04 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.496 0.719 . . . . 0.0 110.243 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.06 178.41 9.48 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.186 0.995 . . . . 0.0 110.764 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -71.77 160.95 31.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 169.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.37 -26.53 68.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.452 0.301 . . . . 0.0 111.73 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.31 -43.76 98.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.826 0.85 . . . . 0.0 111.637 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -84.7 -31.28 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.55 0.74 . . . . 0.0 109.636 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 48' ' ' TYR . . . . . 0.478 ' HA ' HG12 ' F' ' 51' ' ' ILE . 70.0 t80 -52.91 -34.51 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.917 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.59 -23.99 66.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.204 0.602 . . . . 0.0 112.327 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.19 -24.14 32.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.321 0.648 . . . . 0.0 111.023 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.0 mm -68.01 -56.64 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.79 0.836 . . . . 0.0 109.241 169.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -77.68 3.09 14.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.745 0.818 . . . . 0.0 112.497 -170.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.2 -24.54 64.89 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.113 0.965 . . . . 0.0 112.816 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.69 31.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.525 -0.597 . . . . 0.0 114.002 169.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -158.84 -173.44 4.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 117.938 0.869 . . . . 0.0 111.595 -168.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -140.9 141.81 34.53 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.716 0.806 . . . . 0.0 109.226 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 51.04 81.29 0.26 Allowed Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 125.255 1.422 . . . . 0.0 113.24 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.53 -43.61 32.71 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 124.344 3.363 . . . . 0.0 114.104 174.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t0 . . . . . 0 N--CA 1.452 -0.36 0 C-N-CA 123.782 0.833 . . . . 0.0 110.033 -169.244 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 112.093 3.893 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O4'-C1'-N19 111.442 3.242 . 0.351 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 1 O4'-C1'-N19 112.926 4.726 . 0.432 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 1 O4'-C1'-N19 112.277 4.077 . 0.131 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.445 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 C3'-C2'-C1' 104.302 3.113 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.445 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 C5'-C4'-C3' 108.89 -4.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.761 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.118 1 O4'-C1'-N19 112.496 4.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 C5'-C4'-C3' 110.895 -3.07 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 0 P-O3'-C3' 122.001 1.918 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 1 C3'-C2'-C1' 105.139 4.043 . 0.11 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 O4'-C1'-N19 111.771 3.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.558 -2.628 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 C5'-C4'-C3' 108.405 -4.73 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 110.472 2.272 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 111.646 3.446 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.484 3.284 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C5'-C4'-C3' 109.638 -3.908 . 0.779 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C5'-C4'-C3' 110.862 -3.092 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 110.826 2.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.85 3.65 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.32 1 O4'-C1'-N19 112.275 4.075 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.828 -2.872 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 1 O4'-C1'-N19 112.632 4.432 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 112.039 3.839 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 N19-C1'-C2' 108.714 -2.929 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 0 O4'-C1'-N19 111.783 3.583 . 0.569 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.491 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.412 -3.398 0 C5'-C4'-C3' 112.702 -1.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.421 0 C5'-C4'-C3' 112.352 -2.099 . 0.06 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 111.146 -2.903 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 O4'-C1'-N19 111.35 3.15 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C4'-C3'-C2' 100.411 -2.289 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 111.365 3.165 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.437 4.237 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.769 3.569 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 C4'-C3'-C2' 99.659 -3.041 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 O4'-C1'-N19 111.545 3.345 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 P-O3'-C3' 122.513 2.344 . 0.016 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.676 3.476 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C3'-C2'-C1' 104.276 3.085 . 0.308 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 113.558 5.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 0 C5'-C4'-C3' 109.706 -3.863 . 0.062 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 2 O4'-C1'-N19 114.298 6.098 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 1 O4'-C1'-N19 113.954 5.754 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.61 4.41 . 0.161 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 112.638 4.438 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 111.389 3.189 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . 0.433 ' H41' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.417 -2.983 0 O4'-C1'-N19 112.19 3.99 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C3'-C2'-C1' 104.53 3.367 . 0.345 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C4'-C3'-C2' 99.61 -3.09 . 0.011 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 O4'-C1'-N19 111.298 3.098 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.387 0 C5'-C4'-C3' 110.983 -3.012 . 0.442 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.398 1 O5'-C5'-C4' 116.883 4.774 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 C5'-C4'-C3' 112.413 -2.058 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 112.381 4.181 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 C4'-C3'-C2' 100.279 -2.421 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.013 2.813 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 110.823 -3.118 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 112.049 3.849 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 112.147 3.947 . 0.112 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 0 O4'-C1'-N19 111.683 3.483 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 O4'-C1'-N19 112.041 3.841 . 0.379 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.716 3.516 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 1 C3'-C2'-C1' 105.583 4.537 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 P-O3'-C3' 122.604 2.42 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.032 2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 0 C5'-C4'-C3' 110.846 -3.102 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.547 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 C3'-C2'-C1' 97.536 -4.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 C4'-C3'-C2' 99.733 -2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 110.847 2.647 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 O4'-C1'-N19 112.423 4.223 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 C4'-C3'-C2' 99.733 -2.967 . 0.362 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 O4'-C1'-N19 111.472 3.272 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.1 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.113 -0.47 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.61 114.26 25.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.669 0.788 . . . . 0.0 109.686 -176.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.11 134.9 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.582 0.753 . . . . 0.0 109.282 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -131.68 162.22 30.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.239 1.016 . . . . 0.0 109.691 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -122.75 118.48 28.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -127.2 133.04 50.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.246 0.618 . . . . 0.0 111.366 -167.825 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 153.3 18.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.168 0.44 . . . . 0.0 110.723 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.8 t -44.71 125.23 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.321 0.649 . . . . 0.0 110.647 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 -16.56 60.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.208 0.909 . . . . 0.0 114.295 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -85.39 171.99 11.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.095 1.448 . . . . 0.0 112.053 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -142.0 160.21 40.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -169.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 HD11 ' HD2' ' A' ' 6' ' ' ARG . 36.0 mm -127.84 157.38 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.971 2.108 . . . . 0.0 108.454 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -129.78 141.25 50.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.803 1.241 . . . . 0.0 110.523 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt -134.94 134.86 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.294 1.038 . . . . 0.0 109.227 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.4 -131.55 35.28 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -125.2 -1.45 7.67 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.004 0.922 . . . . 0.0 112.334 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.47 -15.79 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.55 137.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 118.706 0.685 . . . . 0.0 110.622 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -134.98 141.91 46.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.113 0.965 . . . . 0.0 109.686 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -123.62 139.53 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.676 1.19 . . . . 0.0 108.572 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 m -135.62 135.43 40.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.446 0.699 . . . . 0.0 109.858 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -85.37 98.68 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -26.5 63.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.922 -0.486 . . . . 0.0 110.12 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.46 -173.86 41.91 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 118.233 0.469 . . . . 0.0 114.008 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.02 154.14 39.69 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 C-N-CA 123.765 0.826 . . . . 0.0 111.919 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 m -141.51 63.09 1.44 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.823 1.249 . . . . 0.0 109.986 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.4 -127.67 8.49 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -169.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -79.63 -11.73 59.85 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -98.74 129.43 45.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.914 1.34 . . . . 0.0 110.473 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.35 121.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.329 -167.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -90.8 101.89 14.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mt -107.56 131.21 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.653 1.181 . . . . 0.0 109.311 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.18 135.23 12.21 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.85 135.25 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.062 1.345 . . . . 0.0 108.103 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -125.41 75.04 1.43 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.336 1.054 . . . . 0.0 109.049 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.57 154.92 42.12 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.101 1.36 . . . . 0.0 111.009 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.46 153.57 55.34 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.532 2.154 . . . . 0.0 110.443 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -69.04 -3.51 13.4 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -69.55 -24.92 63.78 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.891 0.876 . . . . 0.0 111.942 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.08 144.05 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.795 0.807 . . . . 0.0 111.711 173.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 143.0 29.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.122 0.969 . . . . 0.0 110.713 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -131.8 125.26 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.707 0.403 . . . . 0.0 110.389 174.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -153.21 156.8 39.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.679 0.792 . . . . 0.0 110.228 -173.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -84.71 164.2 18.72 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 170.339 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.499 1.12 . . . . 0.0 111.667 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.14 -12.49 40.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 112.648 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.85 -26.37 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.45 1.1 . . . . 0.0 111.536 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.7 -32.28 73.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.921 0.782 . . . . 0.0 110.976 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -75.09 -14.57 60.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.085 0.554 . . . . 0.0 112.209 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.54 -30.84 52.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.739 0.816 . . . . 0.0 111.001 169.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -71.23 -54.29 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.884 0.874 . . . . 0.0 109.393 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 28.4 mm100 -76.81 5.12 8.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.719 0.807 . . . . 0.0 111.586 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.98 -20.82 66.17 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.395 0.678 . . . . 0.0 112.419 169.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.57 15.91 1.21 Allowed Glycine 0 C--N 1.339 0.718 0 C-N-CA 123.712 0.673 . . . . 0.0 113.43 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -125.25 175.43 7.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.753 1.221 . . . . 0.0 111.16 -177.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.2 p -137.21 -14.57 1.52 Allowed 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.32 0.648 . . . . 0.0 112.715 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.05 163.4 21.52 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 124.693 1.197 . . . . 0.0 110.813 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.36 -25.28 56.25 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.501 2.801 . . . . 0.0 113.746 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 122.889 0.476 . . . . 0.0 111.115 -169.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.428 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 32.7 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.844 -0.122 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.33 122.25 43.36 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.344 1.457 . . . . 0.0 107.62 169.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.453 HD11 " H5'" ' G' ' 52' ' ' ' A' . 52.6 mt -119.69 139.43 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -164.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -143.05 141.28 31.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.795 1.238 . . . . 0.0 111.84 -171.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -91.2 127.45 36.63 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 166.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -127.07 114.94 18.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 110.165 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -82.67 149.18 27.5 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.14 131.52 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 121.131 0.491 . . . . 0.0 111.153 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.01 -8.93 65.47 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.143 -0.809 . . . . 0.0 114.807 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -85.22 168.25 14.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 1.402 . . . . 0.0 111.733 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -132.65 155.75 48.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.759 0.824 . . . . 0.0 112.434 -169.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 33.3 mt -137.02 156.77 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.72 1.608 . . . . 0.0 109.786 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -135.3 141.99 45.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.107 0.963 . . . . 0.0 111.204 -173.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 80.0 mt -134.56 127.58 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.279 1.032 . . . . 0.0 109.441 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.75 -134.24 52.42 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -174.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.92 5.01 5.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.703 0.801 . . . . 0.0 112.759 173.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -112.1 -19.72 12.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.46 136.94 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 118.967 0.803 . . . . 0.0 111.425 -169.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.5 m -131.03 148.56 52.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.956 1.302 . . . . 0.0 109.674 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -130.07 145.2 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.739 1.616 . . . . 0.0 108.393 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -137.54 133.11 34.14 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.994 0.517 . . . . 0.0 110.217 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.67 93.92 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.48 -32.62 74.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.033 -0.417 . . . . 0.0 110.997 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.1 -174.32 36.85 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 169.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -111.14 147.62 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.409 0.623 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -122.81 71.95 1.06 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.559 1.543 . . . . 0.0 108.013 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.36 -122.27 5.76 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.82 10.44 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.066 -0.667 . . . . 0.0 111.484 172.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.44 158.41 15.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.346 167.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 t -140.26 117.86 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.085 0.554 . . . . 0.0 109.775 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -87.37 121.27 29.59 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.123 0.969 . . . . 0.0 109.656 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.13 131.43 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.162 0.985 . . . . 0.0 109.8 -169.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 139.71 14.64 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -125.22 130.67 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.836 0.855 . . . . 0.0 109.103 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -131.16 80.24 1.93 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.473 -168.327 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.0 157.39 72.15 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.85 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.52 157.22 37.63 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 122.119 1.879 . . . . 0.0 111.602 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -71.11 -0.93 10.72 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.837 0.855 . . . . 0.0 112.308 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.89 -23.65 66.68 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.34 1.456 . . . . 0.0 111.887 169.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -114.26 144.13 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.331 1.052 . . . . 0.0 110.274 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.99 142.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.269 0.556 . . . . 0.0 111.711 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.74 97.42 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.673 -166.246 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.468 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -147.43 166.3 27.62 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 124.252 1.021 . . . . 0.0 111.944 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.73 163.57 27.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 122.877 0.471 . . . . 0.0 111.508 169.462 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.38 -46.52 62.82 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.475 0.71 . . . . 0.0 112.359 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.26 -44.15 33.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.43 0.692 . . . . 0.0 110.905 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.403 ' CG2' " H1'" ' G' ' 26' ' ' ' A' . 10.1 mm -81.21 -48.67 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.962 1.305 . . . . 0.0 110.177 -174.04 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.83 -39.03 37.37 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.753 1.221 . . . . 0.0 111.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -28.23 68.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.149 0.98 . . . . 0.0 112.994 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -77.45 -43.96 30.59 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 118.976 0.807 . . . . 0.0 109.94 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.77 -37.3 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.211 0.605 . . . . 0.0 109.47 -172.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 3.6 mm100 -81.28 1.33 32.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.21 -13.53 58.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.654 0.782 . . . . 0.0 112.273 170.53 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.45 47.81 0.17 Allowed Glycine 0 CA--C 1.525 0.704 0 CA-C-O 119.719 -0.49 . . . . 0.0 113.774 169.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.46 -177.52 3.2 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 117.471 0.635 . . . . 0.0 112.337 -168.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 54.0 p -129.68 -174.45 3.3 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.177 1.391 . . . . 0.0 109.425 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.58 120.13 2.53 Favored Pre-proline 0 N--CA 1.454 -0.254 0 C-N-CA 123.846 0.858 . . . . 0.0 110.987 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 -47.0 29.45 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.483 2.789 . . . . 0.0 113.362 -169.515 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 124.145 0.978 . . . . 0.0 109.889 -171.88 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.88 107.23 18.08 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.53 132.48 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.318 0.647 . . . . 0.0 109.287 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.65 135.73 51.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.895 0.878 . . . . 0.0 109.836 169.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -97.98 145.32 26.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.127 0.571 . . . . 0.0 110.919 170.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.43 HH21 ' CA ' ' C' ' 11' ' ' SER . 0.0 OUTLIER -146.16 156.8 43.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.206 1.002 . . . . 0.0 110.756 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.0 tptm -97.32 158.58 15.39 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 124.691 1.196 . . . . 0.0 109.625 170.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.38 139.06 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.945 0.793 . . . . 0.0 111.691 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.85 -3.86 85.86 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.614 1.102 . . . . 0.0 114.726 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -85.61 -177.17 6.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.493 1.646 . . . . 0.0 113.027 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.43 ' CA ' HH21 ' C' ' 6' ' ' ARG . 54.9 m -141.25 147.68 38.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.511 1.124 . . . . 0.0 113.11 -165.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -139.22 151.31 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.06 2.144 . . . . 0.0 107.755 -174.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -134.3 144.7 48.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.835 0.854 . . . . 0.0 111.258 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.06 132.25 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.414 1.086 . . . . 0.0 109.055 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.91 -134.48 49.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.27 7.59 5.44 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.743 0.817 . . . . 0.0 111.856 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -115.13 -13.82 11.79 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 124.155 0.982 . . . . 0.0 113.014 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.95 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.726 0.694 . . . . 0.0 110.747 -173.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -130.55 140.75 50.47 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.48 1.112 . . . . 0.0 109.501 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -124.7 136.79 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.06 1.344 . . . . 0.0 108.227 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -128.29 138.08 52.25 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.708 -0.62 . . . . 0.0 110.337 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -91.16 114.14 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 168.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -87.95 -35.02 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.92 -173.39 39.13 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.708 -0.282 . . . . 0.0 113.062 167.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.43 162.49 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 121.565 0.697 . . . . 0.0 111.937 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.5 m -142.61 70.1 1.32 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.303 1.841 . . . . 0.0 108.034 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.59 -109.77 3.07 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 -168.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.3 -6.72 37.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -94.5 160.09 14.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.893 0.854 . . . . 0.0 112.313 172.437 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.433 HG11 HG11 ' D' ' 30' ' ' VAL . 86.7 t -136.08 108.9 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.594 1.558 . . . . 0.0 107.049 -168.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -75.25 110.16 9.36 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -107.09 130.81 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.29 1.436 . . . . 0.0 109.881 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.99 141.48 15.72 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 110.721 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.96 125.03 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -129.67 96.17 4.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -169.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.59 154.57 66.55 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 124.327 1.051 . . . . 0.0 110.032 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 152.89 77.49 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.656 2.237 . . . . 0.0 111.194 172.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.88 -1.01 3.45 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.313 0.645 . . . . 0.0 112.466 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.84 -22.83 66.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.346 1.058 . . . . 0.0 111.228 168.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -124.78 151.41 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.342 1.057 . . . . 0.0 110.698 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 155.67 19.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.735 0.414 . . . . 0.0 111.51 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 m -139.0 132.16 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 123.152 0.581 . . . . 0.0 109.707 170.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -157.3 166.4 33.23 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.103 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' D' ' 12' ' ' ILE . 84.9 mtm-85 -69.51 153.57 43.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 165.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.96 -32.5 72.03 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.241 -0.287 . . . . 0.0 111.69 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.02 -45.56 83.01 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.147 0.979 . . . . 0.0 111.886 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.39 -32.94 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.365 0.666 . . . . 0.0 110.839 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -50.86 -40.03 55.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.269 1.028 . . . . 0.0 112.098 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -60.24 -28.54 68.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.389 0.676 . . . . 0.0 112.298 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -71.98 -41.29 67.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.306 0.642 . . . . 0.0 111.754 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -65.28 -21.24 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -98.41 2.13 47.53 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.945 1.298 . . . . 0.0 113.458 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.37 4.04 1.96 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -172.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.48 46.0 1.6 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 123.984 0.802 . . . . 0.0 111.632 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 66.3 mt -84.84 1.76 45.5 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.626 0.771 . . . . 0.0 112.301 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 p -76.25 127.4 32.82 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.885 0.874 . . . . 0.0 110.949 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 44.09 69.8 2.24 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 125.115 1.366 . . . . 0.0 112.854 -174.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.35 147.57 45.85 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.461 2.774 . . . . 0.0 113.057 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 CA--C 1.529 0.137 0 C-N-CA 126.325 1.85 . . . . 0.0 115.42 169.549 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 69.2 mmm . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -134.97 110.62 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.278 1.831 . . . . 0.0 106.524 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.82 138.21 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.571 1.148 . . . . 0.0 109.516 -169.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.04 156.9 30.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.215 0.606 . . . . 0.0 111.654 175.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 70.6 p -91.77 148.3 22.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.158 0.504 . . . . 0.0 111.66 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -132.69 135.75 45.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.117 0.967 . . . . 0.0 108.634 167.609 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 63.0 mttt -84.19 158.56 21.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.476 168.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 m -54.58 124.19 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 111.415 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.56 -3.23 53.52 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.167 0.889 . . . . 0.0 114.024 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -95.24 170.71 9.2 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.503 1.152 . . . . 0.0 112.04 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -134.32 161.56 34.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' C' ' 44' ' ' ARG . 45.2 mm -136.68 151.49 27.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 128.088 2.555 . . . . 0.0 108.301 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -119.54 149.48 41.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.889 0.876 . . . . 0.0 111.83 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.7 mt -134.02 134.16 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.93 1.292 . . . . 0.0 109.338 173.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.72 -129.94 42.39 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -130.05 4.23 4.86 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.99 0.916 . . . . 0.0 111.715 172.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -132.26 -8.97 3.36 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.77 133.05 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.76 0.709 . . . . 0.0 110.34 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -129.37 144.56 51.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.842 0.857 . . . . 0.0 109.91 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -126.14 144.56 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.954 1.302 . . . . 0.0 108.336 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -137.03 129.57 30.11 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.483 0.713 . . . . 0.0 109.468 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' D' ' 30' ' ' VAL . 0.1 OUTLIER -86.83 109.95 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.129 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 mt -80.92 -36.12 31.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.349 0.66 . . . . 0.0 111.007 -168.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 -178.16 45.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 170.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.01 157.71 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.323 0.649 . . . . 0.0 109.869 168.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -141.61 76.95 1.57 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.86 -116.4 4.27 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -172.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -92.77 -4.2 53.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.207 0.603 . . . . 0.0 110.333 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -75.71 152.6 37.45 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 112.015 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' D' ' 22' ' ' ILE . 22.3 t -130.18 121.03 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 C-N-CA 125.585 1.554 . . . . 0.0 106.897 169.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -96.54 118.96 34.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.453 1.101 . . . . 0.0 108.151 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.37 130.13 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.455 0.302 . . . . 0.0 110.574 -168.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.95 141.59 15.78 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 124.399 0.999 . . . . 0.0 111.287 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.5 141.05 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -138.11 98.59 3.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.462 0.705 . . . . 0.0 109.221 -174.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.86 155.42 80.3 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.483 1.113 . . . . 0.0 109.397 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -62.19 150.59 86.25 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.186 1.924 . . . . 0.0 110.598 169.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -69.26 -1.22 7.5 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 121.796 -0.565 . . . . 0.0 112.437 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.53 -22.39 66.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.709 1.204 . . . . 0.0 111.385 168.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.87 159.95 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.351 1.06 . . . . 0.0 110.711 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.65 157.04 16.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.08 127.23 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 O-C-N 121.915 -0.491 . . . . 0.0 110.019 168.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -149.85 167.5 26.4 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.662 0.785 . . . . 0.0 111.206 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.52 154.81 30.14 Favored 'General case' 0 C--O 1.227 -0.128 0 C-N-CA 123.156 0.582 . . . . 0.0 110.232 168.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.59 -34.66 73.01 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.082 0.953 . . . . 0.0 112.921 -169.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.8 -27.77 67.84 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.06 -38.25 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 170.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.99 -35.31 66.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.09 0.556 . . . . 0.0 112.464 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.49 -20.99 65.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.461 0.704 . . . . 0.0 112.768 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.406 ' HA ' ' HB3' ' D' ' 53' ' ' ALA . 62.4 mtt85 -85.91 -30.25 22.99 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.113 1.365 . . . . 0.0 111.248 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.627 ' O ' HD12 ' D' ' 55' ' ' LEU . 0.3 OUTLIER -69.42 -18.73 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.603 1.161 . . . . 0.0 108.808 171.702 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -103.37 -0.4 30.16 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.156 1.782 . . . . 0.0 111.871 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' D' ' 50' ' ' ARG . . . -112.04 -49.42 2.98 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 125.202 1.401 . . . . 0.0 112.957 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.07 -3.0 0.13 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.305 0.955 . . . . 0.0 114.531 -169.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.627 HD12 ' O ' ' D' ' 51' ' ' ILE . 0.0 OUTLIER 29.65 81.83 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 128.862 2.865 . . . . 0.0 114.193 168.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 56' ' ' THR . . . . . 0.547 HG23 ' H42' ' G' ' 7' ' ' ' C' . 25.9 p -92.37 -6.31 50.37 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -169.805 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.21 73.99 80.82 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 123.225 0.61 . . . . 0.0 111.211 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -52.18 -39.21 71.86 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.749 2.966 . . . . 0.0 112.577 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t0 . . . . . 0 N--CA 1.451 -0.391 0 C-N-CA 124.283 1.033 . . . . 0.0 109.845 -169.864 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 tt -119.81 116.03 25.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.897 0.879 . . . . 0.0 109.845 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -107.76 138.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.177 0.991 . . . . 0.0 109.989 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.59 165.04 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.831 1.652 . . . . 0.0 110.611 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -133.72 99.79 4.58 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 168.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.445 ' CD ' HD11 ' E' ' 12' ' ' ILE . 5.4 mmp_? -108.48 144.96 35.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.867 1.267 . . . . 0.0 111.528 -172.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -90.04 164.64 14.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.46 140.23 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-O 120.883 0.373 . . . . 0.0 111.515 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.47 -3.54 86.39 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.794 0.711 . . . . 0.0 114.202 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.07 168.1 18.12 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 118.563 1.182 . . . . 0.0 111.464 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -136.33 151.52 49.68 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.394 0.678 . . . . 0.0 112.065 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.445 HD11 ' CD ' ' E' ' 6' ' ' ARG . 43.3 mm -134.51 153.85 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 126.622 1.969 . . . . 0.0 108.264 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -133.25 151.61 51.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.197 -0.939 . . . . 0.0 112.907 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -137.53 140.42 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.761 1.224 . . . . 0.0 108.962 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -137.7 49.88 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.51 10.08 8.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.208 1.003 . . . . 0.0 111.544 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.16 -5.98 1.09 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -170.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.14 134.44 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 119.043 0.838 . . . . 0.0 110.699 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -127.47 145.35 50.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.469 1.108 . . . . 0.0 110.34 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -125.39 139.58 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.779 1.632 . . . . 0.0 108.125 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -135.99 130.51 33.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -82.01 107.48 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.15 -31.74 64.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.571 0.348 . . . . 0.0 110.274 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.94 -173.71 33.25 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.359 0.504 . . . . 0.0 113.362 169.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.6 159.5 15.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 C-N-CA 123.528 0.731 . . . . 0.0 112.11 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.0 t -149.97 89.91 1.64 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.685 1.194 . . . . 0.0 109.383 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.25 -111.86 3.89 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 121.492 -0.755 . . . . 0.0 111.872 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -91.55 -21.77 20.69 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 117.693 0.746 . . . . 0.0 111.556 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -74.15 144.25 44.94 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.721 0.809 . . . . 0.0 109.688 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.68 113.15 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -85.96 122.87 30.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -130.3 131.3 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.71 0.804 . . . . 0.0 110.47 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.25 143.84 16.98 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.233 0.921 . . . . 0.0 111.761 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -134.42 131.98 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.328 1.451 . . . . 0.0 108.655 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -133.17 100.71 4.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -172.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.18 155.4 75.96 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.8 1.24 . . . . 0.0 110.588 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.05 158.4 43.86 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.009 2.473 . . . . 0.0 111.996 171.667 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -73.02 -0.99 15.44 Favored 'General case' 0 N--CA 1.458 -0.053 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.05 -21.36 66.38 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.397 1.079 . . . . 0.0 111.424 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -124.87 159.35 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.297 1.039 . . . . 0.0 110.736 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.55 16.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.125 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.01 127.95 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.406 0.682 . . . . 0.0 110.123 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -150.15 170.88 17.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.831 0.852 . . . . 0.0 110.815 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -71.3 160.58 32.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.3 -32.05 70.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.232 -0.292 . . . . 0.0 111.515 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.95 -44.41 78.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.586 1.155 . . . . 0.0 111.939 173.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -87.83 -33.7 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.039 0.936 . . . . 0.0 110.279 -170.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.84 -34.7 28.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.949 1.3 . . . . 0.0 112.839 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.06 -21.97 59.99 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.329 1.051 . . . . 0.0 112.669 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -73.33 -47.36 43.08 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.355 0.662 . . . . 0.0 109.527 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.498 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.8 mp -65.59 -22.97 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.326 1.45 . . . . 0.0 110.373 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -85.28 -40.0 17.09 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 169.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.28 -29.62 10.18 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -167.064 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.64 -23.3 0.99 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.921 0.772 . . . . 0.0 112.94 -169.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.59 164.21 0.19 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 128.414 2.686 . . . . 0.0 113.809 169.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 48.6 p -102.81 -3.28 26.57 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.635 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.59 135.4 26.84 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.393 1.077 . . . . 0.0 109.908 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -63.87 177.42 1.86 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.087 2.525 . . . . 0.0 113.868 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 N--CA 1.454 -0.255 0 C-N-CA 124.626 1.171 . . . . 0.0 113.04 -177.382 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.43 149.64 21.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.798 0.439 . . . . 0.0 111.435 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.57 136.08 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.23 163.07 27.53 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.726 1.21 . . . . 0.0 109.624 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.37 97.72 5.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.195 0.522 . . . . 0.0 109.844 169.12 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -104.88 135.12 46.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.057 1.343 . . . . 0.0 109.222 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -99.68 167.41 10.58 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 119.292 0.951 . . . . 0.0 113.156 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.81 136.93 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.395 -169.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.97 -8.44 76.2 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 113.739 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -95.84 175.81 6.36 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.734 1.267 . . . . 0.0 112.287 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -136.7 160.03 40.05 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -169.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -138.69 158.86 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 127.159 2.184 . . . . 0.0 107.664 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.32 150.95 48.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.417 -0.802 . . . . 0.0 112.573 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.91 142.13 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.634 1.173 . . . . 0.0 109.129 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.08 -132.95 49.03 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -127.85 10.07 6.47 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.284 1.034 . . . . 0.0 111.901 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -139.6 -14.18 1.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -103.47 136.1 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 118.835 0.743 . . . . 0.0 110.398 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.29 141.89 51.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.127 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -121.97 139.99 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.365 1.466 . . . . 0.0 108.119 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -135.24 129.54 33.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.208 0.603 . . . . 0.0 109.617 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -85.91 110.87 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 172.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.4 mt -85.35 -26.78 26.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.447 0.699 . . . . 0.0 111.218 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.71 -171.75 34.31 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.352 0.501 . . . . 0.0 113.29 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.61 157.32 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.397 0.679 . . . . 0.0 111.983 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -147.83 89.87 1.79 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.669 1.188 . . . . 0.0 108.605 169.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.77 -119.01 12.44 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -172.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -84.83 -20.12 31.4 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.199 0.499 . . . . 0.0 112.307 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -72.68 143.43 48.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -135.89 115.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -176.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -86.51 125.33 33.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.23 139.82 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.012 0.925 . . . . 0.0 110.096 -168.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.86 140.03 15.84 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 124.211 0.91 . . . . 0.0 111.175 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.97 140.55 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.358 1.063 . . . . 0.0 109.902 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -133.58 110.09 9.67 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.363 1.065 . . . . 0.0 109.336 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.95 157.94 77.09 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.632 0.773 . . . . 0.0 111.565 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.74 161.62 38.19 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.051 2.501 . . . . 0.0 112.169 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.15 -17.22 63.28 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.032 0.933 . . . . 0.0 112.617 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.18 -16.18 64.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.068 1.347 . . . . 0.0 112.668 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.11 165.05 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.05 160.98 14.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.369 0.667 . . . . 0.0 111.487 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 121.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.305 0.642 . . . . 0.0 110.448 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -151.93 177.71 10.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.446 1.098 . . . . 0.0 110.18 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -82.66 164.21 20.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.789 -0.569 . . . . 0.0 110.588 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.89 -23.11 64.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.534 0.734 . . . . 0.0 112.396 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.02 -47.75 73.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.074 0.95 . . . . 0.0 111.32 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -77.44 -30.85 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.475 0.71 . . . . 0.0 109.99 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -55.07 -36.41 65.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.322 0.649 . . . . 0.0 112.61 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.46 -26.15 65.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.274 0.63 . . . . 0.0 112.428 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -72.07 -23.0 61.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.513 0.725 . . . . 0.0 110.779 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -95.52 -47.57 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 109.809 -170.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -70.37 3.03 3.22 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.2 66.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.022 0.929 . . . . 0.0 113.009 170.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.21 26.49 0.03 OUTLIER Glycine 0 CA--C 1.526 0.724 0 CA-C-N 118.799 0.727 . . . . 0.0 114.594 170.055 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -159.11 -176.18 5.69 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.196 0.998 . . . . 0.0 111.05 -169.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 7.5 m -123.85 -33.76 3.11 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 57' ' ' ALA . . . . . 0.659 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -159.57 -28.97 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.653 -170.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 58' ' ' PRO . . . . . 0.659 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 51.7 Cg_exo -73.41 -169.96 0.6 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 CA-C-N 120.875 1.348 . . . . 0.0 114.733 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t0 . . . . . 0 N--CA 1.452 -0.368 0 C-N-CA 125.239 1.416 . . . . 0.0 110.682 -169.793 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 112.021 3.821 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.701 3.501 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 1 O4'-C1'-N19 112.557 4.357 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.758 3.558 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 111.501 3.301 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-O4' 114.402 3.716 . 0.04 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.547 ' H42' HG23 ' D' ' 56' ' ' THR . . . . . . . . 0 O4'--C4' 1.418 -2.933 0 O4'-C1'-N19 111.991 3.791 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C3'-C2'-C1' 104.02 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 O5'-C5'-C4' 113.236 2.168 . 0.016 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.912 3.791 . 0.129 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 112.182 3.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C5'-C4'-C3' 112.302 -2.132 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 C5'-C4'-C3' 108.367 -4.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 O4'-C1'-N19 110.457 2.257 . 0.53 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.594 3.394 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O4'-C1'-N19 111.146 2.946 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 O4'-C1'-N19 112.036 3.836 . 0.757 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C5'-C4'-C3' 110.9 -3.067 . 0.059 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 110.854 2.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.778 3.578 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 112.512 4.312 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 111.13 2.93 . 0.096 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.578 4.378 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 O4'-C1'-N19 112.003 3.803 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 C5'-C4'-C3' 109.885 -3.744 . 0.439 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . 0.403 " H1'" ' CG2' ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.3 3.1 . 0.418 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.468 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 C5'-C4'-C3' 111.711 -2.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 0 C5'-C4'-C3' 111.819 -2.454 . 0.059 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-C3' 111.362 -2.758 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.638 3.438 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C4'-C3'-C2' 100.392 -2.308 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.318 3.118 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 1 O4'-C1'-N19 112.297 4.097 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C4'-C3'-C2' 99.174 -3.526 . 0.451 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C4'-C3'-C2' 99.634 -3.066 . 0.183 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.494 3.294 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 P-O3'-C3' 122.529 2.357 . 0.03 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.961 3.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 C3'-C2'-C1' 104.153 2.948 . 0.179 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 1 O4'-C1'-N19 112.983 4.783 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.325 1 C5'-C4'-C3' 108.666 -4.556 . 0.029 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 O4'-C1'-N19 111.732 3.532 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 O4'-C1'-N19 113.611 5.411 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 1 O4'-C1'-N19 112.765 4.565 . 0.021 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 1 O4'-C1'-N19 112.481 4.281 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 O4'-C1'-N19 111.205 3.005 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.402 3.202 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 1 C3'-C2'-C1' 105.318 4.243 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 C4'-C3'-C2' 99.855 -2.845 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 111.095 -2.937 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 0 C5'-C4'-C3' 111.134 -2.911 . 0.398 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.453 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.299 3 O5'-C5'-C4' 117.344 5.103 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 P-O3'-C3' 126.999 6.082 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 1 O4'-C1'-N19 112.458 4.258 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 100.259 -2.441 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 O4'-C1'-N19 110.941 2.741 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C5'-C4'-C3' 111.113 -2.925 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 112.121 3.921 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 O4'-C1'-N19 112.119 3.919 . 0.221 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 O4'-C1'-N19 111.426 3.226 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O4'-C1'-N19 111.739 3.539 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 C3'-C2'-C1' 105.126 4.029 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C5'-C4'-O4' 114.177 3.555 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 P-O3'-C3' 124.371 3.893 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 P-O3'-C3' 122.49 2.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.427 0 C5'-C4'-C3' 112.374 -2.084 . 0.156 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 2 C5'-C4'-C3' 104.704 -7.197 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 P-O3'-C3' 125.787 5.073 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O4'-C1'-N19 111.018 2.818 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 112.564 4.364 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 C4'-C3'-C2' 99.868 -2.832 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 0 O4'-C1'-N19 110.747 2.547 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.83 119.6 38.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.837 0.855 . . . . 0.0 109.609 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.66 137.81 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.069 0.948 . . . . 0.0 110.724 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.9 mt -136.22 153.96 51.07 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.634 1.174 . . . . 0.0 110.25 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -127.98 100.98 6.11 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.867 0.867 . . . . 0.0 109.878 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -129.91 146.04 51.62 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.52 -0.737 . . . . 0.0 111.22 -170.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.74 166.27 15.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.567 0.747 . . . . 0.0 111.34 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG13 ' HA2' ' A' ' 24' ' ' GLY . 69.3 t -44.58 129.33 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.832 0.853 . . . . 0.0 110.88 169.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 -10.86 72.45 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.167 0.889 . . . . 0.0 113.922 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -84.62 171.27 12.57 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.79 1.295 . . . . 0.0 111.75 174.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 m -139.94 158.62 43.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -168.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.8 mm -130.53 156.27 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 126.745 2.018 . . . . 0.0 108.092 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -133.44 142.21 48.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.273 1.029 . . . . 0.0 110.946 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mt -134.09 121.58 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.738 1.215 . . . . 0.0 108.187 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' ASP . . . -77.69 10.11 26.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.9 5.23 4.34 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.636 0.718 . . . . 0.0 110.219 165.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 15' ' ' GLY . 46.9 m-20 88.74 45.21 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 130.005 3.322 . . . . 0.0 112.389 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.72 143.44 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 121.183 0.516 . . . . 0.0 111.993 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.9 m -125.29 142.13 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.275 1.03 . . . . 0.0 109.33 169.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -121.81 143.96 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.531 1.132 . . . . 0.0 108.868 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -135.38 133.96 39.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.695 0.798 . . . . 0.0 109.647 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -87.09 101.89 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 171.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.32 -25.83 58.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.032 -0.418 . . . . 0.0 110.47 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.58 -176.62 42.85 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 118.292 0.496 . . . . 0.0 114.174 168.769 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.81 151.96 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.7 m -140.92 65.49 1.4 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.913 1.285 . . . . 0.0 110.002 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.52 -127.96 11.02 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.19 -12.67 59.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 18.2 pt20 -98.72 130.07 45.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.772 1.272 . . . . 0.0 110.571 175.149 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.9 t -112.71 124.4 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 126.477 1.911 . . . . 0.0 108.859 -167.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -91.61 101.88 14.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -109.16 133.87 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.542 1.137 . . . . 0.0 109.451 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.84 138.69 14.72 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.088 0.851 . . . . 0.0 111.557 171.358 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.0 mt -111.33 135.69 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 108.624 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -123.93 74.95 1.32 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.229 1.012 . . . . 0.0 109.439 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.82 153.46 43.71 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 125.35 1.46 . . . . 0.0 111.116 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.81 155.12 43.84 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.057 2.505 . . . . 0.0 110.515 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -68.79 -3.26 11.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.96 -24.64 63.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.009 0.924 . . . . 0.0 111.991 169.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.24 143.96 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.853 0.835 . . . . 0.0 111.58 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.84 142.99 28.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 110.843 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.62 126.49 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 122.826 0.45 . . . . 0.0 110.455 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -152.06 155.1 37.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.881 0.872 . . . . 0.0 110.038 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -81.81 167.74 18.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.012 -0.43 . . . . 0.0 111.71 170.402 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.21 -34.99 78.83 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.566 0.746 . . . . 0.0 112.268 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.66 -22.19 44.42 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.103 1.361 . . . . 0.0 112.875 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.458 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 5.9 mt -124.98 -6.74 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.769 1.228 . . . . 0.0 110.779 -169.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -79.99 -39.09 30.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.539 -1.35 . . . . 0.0 110.744 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -71.38 -25.61 62.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.002 0.521 . . . . 0.0 111.721 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 19.2 ptp180 -74.83 -32.06 61.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.763 0.825 . . . . 0.0 111.836 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -67.02 -48.68 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.2 mm100 -82.88 5.14 22.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.719 0.808 . . . . 0.0 112.507 -176.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.77 -12.72 56.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.146 0.578 . . . . 0.0 112.296 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.03 -2.84 6.83 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 124.61 1.1 . . . . 0.0 112.926 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 pp -91.58 90.77 7.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 122.781 1.277 . . . . 0.0 110.826 174.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.0 p -131.28 -13.04 3.5 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.252 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.09 156.35 76.79 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 124.262 1.025 . . . . 0.0 110.788 169.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.94 166.66 28.91 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.234 2.623 . . . . 0.0 112.077 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.451 -0.396 0 C-N-CA 124.421 1.088 . . . . 0.0 111.252 173.646 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.435 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 31.8 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.556 -0.259 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.3 120.56 38.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.206 1.402 . . . . 0.0 107.731 169.302 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.437 HD11 " H5'" ' G' ' 52' ' ' ' A' . 50.8 mt -118.95 140.32 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.191 0.597 . . . . 0.0 112.522 -164.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -144.39 142.89 30.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.69 1.196 . . . . 0.0 111.867 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -89.75 124.38 34.58 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 165.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -123.81 115.92 22.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.172 0.589 . . . . 0.0 109.793 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 71.4 tttt -84.43 148.85 26.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.407 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 20.5 m -54.78 128.88 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-O 121.329 0.585 . . . . 0.0 111.212 -170.707 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.06 -9.0 63.34 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.099 -0.834 . . . . 0.0 114.753 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -83.94 164.85 19.13 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 119.009 1.404 . . . . 0.0 111.455 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 39.4 m -132.45 158.61 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.61 0.764 . . . . 0.0 112.114 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 34.5 mt -138.6 157.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.589 1.555 . . . . 0.0 109.569 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 -137.12 141.53 42.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.825 0.85 . . . . 0.0 111.053 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.9 mt -134.35 129.15 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 124.325 1.05 . . . . 0.0 109.386 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.98 -132.63 52.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -175.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -129.52 5.03 5.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.701 0.8 . . . . 0.0 112.878 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -114.57 -16.31 11.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.66 136.32 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 119.262 0.937 . . . . 0.0 111.665 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -129.75 148.88 51.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.027 1.331 . . . . 0.0 109.727 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -130.77 147.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.928 1.691 . . . . 0.0 108.365 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.29 134.12 32.16 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 122.969 0.508 . . . . 0.0 110.27 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.89 93.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 172.203 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.43 -34.85 78.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.977 -0.452 . . . . 0.0 110.962 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.407 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 163.46 -174.77 39.73 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -113.44 152.96 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.094 0.473 . . . . 0.0 110.314 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -127.67 73.05 1.42 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.57 1.148 . . . . 0.0 108.677 173.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.26 -120.19 5.07 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.98 12.21 34.97 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.682 0.793 . . . . 0.0 111.19 172.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -98.84 152.65 19.49 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.047 0.939 . . . . 0.0 109.703 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -133.5 115.38 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 117.54 25.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.269 1.427 . . . . 0.0 109.23 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -127.23 131.94 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.076 0.95 . . . . 0.0 109.672 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.92 137.15 13.09 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.34 130.12 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.908 0.883 . . . . 0.0 109.189 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -132.65 76.34 1.68 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.575 -167.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.06 157.14 56.05 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.258 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -58.84 154.88 41.08 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.686 1.591 . . . . 0.0 109.674 168.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -0.76 8.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.975 0.91 . . . . 0.0 111.197 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.82 -23.76 66.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.546 1.938 . . . . 0.0 111.352 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -112.89 144.15 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.99 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.64 140.0 30.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.233 0.54 . . . . 0.0 111.805 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 t -143.44 102.85 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.68 -166.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.409 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.9 OUTLIER -146.46 175.89 10.21 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.471 1.108 . . . . 0.0 110.981 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -82.11 163.48 21.98 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.865 0.466 . . . . 0.0 111.207 168.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -53.55 -41.27 66.29 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 123.469 0.708 . . . . 0.0 112.049 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.57 -43.92 36.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.063 0.545 . . . . 0.0 111.399 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -83.57 -47.91 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 125.278 1.431 . . . . 0.0 110.167 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -48.96 -37.65 20.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.65 1.18 . . . . 0.0 111.754 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.85 -25.91 65.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.734 0.814 . . . . 0.0 113.13 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -81.77 -39.54 23.96 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.154 0.888 . . . . 0.0 110.587 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.68 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -79.95 5.01 15.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 173.489 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.52 -14.82 56.46 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.201 0.6 . . . . 0.0 112.04 169.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.48 45.45 0.13 Allowed Glycine 0 C--N 1.339 0.706 0 CA-C-O 119.554 -0.581 . . . . 0.0 114.177 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -175.42 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.804 0.802 . . . . 0.0 112.737 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 42.0 p -128.77 179.32 5.77 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.278 1.431 . . . . 0.0 109.325 167.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.27 120.51 1.28 Allowed Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 124.345 1.058 . . . . 0.0 111.499 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -62.35 169.34 8.16 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.644 2.23 . . . . 0.0 114.309 -169.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.633 1.173 . . . . 0.0 112.584 176.698 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.73 110.99 22.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.093 0.957 . . . . 0.0 108.904 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.55 133.55 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 109.534 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.12 137.66 53.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.116 0.966 . . . . 0.0 110.097 169.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -98.1 144.74 27.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.067 0.547 . . . . 0.0 110.257 169.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' C' ' 11' ' ' SER . 0.0 OUTLIER -146.08 152.34 39.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.63 0.772 . . . . 0.0 111.031 176.729 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -91.94 161.13 14.94 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.961 0.904 . . . . 0.0 109.383 170.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.88 139.96 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 118.897 0.771 . . . . 0.0 111.93 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.17 89.13 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.857 1.218 . . . . 0.0 114.769 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -84.01 -175.34 5.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.789 1.795 . . . . 0.0 112.945 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' SER . . . . . 0.458 ' HA ' HH21 ' C' ' 6' ' ' ARG . 69.3 m -144.25 146.05 32.42 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -164.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -138.83 153.17 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 127.094 2.158 . . . . 0.0 108.969 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -130.45 148.69 52.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.818 1.247 . . . . 0.0 111.797 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -136.33 140.42 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.721 1.208 . . . . 0.0 109.255 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -135.8 51.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.61 10.04 7.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.765 0.826 . . . . 0.0 111.35 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.66 -10.24 5.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.307 1.043 . . . . 0.0 112.769 -172.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.08 135.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.437 0.695 . . . . 0.0 110.532 -174.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -133.84 144.56 49.02 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.821 1.248 . . . . 0.0 108.702 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 mt -135.25 136.69 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -121.67 134.05 54.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.349 1.06 . . . . 0.0 110.157 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -84.82 120.34 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.088 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -93.9 -34.67 13.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -173.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.81 41.2 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 120.394 -0.114 . . . . 0.0 113.17 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.35 152.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.176 0.59 . . . . 0.0 110.709 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -145.2 103.72 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.668 1.187 . . . . 0.0 107.839 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.86 -131.92 26.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -169.094 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.04 -3.76 58.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.701 0.801 . . . . 0.0 113.011 170.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.16 147.33 29.08 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.243 0.617 . . . . 0.0 110.111 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -131.43 112.4 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -76.76 110.35 11.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -116.53 133.3 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.784 1.234 . . . . 0.0 109.484 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.26 129.16 9.54 Favored Glycine 0 C--N 1.337 0.599 0 C-N-CA 123.909 0.766 . . . . 0.0 111.813 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -109.22 127.54 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.563 1.145 . . . . 0.0 108.505 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.78 96.06 5.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.633 0.773 . . . . 0.0 109.909 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.05 154.43 81.31 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.319 1.048 . . . . 0.0 110.345 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.11 152.54 80.66 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.846 2.364 . . . . 0.0 111.077 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.63 -0.94 3.18 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.261 0.624 . . . . 0.0 112.649 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.86 -22.16 66.51 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.285 1.034 . . . . 0.0 111.115 168.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.08 150.44 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.402 1.081 . . . . 0.0 110.716 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 155.54 20.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.879 0.472 . . . . 0.0 111.434 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.51 127.98 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.185 0.594 . . . . 0.0 109.758 169.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -154.17 151.81 29.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.959 0.504 . . . . 0.0 111.528 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -71.37 160.76 32.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.174 -0.329 . . . . 0.0 110.367 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.0 -33.04 71.45 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.18 -20.57 60.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.57 -33.25 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.778 0.831 . . . . 0.0 110.797 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.2 -38.19 73.32 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.457 -0.777 . . . . 0.0 111.759 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.97 -29.89 71.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.902 -0.499 . . . . 0.0 112.041 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -69.74 -34.09 73.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.123 0.969 . . . . 0.0 111.625 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.03 -24.29 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 123.506 0.722 . . . . 0.0 110.629 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -103.78 2.0 32.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.931 0.892 . . . . 0.0 111.84 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.21 -5.84 59.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 113.458 -173.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.71 114.75 2.91 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -171.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' C' ' 57' ' ' ALA . 0.9 OUTLIER -160.71 173.36 15.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.241 1.016 . . . . 0.0 111.662 -168.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.0 p -98.2 4.7 48.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.03 0.932 . . . . 0.0 113.263 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.408 ' H ' ' HG ' ' C' ' 55' ' ' LEU . . . -68.31 -29.8 2.32 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -65.91 175.36 4.67 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 122.213 1.942 . . . . 0.0 113.917 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.873 0.869 . . . . 0.0 112.353 -179.783 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.511 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.8 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.72 107.63 13.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.002 1.321 . . . . 0.0 109.138 172.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.2 mp -100.12 139.64 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.119 1.367 . . . . 0.0 110.001 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.18 163.7 32.05 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.269 1.428 . . . . 0.0 110.985 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -103.93 119.28 38.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 163.406 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' D' ' 6' ' ' ARG . 0.3 OUTLIER -107.24 130.15 54.78 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.134 0.573 . . . . 0.0 110.755 170.236 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.87 158.33 26.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.316 0.507 . . . . 0.0 110.414 169.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -56.57 138.46 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 111.58 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.96 -2.23 85.49 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.24 0.924 . . . . 0.0 114.151 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -98.6 177.73 5.23 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.833 1.316 . . . . 0.0 112.13 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 36.1 m -138.86 160.3 40.04 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -138.96 154.87 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 126.607 1.963 . . . . 0.0 108.881 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -123.99 150.09 45.24 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.99 0.916 . . . . 0.0 111.299 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -134.74 136.83 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.146 1.379 . . . . 0.0 109.134 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.42 -132.36 51.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -130.03 10.03 5.38 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.262 0.625 . . . . 0.0 112.056 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.03 -7.17 4.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.801 0.84 . . . . 0.0 113.078 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.06 134.73 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.401 0.68 . . . . 0.0 110.316 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -127.51 146.66 50.43 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.207 1.003 . . . . 0.0 110.01 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -125.86 141.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.406 1.482 . . . . 0.0 108.277 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -135.89 123.11 21.72 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.384 0.674 . . . . 0.0 109.521 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.89 101.01 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 mt -73.6 -31.74 63.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.257 0.623 . . . . 0.0 110.641 -170.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.2 40.34 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 122.678 0.18 . . . . 0.0 112.71 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -108.1 159.47 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.109 0.564 . . . . 0.0 110.141 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -139.6 76.45 1.56 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.494 0.717 . . . . 0.0 109.419 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.19 -114.28 3.82 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.5 mp0 -93.49 -3.52 52.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.414 0.686 . . . . 0.0 110.403 173.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -74.63 154.85 38.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.341 0.591 . . . . 0.0 112.197 169.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.61 116.85 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.969 1.708 . . . . 0.0 106.714 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -97.49 115.05 27.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.754 1.222 . . . . 0.0 108.445 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.85 125.0 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.834 0.454 . . . . 0.0 111.104 -167.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.81 140.83 17.43 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' ILE . . . . . 0.403 HG21 HG21 ' D' ' 42' ' ' VAL . 64.7 mt -131.14 139.17 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.0 99.12 3.81 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -170.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.6 155.5 80.49 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 124.555 1.142 . . . . 0.0 109.537 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.17 151.4 82.25 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.153 1.902 . . . . 0.0 110.732 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.62 -0.99 7.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 174.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -67.58 -21.66 65.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.796 1.238 . . . . 0.0 111.283 168.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.439 1.096 . . . . 0.0 110.682 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.22 157.05 17.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.197 0.599 . . . . 0.0 112.173 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' VAL . . . . . 0.403 HG21 HG21 ' D' ' 34' ' ' ILE . 0.8 OUTLIER -149.08 127.6 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 121.7 -0.625 . . . . 0.0 111.216 170.128 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -153.17 172.82 16.35 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.117 0.967 . . . . 0.0 111.522 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 50.7 mtp85 -69.76 164.09 24.31 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 166.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.06 -39.11 84.85 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 118.264 0.484 . . . . 0.0 111.333 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -50.03 -43.68 50.94 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.799 0.84 . . . . 0.0 112.613 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.55 -35.1 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.316 1.046 . . . . 0.0 110.521 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.12 -43.41 82.33 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.838 0.855 . . . . 0.0 110.456 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.19 -23.46 66.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.496 0.718 . . . . 0.0 112.724 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 15.0 mtt85 -77.15 -41.45 41.7 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 123.352 0.661 . . . . 0.0 110.897 170.087 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.418 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 63.0 mt -67.59 -29.47 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.604 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -86.66 1.99 50.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.402 1.081 . . . . 0.0 111.089 174.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -85.52 1.32 49.43 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.674 1.19 . . . . 0.0 112.891 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.71 42.09 0.97 Allowed Glycine 0 CA--C 1.526 0.749 0 CA-C-N 118.472 0.578 . . . . 0.0 113.789 171.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -159.7 -176.37 5.7 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.832 0.853 . . . . 0.0 111.416 -169.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 39.9 m -117.97 -65.27 1.2 Allowed 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 118.994 -0.526 . . . . 0.0 110.433 167.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.45 108.51 1.09 Allowed Pre-proline 0 N--CA 1.455 -0.219 0 C-N-CA 123.898 0.879 . . . . 0.0 109.447 168.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -66.58 174.12 6.87 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 122.545 2.163 . . . . 0.0 114.966 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t0 . . . . . 0 N--CA 1.452 -0.36 0 C-N-CA 125.15 1.38 . . . . 0.0 111.74 -176.382 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -103.9 120.11 40.33 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 96.4 mt -129.04 136.71 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.675 0.79 . . . . 0.0 109.563 -170.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -137.55 163.86 30.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 111.036 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 98.99 5.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 167.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -105.03 133.45 49.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.701 1.6 . . . . 0.0 109.262 -174.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -99.86 167.62 10.4 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 120.347 1.431 . . . . 0.0 112.889 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.4 138.73 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.698 -169.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.93 -4.7 85.57 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 123.936 0.779 . . . . 0.0 114.114 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -93.07 178.76 5.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.641 1.221 . . . . 0.0 111.469 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -138.18 159.84 40.98 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -138.81 157.12 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 126.891 2.076 . . . . 0.0 108.379 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.14 149.1 47.08 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.458 -0.776 . . . . 0.0 112.984 -174.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.2 141.71 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.534 1.134 . . . . 0.0 109.358 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.02 48.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -126.73 8.13 6.88 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.996 0.918 . . . . 0.0 111.754 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.29 -3.13 1.96 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -171.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.99 134.32 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.856 0.753 . . . . 0.0 110.679 -175.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -128.86 142.57 50.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 109.964 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -123.86 140.24 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.126 1.37 . . . . 0.0 108.178 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -135.71 129.59 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.051 0.541 . . . . 0.0 109.934 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.34 104.24 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -74.25 -28.03 61.03 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.81 0.444 . . . . 0.0 111.187 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -172.76 34.54 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 123.424 0.535 . . . . 0.0 113.704 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -120.13 156.93 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -144.82 89.92 2.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.928 1.291 . . . . 0.0 109.029 169.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.75 -112.32 4.86 Favored Glycine 0 CA--C 1.526 0.773 0 O-C-N 121.469 -0.77 . . . . 0.0 111.539 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -90.43 -21.74 21.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 117.881 0.84 . . . . 0.0 111.579 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -69.24 145.65 52.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.71 114.74 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.29 123.17 32.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.16 134.82 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.755 0.822 . . . . 0.0 110.475 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.06 141.02 15.16 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.579 1.085 . . . . 0.0 111.449 171.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -130.87 128.58 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.045 1.338 . . . . 0.0 108.932 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -130.14 98.99 4.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -172.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 154.87 75.96 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.757 1.223 . . . . 0.0 110.596 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.71 157.75 40.92 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.097 173.006 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -71.62 -0.97 12.01 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.37 -21.78 66.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.481 1.112 . . . . 0.0 111.714 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.8 157.64 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.245 1.018 . . . . 0.0 110.393 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.18 14.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 129.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.766 0.427 . . . . 0.0 110.749 170.272 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -150.73 169.12 22.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.41 1.084 . . . . 0.0 110.279 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.86 151.83 44.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 168.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.1 -27.93 64.14 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.639 0.654 . . . . 0.0 111.254 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.56 -46.0 90.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.394 1.078 . . . . 0.0 111.117 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.45 -39.54 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.732 0.813 . . . . 0.0 109.952 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -56.44 -36.3 68.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.312 0.645 . . . . 0.0 111.839 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.01 -21.9 62.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -72.04 -24.43 61.54 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.801 0.728 . . . . 0.0 111.23 171.121 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.63 -28.72 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.164 1.386 . . . . 0.0 110.138 -174.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -85.21 3.16 40.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.91 4.07 1.3 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.09 39.76 1.24 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 118.924 0.784 . . . . 0.0 113.062 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.33 -34.57 0.05 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -166.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m 49.9 45.32 25.12 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.636 1.174 . . . . 0.0 111.989 -168.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.04 123.0 3.96 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 124.387 1.075 . . . . 0.0 109.656 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.43 -40.97 82.62 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.108 2.539 . . . . 0.0 113.683 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 122.952 0.501 . . . . 0.0 111.952 -169.103 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -98.63 149.0 23.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.061 0.544 . . . . 0.0 111.457 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.68 135.45 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.915 0.886 . . . . 0.0 108.858 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.49 161.22 35.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 109.951 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.6 101.99 7.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 168.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.26 132.93 53.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.767 1.627 . . . . 0.0 111.075 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -97.43 166.87 11.33 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 119.692 1.133 . . . . 0.0 113.432 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.32 136.57 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.78 -169.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.09 -7.04 78.94 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.257 0.932 . . . . 0.0 113.784 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -93.68 174.22 7.29 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.707 1.254 . . . . 0.0 112.404 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -138.73 161.15 37.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -169.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -142.25 152.94 18.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.613 1.965 . . . . 0.0 108.103 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.56 147.92 44.54 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.728 0.811 . . . . 0.0 111.674 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.55 140.51 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.731 1.212 . . . . 0.0 109.503 174.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.83 -132.27 43.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -130.08 9.99 5.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.503 0.721 . . . . 0.0 111.705 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -137.41 -17.84 1.3 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.674 0.789 . . . . 0.0 113.101 -172.166 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.66 132.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 118.733 0.697 . . . . 0.0 109.925 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -123.84 143.6 50.24 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.662 0.785 . . . . 0.0 110.167 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -122.87 143.05 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.448 1.499 . . . . 0.0 108.344 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.9 m -138.88 131.79 29.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.368 0.667 . . . . 0.0 109.917 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -89.29 110.96 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.19 -33.37 26.17 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.006 0.523 . . . . 0.0 110.754 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -172.19 40.32 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 114.019 0.368 . . . . 0.0 114.019 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.61 159.08 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.706 0.803 . . . . 0.0 112.013 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.06 89.94 1.64 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.022 1.329 . . . . 0.0 108.996 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -115.27 5.89 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.624 -0.591 . . . . 0.0 111.624 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -88.22 -23.64 23.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.398 0.599 . . . . 0.0 111.556 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -73.64 146.9 44.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.684 0.754 . . . . 0.0 110.955 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.94 119.63 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -171.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -82.33 116.77 21.98 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.683 0.793 . . . . 0.0 109.048 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.76 138.51 54.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 123.493 0.717 . . . . 0.0 110.276 -172.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.36 143.97 16.33 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.186 0.898 . . . . 0.0 112.025 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.89 138.28 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.103 1.361 . . . . 0.0 109.784 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -126.8 107.0 9.73 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.874 1.27 . . . . 0.0 109.054 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.29 157.24 75.09 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.773 0.829 . . . . 0.0 111.589 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.6 161.7 34.34 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.923 2.415 . . . . 0.0 112.018 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -71.48 -5.08 30.37 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.449 0.7 . . . . 0.0 112.613 172.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.33 -19.55 63.06 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.742 1.217 . . . . 0.0 112.485 172.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -129.11 166.3 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.965 0.906 . . . . 0.0 111.127 -177.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.83 163.11 12.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.81 0.844 . . . . 0.0 111.193 173.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.06 127.01 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.33 0.652 . . . . 0.0 110.36 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -152.08 176.08 11.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.964 0.906 . . . . 0.0 110.335 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -79.07 163.37 25.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.07 -32.23 67.84 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.976 0.51 . . . . 0.0 112.266 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.51 -44.82 81.14 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.218 1.007 . . . . 0.0 111.732 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 mm -91.06 -29.28 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.769 0.828 . . . . 0.0 110.491 -169.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.86 -35.94 35.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.118 0.967 . . . . 0.0 112.752 175.253 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -59.57 -21.94 61.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.322 1.049 . . . . 0.0 112.647 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -77.8 -22.96 49.27 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.753 0.821 . . . . 0.0 110.644 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.51 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.1 mp -95.42 -24.44 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.702 1.201 . . . . 0.0 109.628 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -85.41 -52.08 6.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 169.265 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.94 -11.49 19.7 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -164.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -141.29 -26.76 0.2 Allowed Glycine 0 CA--C 1.525 0.667 0 CA-C-N 119.309 0.959 . . . . 0.0 112.985 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 65.77 159.24 0.12 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 128.681 2.792 . . . . 0.0 113.348 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -96.99 1.13 49.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.741 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.98 134.29 17.92 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.214 1.006 . . . . 0.0 109.838 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -65.47 -179.87 1.36 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.044 2.496 . . . . 0.0 113.246 171.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.455 -0.215 0 C-N-CA 124.317 1.047 . . . . 0.0 112.546 176.027 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 111.649 3.449 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.628 3.428 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.595 4.395 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 O4'-C1'-N19 111.904 3.704 . 0.226 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.445 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C5'-C4'-C3' 110.234 -3.51 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.445 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 C5'-C4'-C3' 108.903 -4.398 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 C5'-C4'-C3' 108.378 -4.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C3'-C2'-C1' 104.019 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 O5'-C5'-C4' 113.444 2.317 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.79 3.656 . 0.112 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.919 3.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.975 0 C5'-C4'-C3' 112.211 -2.193 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 C5'-C4'-C3' 108.584 -4.61 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C4'-C3'-C2' 100.127 -2.573 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.753 3.553 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 111.223 3.023 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 O4'-C1'-N19 112.042 3.842 . 0.71 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C5'-C4'-C3' 110.573 -3.284 . 0.132 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.016 2.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 O4'-C1'-N19 111.859 3.659 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 1 O4'-C1'-N19 112.68 4.48 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 O4'-C1'-N19 111.035 2.835 . 0.033 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.89 4.69 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 112.106 3.906 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C5'-C4'-C3' 110.173 -3.551 . 0.374 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 O4'-C1'-N19 111.005 2.805 . 0.364 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.409 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 C5'-C4'-C3' 111.87 -2.42 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 C5'-C4'-C3' 112.033 -2.311 . 0.071 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 111.403 -2.731 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 C5'-C4'-C3' 109.166 -4.223 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 1 P-O3'-C3' 125.271 4.643 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 O4'-C1'-N19 111.345 3.145 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 112.238 4.038 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 C4'-C3'-C2' 99.052 -3.648 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 C4'-C3'-C2' 99.699 -3.001 . 0.262 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.819 3.619 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 109.867 -3.756 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 110.608 -3.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 C3'-C2'-C1' 104.166 2.963 . 0.214 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 1 O4'-C1'-N19 113.12 4.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 1 C5'-C4'-C3' 109.255 -4.163 . 0.021 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 2 C3'-C2'-C1' 106.305 5.339 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O4'-C1'-N19 112.987 4.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 113.04 4.84 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.744 4.544 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C4'-C3'-C2' 99.779 -2.921 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.396 3.196 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 1 C3'-C2'-C1' 105.488 4.431 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C4'-C3'-C2' 99.975 -2.725 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C5'-C4'-C3' 111.071 -2.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 0 C5'-C4'-C3' 110.994 -3.004 . 0.394 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.437 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.294 3 O5'-C5'-C4' 117.817 5.441 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 1 P-O3'-C3' 127.009 6.091 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 O4'-C1'-N19 112.196 3.996 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C4'-C3'-C2' 99.898 -2.802 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 111.203 3.003 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C5'-C4'-C3' 111.557 -2.629 . 0.806 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.3 3.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 111.992 3.792 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 111.278 3.078 . 0.219 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 O4'-C1'-N19 111.857 3.657 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 O4'-C1'-N19 112.119 3.919 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C3'-C2'-C1' 104.129 2.921 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 C4'-C3'-C2' 99.218 -3.482 . 0.012 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 110.571 2.371 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 0 C5'-C4'-C3' 110.624 -3.251 . 0.155 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 2 C5'-C4'-C3' 105.692 -6.539 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 1 P-O3'-C3' 125.926 5.188 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 O4'-C1'-N19 110.958 2.758 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.613 4.413 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C4'-C3'-C2' 99.734 -2.966 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 0 O4'-C1'-N19 111.176 2.976 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.21 113.97 25.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.697 0.799 . . . . 0.0 109.745 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.12 134.34 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.531 0.732 . . . . 0.0 109.412 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.5 mt -131.2 158.8 39.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.192 0.997 . . . . 0.0 109.909 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -128.09 100.89 6.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.706 0.802 . . . . 0.0 108.93 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -122.57 156.54 34.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.932 -0.48 . . . . 0.0 111.251 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -108.82 163.16 13.52 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.316 1.047 . . . . 0.0 110.395 -168.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG13 ' HA2' ' A' ' 24' ' ' GLY . 77.6 t -48.23 128.85 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.736 0.414 . . . . 0.0 111.124 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.15 74.02 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.142 0.877 . . . . 0.0 113.976 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -95.82 169.91 9.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.51 1.155 . . . . 0.0 112.262 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -138.04 154.09 49.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.6 mm -120.12 157.69 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.311 1.844 . . . . 0.0 109.713 175.362 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -130.41 136.67 49.28 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.078 0.951 . . . . 0.0 111.055 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -132.9 128.84 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.412 1.085 . . . . 0.0 109.582 -176.213 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.36 -125.94 21.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -129.28 -0.98 5.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.043 0.937 . . . . 0.0 111.827 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -146.29 -2.05 0.7 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -168.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.32 134.36 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.514 1.052 . . . . 0.0 110.718 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -133.88 132.66 40.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.918 0.887 . . . . 0.0 110.078 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 mm -112.99 145.56 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.26 1.024 . . . . 0.0 109.088 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -137.06 132.77 34.63 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.224 0.61 . . . . 0.0 110.429 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.88 99.2 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -29.17 64.4 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -175.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.95 175.41 38.9 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-N 117.87 0.305 . . . . 0.0 113.844 168.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.54 152.22 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.825 0.85 . . . . 0.0 111.505 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -139.08 61.02 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.847 1.259 . . . . 0.0 109.377 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.65 -122.22 6.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -174.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.56 -15.17 58.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.6 pt20 -98.75 146.05 26.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 122.662 1.22 . . . . 0.0 111.72 170.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -128.74 120.03 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 126.073 1.749 . . . . 0.0 108.334 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -90.51 101.86 14.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.5 mt -108.81 135.23 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.759 1.224 . . . . 0.0 109.223 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.54 139.26 15.25 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 123.743 0.687 . . . . 0.0 111.538 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.44 135.67 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.209 1.404 . . . . 0.0 108.809 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -116.93 78.14 1.18 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.368 1.067 . . . . 0.0 109.084 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.37 153.76 45.54 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.63 0.772 . . . . 0.0 110.583 172.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.21 155.5 46.82 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.685 2.257 . . . . 0.0 110.51 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -69.24 -2.79 11.46 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -69.77 -26.12 64.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.962 0.905 . . . . 0.0 111.968 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -114.98 144.05 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.899 0.857 . . . . 0.0 111.631 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.37 143.03 30.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.782 0.833 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 m -132.58 127.52 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.926 0.49 . . . . 0.0 110.169 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CD2' HD11 ' A' ' 51' ' ' ILE . 99.4 m-70 -152.73 161.52 42.46 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.524 0.73 . . . . 0.0 110.475 -172.647 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 163.7 16.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 122.122 -0.362 . . . . 0.0 111.402 168.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.82 -24.03 64.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.754 0.422 . . . . 0.0 112.119 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.38 -27.32 68.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.269 1.027 . . . . 0.0 112.676 169.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.35 -24.45 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.359 1.064 . . . . 0.0 110.889 -169.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -60.59 -32.06 71.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.597 -0.689 . . . . 0.0 110.674 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -75.44 -12.75 60.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.45 0.7 . . . . 0.0 111.992 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.98 -32.8 39.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.865 0.866 . . . . 0.0 110.765 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.531 HD11 ' CD2' ' A' ' 43' ' ' HIS . 23.3 mt -64.68 -53.2 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.769 0.827 . . . . 0.0 108.848 172.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -84.08 5.12 27.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.824 0.849 . . . . 0.0 112.416 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.68 69.84 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.788 0.435 . . . . 0.0 110.959 168.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.26 18.88 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.47 170.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 56' ' ' THR . 16.6 mt -94.55 90.58 6.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.891 1.346 . . . . 0.0 108.227 -176.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.1 p 169.8 170.17 0.05 Allowed 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.965 2.106 . . . . 0.0 108.52 -169.465 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.64 152.12 46.63 Favored Pre-proline 0 N--CA 1.454 -0.229 0 O-C-N 121.897 -0.502 . . . . 0.0 110.636 168.376 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -75.59 163.63 33.71 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.157 2.571 . . . . 0.0 112.208 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 124.641 1.176 . . . . 0.0 111.811 177.211 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.31 123.18 49.53 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 169.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -120.01 138.14 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 122.965 0.506 . . . . 0.0 112.361 -165.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.5 mt -142.67 137.95 30.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.494 1.118 . . . . 0.0 111.159 -173.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 36.5 p -86.71 123.38 31.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 166.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -116.55 126.49 53.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.815 0.446 . . . . 0.0 110.382 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 19.5 tttp -83.98 150.1 25.86 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.068 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 33.0 m -56.52 130.52 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.388 0.54 . . . . 0.0 111.148 -171.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.9 61.37 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.65 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -86.69 166.14 15.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.97 1.385 . . . . 0.0 112.058 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -130.72 155.39 46.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mm -132.76 149.79 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 126.934 2.093 . . . . 0.0 108.598 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 29.4 m-80 -130.96 140.75 50.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.029 0.931 . . . . 0.0 110.484 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.55 126.29 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.309 1.044 . . . . 0.0 109.431 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.77 -133.04 52.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.97 4.99 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.673 0.789 . . . . 0.0 113.02 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -111.39 -19.86 12.45 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.73 136.09 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 119.2 0.909 . . . . 0.0 111.618 -169.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -130.85 148.16 52.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.989 1.316 . . . . 0.0 109.474 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -131.01 144.22 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.483 1.513 . . . . 0.0 108.011 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -137.35 129.84 29.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.912 0.485 . . . . 0.0 110.115 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.52 102.27 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.55 -33.46 71.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.803 -0.561 . . . . 0.0 110.438 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 162.51 178.02 36.02 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 170.114 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -105.42 148.84 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 O-C-N 122.396 -0.473 . . . . 0.0 109.888 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -123.52 77.88 1.54 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.91 -119.39 4.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.14 10.44 40.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.139 0.576 . . . . 0.0 110.953 172.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.92 155.75 17.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.04 0.936 . . . . 0.0 110.069 170.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.59 113.21 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 123.136 0.574 . . . . 0.0 109.566 -169.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.0 116.2 24.89 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.355 1.462 . . . . 0.0 109.576 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.17 129.95 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.246 1.018 . . . . 0.0 109.72 -170.064 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.3 136.71 13.15 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.67 129.59 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.75 0.82 . . . . 0.0 109.197 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -129.78 80.08 1.94 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.484 -168.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.82 72.5 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.693 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' PRO . . . . . 0.409 ' O ' HG22 ' B' ' 40' ' ' VAL . 41.2 Cg_endo -60.52 156.78 39.84 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.645 1.563 . . . . 0.0 110.232 168.767 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.68 -0.87 19.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.998 0.904 . . . . 0.0 111.884 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.83 -22.16 66.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.644 1.578 . . . . 0.0 111.506 170.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 37' ' ' PRO . 14.2 m -112.27 144.06 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.373 1.069 . . . . 0.0 109.524 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.47 28.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 111.389 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.65 99.46 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.833 -166.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.437 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.6 OUTLIER -143.11 168.74 19.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.88 0.872 . . . . 0.0 110.213 177.154 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.51 157.59 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.178 -0.326 . . . . 0.0 111.426 169.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -53.57 -40.08 65.31 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.482 0.713 . . . . 0.0 112.058 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -49.73 30.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.737 0.815 . . . . 0.0 111.592 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.11 -45.51 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.835 1.254 . . . . 0.0 110.817 -175.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.39 -36.38 43.18 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.2 1.0 . . . . 0.0 111.856 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -68.9 -23.89 64.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.4 mpt_? -81.62 -39.66 24.13 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.064 0.847 . . . . 0.0 110.313 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.0 mt -62.78 -40.72 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -177.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -80.27 4.27 18.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 174.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.88 -17.93 51.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.179 0.591 . . . . 0.0 111.344 168.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.31 47.66 0.1 OUTLIER Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.49 -0.616 . . . . 0.0 114.121 169.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.02 -176.95 2.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.857 0.828 . . . . 0.0 112.76 -168.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -127.26 -176.42 3.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 125.429 1.491 . . . . 0.0 109.448 168.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.95 119.0 3.13 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 123.666 0.787 . . . . 0.0 111.126 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.26 -50.12 12.02 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.921 2.414 . . . . 0.0 112.484 -169.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.591 0.71 . . . . 0.0 111.055 -175.472 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 101.327 -3.583 . . . . 0.0 101.327 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.21 110.49 22.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -169.256 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.401 HG21 ' N7 ' ' G' ' 12' ' ' ' A' . 4.1 mp -85.19 130.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -123.82 137.53 54.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.834 0.854 . . . . 0.0 109.605 170.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.6 p -94.29 136.99 33.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.47 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.35 141.86 43.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.971 0.508 . . . . 0.0 110.792 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -80.26 156.37 26.87 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.635 1.174 . . . . 0.0 108.61 169.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -60.45 135.17 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.53 -3.67 81.79 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.677 1.132 . . . . 0.0 114.086 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -90.11 176.81 6.63 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.097 1.449 . . . . 0.0 112.257 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -139.13 157.78 45.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -167.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -136.82 158.01 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.799 2.44 . . . . 0.0 108.203 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -131.31 145.25 51.79 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.214 1.005 . . . . 0.0 111.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.84 139.39 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.691 1.196 . . . . 0.0 109.733 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -131.19 51.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -129.99 9.96 5.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.772 0.829 . . . . 0.0 110.985 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.01 -11.34 4.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.696 1.198 . . . . 0.0 112.966 -169.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.04 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.133 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.9 m -123.45 138.21 54.63 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.683 0.793 . . . . 0.0 109.691 175.048 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.46 140.71 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.993 1.317 . . . . 0.0 108.522 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.8 m -136.78 128.18 28.35 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.907 -0.496 . . . . 0.0 110.471 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.54 106.57 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.36 -33.68 28.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.02 -171.89 41.96 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 121.756 -0.259 . . . . 0.0 113.299 168.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.25 153.52 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.281 0.632 . . . . 0.0 110.737 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.4 p -143.73 110.46 5.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.082 0.953 . . . . 0.0 108.866 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.36 -124.7 35.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -169.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -95.47 -0.51 52.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.057 0.943 . . . . 0.0 112.242 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -83.89 153.12 24.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 t -131.2 121.78 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.495 1.118 . . . . 0.0 108.173 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -80.62 112.05 17.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.67 130.16 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.255 1.422 . . . . 0.0 108.9 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.52 139.46 14.41 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.524 1.059 . . . . 0.0 111.771 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.44 113.14 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 125.055 1.342 . . . . 0.0 107.826 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -123.25 94.42 4.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 110.258 -168.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.99 158.09 76.18 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.684 1.193 . . . . 0.0 109.901 -175.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.48 149.5 89.37 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.375 2.05 . . . . 0.0 110.91 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -65.35 -0.92 2.06 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.676 0.79 . . . . 0.0 112.604 173.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.9 -24.19 66.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.473 1.109 . . . . 0.0 111.491 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.57 148.33 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.15 0.98 . . . . 0.0 110.493 174.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.09 21.95 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.559 0.344 . . . . 0.0 111.357 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 m -136.76 129.99 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -153.12 150.28 28.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.995 0.518 . . . . 0.0 111.089 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -71.09 157.72 37.7 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 167.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.55 -34.58 72.85 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -168.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.92 -23.01 64.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.3 mm -94.06 -35.61 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.605 0.762 . . . . 0.0 110.735 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -52.84 -33.95 51.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.171 0.989 . . . . 0.0 112.586 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.53 -27.66 68.77 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.509 0.724 . . . . 0.0 112.622 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -69.14 -36.0 76.98 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.231 0.612 . . . . 0.0 111.644 172.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.412 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp -69.29 -18.94 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 O-C-N 122.027 -0.421 . . . . 0.0 110.043 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -91.18 -7.28 51.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.588 0.755 . . . . 0.0 112.563 171.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.87 -21.02 22.73 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.362 1.065 . . . . 0.0 112.479 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.33 142.09 12.9 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.039 0.828 . . . . 0.0 111.824 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.0 162.6 41.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.108 0.963 . . . . 0.0 111.912 -171.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.7 t 45.99 -162.37 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 126.644 1.978 . . . . 0.0 113.398 -176.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 128.18 93.63 Favored Pre-proline 0 N--CA 1.452 -0.346 0 O-C-N 121.386 -0.822 . . . . 0.0 110.428 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -66.0 174.21 6.12 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.533 2.156 . . . . 0.0 113.183 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.455 -0.19 0 C-N-CA 124.004 0.922 . . . . 0.0 112.563 179.464 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.419 ' HE2' ' C6 ' ' G' ' 67' ' ' ' C' . 8.4 ttp . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.97 124.92 50.55 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.798 1.639 . . . . 0.0 108.938 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.407 HD11 " H5'" ' G' ' 67' ' ' ' C' . 4.2 mp -120.45 136.98 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.214 1.006 . . . . 0.0 109.799 -169.24 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -136.87 162.38 33.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.943 1.297 . . . . 0.0 111.582 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.91 113.45 23.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 165.371 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.406 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.7 OUTLIER -114.6 144.17 43.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 168.12 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -78.43 161.12 27.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 110.11 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -54.28 135.3 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.441 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.27 78.1 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.42 1.01 . . . . 0.0 114.186 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -99.88 171.83 7.62 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.043 1.421 . . . . 0.0 112.169 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -129.4 155.76 45.15 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -168.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' D' ' 6' ' ' ARG . 30.4 mt -140.75 158.07 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 126.5 1.92 . . . . 0.0 109.199 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -130.07 149.5 51.76 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.669 1.188 . . . . 0.0 111.71 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.4 mt -135.33 134.2 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 125.055 1.342 . . . . 0.0 109.228 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.48 -134.53 52.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.49 9.95 5.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.961 0.905 . . . . 0.0 112.441 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -124.04 -14.22 7.14 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.82 134.6 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.983 0.81 . . . . 0.0 110.923 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -125.06 144.79 50.23 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.201 1.001 . . . . 0.0 109.865 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.43 140.92 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.164 1.386 . . . . 0.0 108.282 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -134.99 125.59 26.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -81.53 107.92 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 mt -83.17 -30.9 27.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.09 -0.381 . . . . 0.0 110.56 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.91 -177.65 40.34 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.472 -0.394 . . . . 0.0 113.382 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -108.75 160.56 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.217 0.607 . . . . 0.0 111.567 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -142.6 79.85 1.67 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.426 1.49 . . . . 0.0 108.162 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -114.93 5.8 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.7 -15.62 34.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.055 0.942 . . . . 0.0 111.105 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -83.44 159.16 21.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.363 0.602 . . . . 0.0 112.227 175.247 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 17.6 t -141.0 122.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.307 1.043 . . . . 0.0 108.454 -172.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -82.33 120.1 24.98 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.295 0.638 . . . . 0.0 109.917 171.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -125.9 118.34 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.081 0.953 . . . . 0.0 109.468 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.22 143.2 23.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.357 1.456 . . . . 0.0 110.909 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.6 138.58 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.53 97.19 3.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -172.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.24 153.02 79.23 Favored Pre-proline 0 N--CA 1.451 -0.382 0 C-N-CA 124.599 1.159 . . . . 0.0 109.478 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -60.88 150.21 84.56 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.18 1.92 . . . . 0.0 110.593 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -69.05 -0.9 6.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 174.709 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.07 -22.58 65.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.749 1.22 . . . . 0.0 111.357 168.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -124.22 159.03 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.318 1.047 . . . . 0.0 110.585 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.34 157.04 17.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.299 0.64 . . . . 0.0 112.079 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.98 128.32 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 O-C-N 121.688 -0.633 . . . . 0.0 110.604 168.852 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -149.58 167.7 25.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.917 0.887 . . . . 0.0 111.353 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -64.94 157.7 27.39 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 167.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -63.25 -34.84 78.53 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.476 -0.765 . . . . 0.0 111.522 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -27.71 67.61 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.473 0.709 . . . . 0.0 112.728 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.477 HG23 ' C6 ' ' G' ' 7' ' ' ' C' . 11.4 mm -84.3 -37.5 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.017 0.927 . . . . 0.0 110.912 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -53.1 -37.44 61.71 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.064 0.946 . . . . 0.0 111.806 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.08 -21.04 64.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.68 1.192 . . . . 0.0 113.579 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.35 -34.36 42.18 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.378 1.071 . . . . 0.0 110.696 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.598 HD12 ' N ' ' D' ' 51' ' ' ILE . 1.4 mp -79.91 -18.65 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.933 1.693 . . . . 0.0 109.213 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 3.9 mm100 -92.49 0.8 57.47 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.692 -0.63 . . . . 0.0 112.66 169.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 -50.36 2.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.308 1.043 . . . . 0.0 112.618 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.27 7.1 0.04 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 115.899 1.12 . . . . 0.0 115.899 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.45 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 59.57 50.28 7.55 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.665 1.186 . . . . 0.0 110.117 165.811 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . 0.379 0.1 OUTLIER -75.0 3.9 7.56 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 117.742 2.497 . . . . 0.0 117.742 -162.572 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.22 78.97 18.28 Favored Pre-proline 0 N--CA 1.453 -0.284 0 C-N-CA 123.267 0.627 . . . . 0.0 109.884 167.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.86 150.29 72.71 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.543 2.829 . . . . 0.0 112.482 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t0 . . . . . 0 CA--C 1.532 0.251 0 C-N-CA 124.981 1.312 . . . . 0.0 113.392 170.43 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.35 144.53 46.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.281 1.033 . . . . 0.0 110.05 -177.012 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.49 126.78 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 170.205 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.61 163.67 19.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.559 1.544 . . . . 0.0 110.422 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.46 126.81 33.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 168.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' E' ' 6' ' ' ARG . 3.5 tpm_? -135.24 128.67 32.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.309 1.044 . . . . 0.0 109.752 -169.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -88.08 163.88 16.02 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 119.399 1.0 . . . . 0.0 112.753 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -59.27 137.92 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.173 -174.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.84 -5.44 82.08 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.037 -0.868 . . . . 0.0 114.21 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -96.36 -178.96 4.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.9 1.35 . . . . 0.0 111.535 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.51 160.96 37.68 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mm -133.63 155.71 40.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 127.731 2.412 . . . . 0.0 108.105 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.34 150.76 50.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.17 -0.956 . . . . 0.0 113.399 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -138.14 139.32 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.765 1.226 . . . . 0.0 109.219 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.23 -137.03 47.84 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -125.06 8.47 8.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.191 0.997 . . . . 0.0 111.605 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -136.31 -7.02 2.02 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.55 133.94 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 118.77 0.714 . . . . 0.0 110.771 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -126.85 142.57 51.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.442 1.097 . . . . 0.0 110.044 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -121.51 137.25 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 108.125 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 53.9 m -133.28 126.71 32.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 109.705 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.02 99.71 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.35 -30.44 68.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.962 -0.461 . . . . 0.0 110.904 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.2 -169.14 33.69 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.038 0.351 . . . . 0.0 113.484 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -125.28 158.84 33.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.645 0.778 . . . . 0.0 112.504 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -146.52 89.97 1.89 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.922 1.289 . . . . 0.0 109.46 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.92 -104.3 1.69 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 -176.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -100.45 -15.7 17.82 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.253 0.621 . . . . 0.0 111.798 171.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.07 146.48 39.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.627 0.727 . . . . 0.0 109.344 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -140.0 108.01 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -87.89 123.23 32.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.25 130.21 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.833 0.853 . . . . 0.0 110.335 -168.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.11 138.36 14.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.66 132.2 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.348 1.059 . . . . 0.0 109.152 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -132.14 98.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -172.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.4 155.33 80.85 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.671 1.188 . . . . 0.0 110.322 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.02 157.76 42.34 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.75 2.3 . . . . 0.0 112.107 172.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -71.6 -1.01 12.08 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.449 0.7 . . . . 0.0 112.63 172.858 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.74 -22.8 66.04 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.654 1.182 . . . . 0.0 111.754 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -122.49 158.64 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.046 0.938 . . . . 0.0 110.733 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.66 158.21 16.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.896 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.99 129.4 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.029 0.532 . . . . 0.0 110.239 169.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -151.2 169.29 22.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.2 1.0 . . . . 0.0 110.317 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -64.6 156.27 30.56 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.32 -23.83 67.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.145 -0.347 . . . . 0.0 111.254 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.13 -50.41 69.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.18 0.992 . . . . 0.0 111.029 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -79.32 -33.15 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.77 -35.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.673 0.789 . . . . 0.0 112.272 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.34 -25.18 64.07 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.147 0.579 . . . . 0.0 112.522 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -72.15 -25.97 61.92 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.025 0.53 . . . . 0.0 110.297 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.433 ' O ' HD21 ' E' ' 55' ' ' LEU . 90.6 mt -98.91 -29.68 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.32 1.048 . . . . 0.0 110.912 -169.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 23.1 mm100 -85.09 3.16 40.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.43 4.08 0.26 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 171.451 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 54' ' ' GLY . . . . . 0.71 ' C ' HD13 ' E' ' 55' ' ' LEU . . . 134.79 -120.85 2.48 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 125.913 1.721 . . . . 0.0 109.884 -169.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.71 HD13 ' C ' ' E' ' 54' ' ' GLY . 0.0 OUTLIER 36.43 -11.87 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.259 2 C-N-CA 132.868 4.467 . . . . 0.0 122.976 163.167 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' E' E ' 56' ' ' THR . . . . . 0.59 ' N ' HD22 ' E' ' 55' ' ' LEU . 7.2 p -61.58 -25.81 67.56 Favored 'General case' 0 N--CA 1.458 -0.075 0 CA-C-N 121.836 2.107 . . . . 0.0 112.762 -165.344 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.41 96.05 34.17 Favored Pre-proline 0 N--CA 1.45 -0.43 0 C-N-CA 124.568 1.147 . . . . 0.0 108.036 167.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -57.28 -40.84 79.13 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.165 2.577 . . . . 0.0 113.219 -171.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.451 -0.42 0 C-N-CA 123.269 0.628 . . . . 0.0 110.782 -168.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.254 0.073 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -94.79 150.22 20.43 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.074 0.55 . . . . 0.0 111.571 174.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.58 132.37 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 169.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -129.91 159.4 36.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.014 1.326 . . . . 0.0 109.937 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -130.39 102.19 6.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' F' ' 12' ' ' ILE . 1.2 mmp_? -104.86 162.02 13.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.542 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -118.15 173.43 6.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 169.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -57.06 135.31 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.818 -169.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.0 -4.36 78.07 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.357 0.98 . . . . 0.0 114.185 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -99.57 171.59 7.83 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.651 1.225 . . . . 0.0 112.329 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -138.31 166.84 23.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.419 HD11 ' HG3' ' F' ' 6' ' ' ARG . 13.4 mt -152.18 156.41 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 128.455 2.702 . . . . 0.0 107.402 -169.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -136.25 152.35 50.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.47 -0.768 . . . . 0.0 112.534 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.37 141.39 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.721 1.208 . . . . 0.0 108.878 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.52 -134.36 52.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -174.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.67 10.11 6.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.422 1.089 . . . . 0.0 112.399 174.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -133.33 -17.26 2.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -100.35 137.67 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.285 0.948 . . . . 0.0 110.871 -171.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -132.58 139.55 47.86 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.395 1.078 . . . . 0.0 110.132 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.5 mm -121.17 143.18 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.906 1.282 . . . . 0.0 108.621 175.028 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -138.96 128.54 24.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.609 0.764 . . . . 0.0 109.923 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.21 117.71 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -86.37 -30.62 22.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.177 0.591 . . . . 0.0 111.055 -176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.93 -175.28 33.75 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 122.888 0.28 . . . . 0.0 113.507 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.84 157.93 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 123.102 0.561 . . . . 0.0 112.154 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -149.98 103.45 3.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.443 1.097 . . . . 0.0 109.118 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.44 -114.22 6.32 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -96.59 -15.24 21.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.177 0.489 . . . . 0.0 112.189 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.73 142.3 38.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.531 0.732 . . . . 0.0 110.386 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.7 t -132.48 113.79 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -174.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -88.4 127.51 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.425 0.69 . . . . 0.0 109.52 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -133.21 135.31 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.905 0.882 . . . . 0.0 110.555 -168.051 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.82 138.72 14.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.243 0.925 . . . . 0.0 111.102 170.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.4 mt -130.99 130.17 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.627 1.171 . . . . 0.0 108.732 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -133.3 108.57 8.82 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.053 0.541 . . . . 0.0 109.72 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.63 158.74 74.84 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 124.01 0.924 . . . . 0.0 111.257 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.08 162.42 32.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.927 2.418 . . . . 0.0 112.239 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.1 -11.39 58.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.569 0.748 . . . . 0.0 112.61 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -19.79 66.16 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.034 1.334 . . . . 0.0 112.627 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -128.21 164.79 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.848 0.859 . . . . 0.0 111.224 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 162.53 13.53 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.733 172.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -154.95 119.92 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.68 0.792 . . . . 0.0 110.078 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.56 176.16 12.01 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.695 0.798 . . . . 0.0 110.658 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -80.38 163.88 23.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.83 -0.544 . . . . 0.0 110.104 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.16 -31.18 68.75 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.912 0.485 . . . . 0.0 112.261 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -47.59 78.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.9 0.88 . . . . 0.0 111.443 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -86.84 -29.95 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.643 0.777 . . . . 0.0 110.327 -170.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -50.95 -36.7 40.17 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.298 1.039 . . . . 0.0 112.693 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.59 -21.93 63.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 112.395 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.48 -22.95 53.85 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.808 0.843 . . . . 0.0 110.737 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.498 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.4 mp -96.88 -23.27 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.822 1.249 . . . . 0.0 109.84 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -85.39 -49.48 8.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 170.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.42 -24.48 13.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.31 -28.79 0.89 Allowed Glycine 0 CA--C 1.526 0.725 0 CA-C-N 118.757 0.708 . . . . 0.0 112.171 -170.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 67.05 155.99 0.1 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 129.007 2.923 . . . . 0.0 113.407 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -99.04 144.6 28.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.329 -176.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.12 73.19 0.98 Allowed Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 125.259 1.424 . . . . 0.0 112.768 -169.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.39 174.32 1.58 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.552 2.834 . . . . 0.0 114.143 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 N--CA 1.453 -0.299 0 C-N-CA 124.685 1.194 . . . . 0.0 112.79 177.665 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.973 3.773 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.602 3.402 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 O4'-C1'-N19 112.7 4.5 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.89 3.69 . 0.315 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 O4'-C1'-N19 111.814 3.614 . 0.067 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C5'-C4'-O4' 113.935 3.382 . 0.101 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.592 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.018 1 O4'-C1'-N19 112.343 4.143 . 0.324 7d . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C5'-C4'-C3' 111.006 -2.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 O4'-C1'-N19 110.769 2.569 . 0.018 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 1 C3'-C2'-C1' 105.254 4.171 . 0.127 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 112.196 3.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.441 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 C5'-C4'-C3' 111.602 -2.599 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 108.743 -4.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 99.942 -2.758 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 111.475 3.275 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 O4'-C1'-N19 111.515 3.315 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 C5'-C4'-C3' 109.687 -3.875 . 0.725 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-C3' 110.656 -3.23 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 110.957 2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 111.967 3.767 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 1 O4'-C1'-N19 112.591 4.391 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 0 O4'-C1'-N19 110.725 2.525 . 0.217 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.925 4.725 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 112.085 3.885 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 N19-C1'-C2' 108.635 -2.978 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.97 0 O5'-C5'-C4' 114.36 2.972 . 0.426 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.437 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C5'-C4'-C3' 111.949 -2.367 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.393 0 C5'-C4'-C3' 112.187 -2.209 . 0.044 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C5'-C4'-C3' 111.134 -2.911 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.604 3.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 C4'-C3'-C2' 100.3 -2.4 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.169 2.969 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 1 O4'-C1'-N19 112.386 4.186 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C4'-C3'-C2' 99.236 -3.464 . 0.462 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 0 C4'-C3'-C2' 99.758 -2.942 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 111.986 3.786 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 2 O4'-C1'-N19 112.796 4.596 OUTLIER-EPSILON 0.108 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 P-O3'-C3' 124.589 4.074 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 C3'-C2'-C1' 104.142 2.936 . 0.187 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 1 O4'-C1'-N19 113.231 5.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 1 C5'-C4'-C3' 109.083 -4.278 . 0.038 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.906 3.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C5'-C4'-C3' 111.099 -2.934 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 O4'-C1'-N19 112.279 4.079 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 112.145 3.945 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.064 2.864 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.348 4.148 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 105.066 3.962 . 0.249 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 C4'-C3'-C2' 99.744 -2.956 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 0 C5'-C4'-C3' 111.455 -2.697 . 0.395 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 1 O5'-C5'-C4' 116.826 4.733 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 C5'-C4'-C3' 111.468 -2.688 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 1 O4'-C1'-N19 112.468 4.268 . 0.921 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C5'-C4'-O4' 112.297 2.212 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 110.826 2.626 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C5'-C4'-C3' 111.248 -2.834 . 0.245 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.853 3.653 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 112.063 3.863 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 O4'-C1'-N19 111.403 3.203 . 0.201 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 111.881 3.681 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 O4'-C1'-N19 112.056 3.856 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 C3'-C2'-C1' 104.194 2.993 . 0.254 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 99.272 -3.428 . 0.017 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 P-O3'-C3' 122.43 2.275 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . 0.58 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.267 1 C3'-C2'-C1' 105.256 4.174 . 0.454 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.58 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.581 1 O5'-C5'-C4' 121.511 8.079 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.564 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.26 1 P-O3'-C3' 126.118 5.349 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O4'-C1'-N19 110.951 2.751 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 O4'-C1'-N19 112.777 4.577 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C4'-C3'-C2' 99.833 -2.867 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 110.716 2.516 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.0 ttp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.24 110.06 22.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.67 0.788 . . . . 0.0 109.534 -175.735 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -92.64 135.88 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -131.58 162.28 30.7 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.971 0.908 . . . . 0.0 110.169 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.8 m -126.18 100.81 6.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.67 139.45 52.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.363 1.065 . . . . 0.0 110.237 -167.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -106.78 161.09 14.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.008 0.367 . . . . 0.0 110.174 -169.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -49.55 125.26 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.926 0.49 . . . . 0.0 110.034 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.31 -7.12 80.8 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.375 0.988 . . . . 0.0 114.994 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -76.58 155.44 33.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.087 1.444 . . . . 0.0 111.645 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -128.78 147.19 50.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.627 0.771 . . . . 0.0 112.232 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 19.0 mm -124.66 156.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.647 1.979 . . . . 0.0 108.09 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -132.23 136.76 47.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.955 0.902 . . . . 0.0 110.247 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -132.68 130.69 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.187 0.995 . . . . 0.0 109.673 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.7 -130.68 36.99 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -126.65 2.31 6.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.664 0.785 . . . . 0.0 112.242 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -134.72 -13.53 2.22 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.2 135.78 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.074 0.852 . . . . 0.0 110.763 -173.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -130.07 141.51 50.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.414 1.086 . . . . 0.0 109.498 172.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -123.35 137.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.49 1.116 . . . . 0.0 108.771 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -129.64 143.38 50.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.906 0.882 . . . . 0.0 109.895 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -98.01 112.64 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 168.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.87 -23.12 39.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -169.14 36.74 Favored Glycine 0 C--N 1.338 0.658 0 C-N-CA 123.284 0.469 . . . . 0.0 113.259 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.53 155.9 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.66 0.784 . . . . 0.0 111.497 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -138.76 62.17 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.973 1.309 . . . . 0.0 109.575 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.26 -120.67 9.54 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -173.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.64 -4.87 51.13 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.457 0.703 . . . . 0.0 112.1 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.91 160.75 14.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.017 0.913 . . . . 0.0 112.344 169.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.59 126.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 126.38 1.872 . . . . 0.0 108.12 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -104.89 101.85 11.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.673 0.789 . . . . 0.0 110.371 -175.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 mt -107.63 139.39 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.816 1.646 . . . . 0.0 109.753 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.61 142.23 17.47 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 124.101 0.857 . . . . 0.0 111.441 169.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.51 138.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.224 1.41 . . . . 0.0 108.31 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -126.92 75.03 1.54 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.519 1.127 . . . . 0.0 109.242 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.85 44.47 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 125.151 1.38 . . . . 0.0 110.697 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.93 155.22 53.28 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.503 2.135 . . . . 0.0 110.525 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -68.58 -4.66 16.13 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.4 -23.11 63.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.934 0.894 . . . . 0.0 111.942 169.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -120.08 144.06 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.097 0.951 . . . . 0.0 111.849 174.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.76 143.08 38.28 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.406 1.082 . . . . 0.0 111.359 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.4 t -127.19 120.45 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.318 0.647 . . . . 0.0 109.549 170.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 98.8 m-70 -149.27 -175.97 5.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.79 0.836 . . . . 0.0 110.69 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.38 165.87 23.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.686 171.246 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -24.02 67.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -169.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 40.1 tt0 -64.01 -20.06 65.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.326 1.051 . . . . 0.0 112.377 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.86 -25.12 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.492 1.517 . . . . 0.0 110.847 -173.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HA ' HD12 ' A' ' 51' ' ' ILE . 63.6 t80 -60.2 -31.28 70.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 120.415 -1.428 . . . . 0.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.55 -9.87 59.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.732 0.813 . . . . 0.0 112.021 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.0 -26.47 21.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.138 0.975 . . . . 0.0 111.158 169.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.419 HD12 ' HA ' ' A' ' 48' ' ' TYR . 75.4 mt -69.65 -50.84 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.112 0.965 . . . . 0.0 109.191 173.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -84.09 5.18 27.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.0 74.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.9 0.48 . . . . 0.0 112.017 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.25 33.39 0.02 OUTLIER Glycine 0 CA--C 1.524 0.656 0 CA-C-O 120.016 -0.324 . . . . 0.0 112.999 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 51' ' ' ILE . 14.3 mt -116.99 -172.88 2.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.015 1.326 . . . . 0.0 108.239 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.3 p 56.56 20.58 5.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.301 1.44 . . . . 0.0 113.813 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.05 157.47 44.94 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 125.231 1.412 . . . . 0.0 111.061 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -74.31 174.21 12.9 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.092 2.528 . . . . 0.0 112.897 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 N--CA 1.454 -0.242 0 C-N-CA 124.807 1.243 . . . . 0.0 112.26 -176.567 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.678 -0.201 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -115.35 124.06 50.28 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.143 1.377 . . . . 0.0 107.298 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.407 HD11 " C4'" ' G' ' 52' ' ' ' A' . 57.8 mt -119.29 140.56 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -165.023 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt -136.91 141.57 42.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.202 1.401 . . . . 0.0 110.841 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 m -120.23 104.8 10.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -129.8 163.26 26.63 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.939 0.896 . . . . 0.0 110.633 -170.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -97.37 170.21 9.22 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -64.74 134.13 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.743 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.37 -2.79 68.39 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.352 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -85.91 161.81 18.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.917 1.359 . . . . 0.0 111.906 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -129.44 146.92 51.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.415 0.686 . . . . 0.0 111.878 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 11.1 mt -130.44 153.78 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.729 1.612 . . . . 0.0 109.074 -172.259 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -136.18 141.47 44.06 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.639 -0.663 . . . . 0.0 112.218 -169.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -134.6 131.11 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.88 0.872 . . . . 0.0 109.931 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.05 -136.95 50.82 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.74 4.92 7.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.931 0.893 . . . . 0.0 112.602 173.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -115.64 -16.88 11.24 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.18 134.97 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 119.315 0.961 . . . . 0.0 111.368 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -132.78 151.0 52.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.863 1.265 . . . . 0.0 109.961 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.93 147.6 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.289 1.836 . . . . 0.0 108.043 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -138.54 125.99 21.85 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.914 0.485 . . . . 0.0 110.057 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.44 103.21 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -73.06 -31.24 64.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.195 -0.315 . . . . 0.0 110.674 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 168.99 20.63 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.63 146.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.542 0.687 . . . . 0.0 110.165 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -125.31 70.36 1.17 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.156 1.382 . . . . 0.0 107.411 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.04 -123.69 6.19 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.241 -171.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.41 8.23 41.35 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.102 0.561 . . . . 0.0 110.961 172.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -98.96 154.05 18.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 109.263 170.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.6 113.36 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.71 119.12 26.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.741 1.217 . . . . 0.0 109.524 -179.08 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.61 133.32 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.79 0.836 . . . . 0.0 110.047 -169.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.75 137.32 13.61 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.0 mt -117.28 132.66 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.816 0.817 . . . . 0.0 109.192 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -132.26 77.24 1.74 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.602 -167.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 156.84 63.03 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.404 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.93 156.09 30.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.768 1.646 . . . . 0.0 110.554 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.36 -0.67 3.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.32 0.648 . . . . 0.0 112.175 169.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.536 1.535 . . . . 0.0 111.512 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -114.49 144.09 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.455 1.102 . . . . 0.0 110.532 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.37 142.97 28.92 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.433 0.635 . . . . 0.0 111.499 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.38 99.7 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.295 -166.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.91 163.22 36.82 Favored 'General case' 0 CA--C 1.524 -0.048 0 C-N-CA 123.163 0.585 . . . . 0.0 112.14 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.4 ptm180 -71.51 158.34 36.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.012 0.525 . . . . 0.0 111.397 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -51.04 -41.84 60.11 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.859 0.864 . . . . 0.0 112.277 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -47.99 -48.66 32.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.835 0.454 . . . . 0.0 110.956 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mm -76.69 -47.53 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 125.058 1.343 . . . . 0.0 110.01 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.21 -38.03 50.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.464 1.106 . . . . 0.0 111.874 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.12 -25.58 65.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -82.17 -39.11 23.66 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.053 0.842 . . . . 0.0 110.587 172.155 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 98.2 mt -62.6 -40.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -80.67 4.94 17.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 173.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.52 -9.98 59.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.45 0.7 . . . . 0.0 112.459 169.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.65 43.97 0.23 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.888 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.25 -175.53 2.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.689 0.744 . . . . 0.0 112.628 -167.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.1 p -130.84 177.77 7.17 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.221 1.408 . . . . 0.0 109.099 167.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.25 122.86 0.88 Allowed Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 124.678 1.191 . . . . 0.0 111.923 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.31 151.85 21.58 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.634 2.889 . . . . 0.0 113.376 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 CA--C 1.529 0.172 0 C-N-CA 124.284 1.033 . . . . 0.0 113.499 170.314 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.2 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.79 105.56 9.05 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 126.567 1.947 . . . . 0.0 106.119 164.757 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -82.68 137.63 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.431 1.092 . . . . 0.0 109.922 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -133.11 140.83 47.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.721 1.208 . . . . 0.0 110.186 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -103.07 128.4 49.97 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.835 0.454 . . . . 0.0 110.81 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.425 ' CG ' HD11 ' C' ' 12' ' ' ILE . 21.6 mmm180 -120.52 153.82 36.17 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.442 0.697 . . . . 0.0 110.39 174.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.528 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -90.39 162.04 15.3 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 167.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.8 139.45 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 O-C-N 120.909 -1.12 . . . . 0.0 111.754 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.5 89.39 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.753 1.168 . . . . 0.0 113.781 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -90.58 166.78 13.01 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.966 1.383 . . . . 0.0 112.006 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -128.63 162.89 26.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -169.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' C' ' 6' ' ' ARG . 12.1 mt -140.75 160.64 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 127.293 2.237 . . . . 0.0 108.221 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -131.04 147.36 52.62 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.718 1.207 . . . . 0.0 111.36 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.53 139.63 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.546 1.139 . . . . 0.0 108.999 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.37 -137.46 49.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.62 8.01 9.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.007 0.923 . . . . 0.0 111.58 170.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.97 -9.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.069 0.947 . . . . 0.0 112.952 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.28 138.07 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.366 0.666 . . . . 0.0 110.739 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -130.77 146.18 52.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.94 1.296 . . . . 0.0 109.372 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -127.07 143.98 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.249 1.419 . . . . 0.0 108.146 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -134.27 129.0 34.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.848 0.459 . . . . 0.0 109.92 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.456 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -84.83 112.25 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 169.118 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.73 -45.56 14.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.666 -0.647 . . . . 0.0 110.138 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.12 177.67 47.77 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.072 168.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -112.85 150.58 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.112 0.565 . . . . 0.0 110.846 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -146.22 108.64 4.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 169.399 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.93 -142.07 30.23 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.409 -169.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -84.55 0.41 50.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.25 1.02 . . . . 0.0 110.84 168.08 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.98 145.86 27.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.848 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.456 HG13 HD11 ' C' ' 22' ' ' ILE . 38.7 t -133.55 116.28 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -78.82 114.94 18.18 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mt -119.64 133.45 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.899 1.279 . . . . 0.0 109.08 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.3 142.12 15.42 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.543 1.068 . . . . 0.0 112.115 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -122.9 130.98 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.848 1.259 . . . . 0.0 108.641 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -126.37 97.69 5.15 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.434 0.694 . . . . 0.0 109.718 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.43 156.07 80.52 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.168 0.987 . . . . 0.0 110.324 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.86 151.91 83.09 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.76 2.306 . . . . 0.0 110.946 170.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.96 -0.89 3.44 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.219 0.608 . . . . 0.0 112.578 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.91 -22.08 66.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.352 1.061 . . . . 0.0 111.211 168.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -126.38 152.9 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.366 1.066 . . . . 0.0 110.714 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.63 155.43 19.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.831 0.453 . . . . 0.0 111.679 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.56 133.06 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.239 0.616 . . . . 0.0 109.798 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -154.23 167.59 29.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.538 0.735 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ARG . . . . . 0.485 ' HA ' HD13 ' D' ' 12' ' ' ILE . 83.8 mtm-85 -75.79 159.87 30.58 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 166.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.19 -32.85 71.48 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 118.299 0.499 . . . . 0.0 111.527 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -57.97 -47.68 82.23 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.973 0.909 . . . . 0.0 111.787 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.66 -30.99 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.36 0.664 . . . . 0.0 110.74 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -53.44 -36.91 62.07 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.293 1.037 . . . . 0.0 111.892 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.97 -25.87 67.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.573 0.749 . . . . 0.0 112.585 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -73.19 -39.4 65.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.347 0.659 . . . . 0.0 111.726 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp -67.42 -22.05 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 O-C-N 121.995 -0.441 . . . . 0.0 109.834 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -94.75 2.1 55.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.8 1.24 . . . . 0.0 113.086 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.42 4.07 1.5 Allowed 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -172.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.0 27.55 6.23 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.007 0.813 . . . . 0.0 112.517 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.97 -17.68 65.03 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.466 0.707 . . . . 0.0 112.307 -177.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 41.2 p -78.71 -15.58 58.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.3 1.04 . . . . 0.0 112.627 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.81 79.36 13.5 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.972 0.909 . . . . 0.0 110.707 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -65.01 174.99 4.16 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.318 2.679 . . . . 0.0 113.316 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.455 -0.197 0 C-N-CA 124.117 0.967 . . . . 0.0 112.718 178.854 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.542 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.2 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.9 109.49 15.17 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.722 1.609 . . . . 0.0 109.232 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.542 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -102.64 143.27 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 125.578 1.551 . . . . 0.0 110.358 -174.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 4' ' ' LEU . . . . . 0.414 HD22 HH11 ' C' ' 44' ' ' ARG . 94.1 mt -140.92 166.05 25.84 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 125.485 1.514 . . . . 0.0 111.419 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.83 112.34 23.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.78 0.832 . . . . 0.0 109.118 166.045 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.93 144.5 36.79 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.237 0.615 . . . . 0.0 111.12 169.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -86.06 161.4 18.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.227 0.611 . . . . 0.0 109.8 168.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.624 HG11 HG12 ' D' ' 25' ' ' VAL . 22.7 m -51.81 138.41 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 168.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.55 -0.05 86.62 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.191 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -99.25 171.7 7.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.581 1.19 . . . . 0.0 111.885 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -136.43 158.76 43.66 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' C' ' 44' ' ' ARG . 36.9 mm -141.07 155.28 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 128.075 2.55 . . . . 0.0 108.096 -172.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -133.33 150.16 51.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.312 -0.868 . . . . 0.0 112.319 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.95 139.79 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.769 1.228 . . . . 0.0 109.163 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.76 -135.62 51.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -128.77 10.04 5.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 112.6 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -131.94 -6.9 3.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -115.28 136.4 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.203 0.91 . . . . 0.0 111.02 -171.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 37.0 m -128.4 147.06 50.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.76 1.224 . . . . 0.0 109.846 175.215 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.04 140.66 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.376 1.471 . . . . 0.0 108.228 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 52.0 m -137.21 127.52 26.42 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.241 0.616 . . . . 0.0 109.514 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.07 107.41 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 mt -79.82 -30.38 40.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.842 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.72 -175.95 43.72 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 120.988 0.215 . . . . 0.0 113.203 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.624 HG12 HG11 ' D' ' 8' ' ' VAL . 8.9 p -132.21 132.77 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.619 1.167 . . . . 0.0 110.064 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -135.36 90.3 2.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.936 1.294 . . . . 0.0 108.988 -173.292 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.47 -119.74 9.56 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.587 -0.696 . . . . 0.0 111.559 -172.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.528 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.5 mp0 -93.2 -11.07 33.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.866 0.866 . . . . 0.0 110.575 174.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.466 ' NE2' ' C5 ' ' G' ' 3' ' ' ' U' . 49.7 mt-30 -77.52 149.29 34.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.442 0.639 . . . . 0.0 111.407 173.062 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.0 120.01 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 107.055 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.83 109.19 21.2 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.07 0.948 . . . . 0.0 108.823 -173.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.1 127.15 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.633 0.773 . . . . 0.0 109.938 -169.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.26 137.66 13.49 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 124.169 0.89 . . . . 0.0 110.988 173.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 34' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' C' ' 1' ' ' MET . 5.2 mp -122.57 141.99 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.792 0.837 . . . . 0.0 109.06 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.06 102.98 4.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.637 0.775 . . . . 0.0 109.283 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.7 156.81 72.81 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.582 1.153 . . . . 0.0 109.304 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.72 151.66 82.57 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.235 1.956 . . . . 0.0 110.828 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -70.27 -1.07 9.28 Favored 'General case' 0 CA--C 1.526 0.029 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -20.9 65.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.872 1.269 . . . . 0.0 111.518 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -126.41 160.06 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.391 1.076 . . . . 0.0 110.854 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.34 157.1 16.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -149.78 122.66 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.116 0.566 . . . . 0.0 109.89 167.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -149.41 162.61 39.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.628 0.771 . . . . 0.0 111.03 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -60.54 155.37 18.73 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 122.921 0.488 . . . . 0.0 109.72 169.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -64.28 -26.27 68.41 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.796 0.725 . . . . 0.0 111.879 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.03 -18.65 59.17 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -98.62 -33.54 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.879 1.272 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.55 -44.11 72.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.94 0.896 . . . . 0.0 110.391 172.063 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -65.82 -23.94 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 50' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 8.7 mtt85 -74.84 -42.18 58.46 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.699 0.681 . . . . 0.0 110.628 171.734 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.419 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 68.7 mt -68.58 -29.21 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -85.71 2.02 47.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.135 0.974 . . . . 0.0 110.894 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 53' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -86.91 1.99 50.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.089 1.356 . . . . 0.0 112.864 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.75 48.06 0.93 Allowed Glycine 0 CA--C 1.525 0.698 0 CA-C-N 118.467 0.576 . . . . 0.0 113.329 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.0 pp -161.61 174.72 12.94 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.425 1.09 . . . . 0.0 111.447 -173.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 36.3 m -107.23 -43.68 4.53 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.154 0.582 . . . . 0.0 111.188 168.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.699 ' H ' ' CD ' ' D' ' 58' ' ' PRO . . . -163.42 -26.59 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 126.144 1.778 . . . . 0.0 112.572 169.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 58' ' ' PRO . . . . . 0.699 ' CD ' ' H ' ' D' ' 57' ' ' ALA . 32.7 Cg_exo -72.91 -171.11 0.71 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.552 2.168 . . . . 0.0 112.309 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 N--CA 1.452 -0.339 0 C-N-CA 123.822 0.849 . . . . 0.0 112.61 178.305 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.93 136.0 51.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.364 1.865 . . . . 0.0 108.315 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 mm -113.8 137.95 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.25 1.02 . . . . 0.0 109.084 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 tp -154.37 140.88 18.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.126 0.57 . . . . 0.0 110.544 -168.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 138.15 51.07 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.599 0.76 . . . . 0.0 110.031 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -142.62 124.31 15.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.155 0.982 . . . . 0.0 109.633 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -90.26 165.1 14.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.891 1.223 . . . . 0.0 112.063 171.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -59.14 138.21 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.15 -169.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.06 -3.87 84.59 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 123.94 0.781 . . . . 0.0 114.391 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -94.28 176.61 6.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.624 1.212 . . . . 0.0 111.068 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.9 m -141.08 158.9 43.29 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -137.82 155.95 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 126.949 2.1 . . . . 0.0 108.583 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -133.25 151.18 51.91 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.331 -0.855 . . . . 0.0 112.828 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -137.16 143.75 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.666 1.186 . . . . 0.0 109.142 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -138.13 49.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.16 9.98 8.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.905 0.882 . . . . 0.0 111.821 172.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -141.0 -1.06 1.42 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.6 136.01 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.975 0.807 . . . . 0.0 110.904 -174.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -129.15 145.52 51.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.52 1.128 . . . . 0.0 110.17 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -126.19 138.08 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.721 1.608 . . . . 0.0 108.179 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.3 m -134.51 130.06 36.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.947 0.499 . . . . 0.0 110.072 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -82.91 106.69 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.21 -28.67 60.06 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.043 0.537 . . . . 0.0 110.92 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 -172.32 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.75 0.69 . . . . 0.0 113.399 169.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.33 157.25 27.04 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 123.625 0.77 . . . . 0.0 111.926 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -146.62 92.02 2.1 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.735 1.214 . . . . 0.0 109.451 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -116.17 5.09 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 121.56 -0.712 . . . . 0.0 111.566 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -86.35 -13.08 47.53 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.764 0.782 . . . . 0.0 110.811 169.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.1 154.3 29.48 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.624 0.726 . . . . 0.0 110.81 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -146.58 104.56 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 126.899 2.079 . . . . 0.0 105.389 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -86.22 123.44 31.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.38 137.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 C-N-CA 123.191 0.596 . . . . 0.0 111.207 -168.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.91 144.59 16.08 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.565 1.078 . . . . 0.0 111.841 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.73 131.14 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.359 1.464 . . . . 0.0 108.79 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -132.78 100.2 4.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -172.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.3 155.82 75.56 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.794 1.238 . . . . 0.0 110.267 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.18 158.13 31.85 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.59 2.193 . . . . 0.0 111.669 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -69.17 -0.98 6.72 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.435 0.694 . . . . 0.0 112.572 169.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.93 -23.35 67.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.194 1.397 . . . . 0.0 111.988 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.3 157.85 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 110.986 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.72 156.69 16.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.976 0.51 . . . . 0.0 111.876 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.09 125.76 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.151 0.581 . . . . 0.0 110.826 171.093 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -152.13 171.09 18.44 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.401 1.081 . . . . 0.0 110.925 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -68.15 159.64 30.63 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.743 -0.598 . . . . 0.0 109.473 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.51 -25.22 65.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.277 0.231 . . . . 0.0 111.435 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -66.04 -51.64 56.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.993 0.917 . . . . 0.0 111.469 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.68 -30.88 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 109.778 -175.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -56.18 -35.29 67.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.587 0.755 . . . . 0.0 112.531 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.18 -25.68 63.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.734 -0.604 . . . . 0.0 112.265 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.07 -24.02 60.62 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.094 0.557 . . . . 0.0 110.209 175.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.507 ' O ' HD21 ' E' ' 55' ' ' LEU . 83.5 mt -99.07 -27.88 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.321 1.448 . . . . 0.0 112.112 -173.549 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -85.02 3.04 40.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.84 -1.56 7.47 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 171.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 54' ' ' GLY . . . . . 0.603 ' N ' HD13 ' E' ' 55' ' ' LEU . . . 82.85 97.35 0.53 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.221 1.391 . . . . 0.0 115.567 -171.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.603 HD13 ' N ' ' E' ' 54' ' ' GLY . 0.0 OUTLIER -172.01 -1.94 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.28 1.032 . . . . 0.0 113.386 -169.206 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 56' ' ' THR . . . . . 0.508 ' N ' HD22 ' E' ' 55' ' ' LEU . 17.1 p -64.78 -11.47 37.01 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.235 1.014 . . . . 0.0 113.467 -163.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.56 83.64 13.93 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.715 1.206 . . . . 0.0 107.889 166.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.83 -41.09 77.44 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.658 2.906 . . . . 0.0 113.336 -171.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.452 -0.327 0 C-N-CA 123.69 0.796 . . . . 0.0 111.706 -168.53 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.484 0.183 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -97.29 148.89 22.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.073 0.549 . . . . 0.0 111.337 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.07 136.46 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.948 0.899 . . . . 0.0 108.905 171.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt -132.91 159.57 39.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.714 1.206 . . . . 0.0 109.846 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -128.59 98.03 4.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.299 169.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.566 ' HD3' HD11 ' F' ' 12' ' ' ILE . 3.0 ttp180 -105.01 162.18 13.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.079 1.752 . . . . 0.0 110.968 -177.577 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -122.92 173.41 7.81 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -53.17 134.79 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.883 -172.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.58 73.73 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.287 0.946 . . . . 0.0 114.889 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.39 172.62 9.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.458 1.629 . . . . 0.0 112.864 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.98 155.02 48.34 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.495 -0.753 . . . . 0.0 112.82 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.566 HD11 ' HD3' ' F' ' 6' ' ' ARG . 48.5 mm -128.11 157.26 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.857 2.063 . . . . 0.0 108.236 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -128.45 150.4 50.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.37 0.668 . . . . 0.0 112.125 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 mt -134.6 143.8 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.66 1.184 . . . . 0.0 108.963 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.26 -134.93 51.92 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -125.56 10.03 7.82 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.049 0.939 . . . . 0.0 111.61 174.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -141.58 -11.94 0.9 Allowed 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.98 136.69 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 119.133 0.879 . . . . 0.0 110.502 -173.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -129.33 144.07 51.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.374 1.069 . . . . 0.0 110.39 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -124.9 142.25 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.497 1.519 . . . . 0.0 108.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 58.7 m -139.48 141.14 37.38 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.642 0.777 . . . . 0.0 110.373 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -99.1 108.91 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.46 -32.75 48.55 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.897 0.479 . . . . 0.0 110.399 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.19 -177.7 35.64 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.173 0.416 . . . . 0.0 113.104 169.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.81 153.93 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.303 0.641 . . . . 0.0 111.782 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -141.57 89.94 2.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.919 1.288 . . . . 0.0 109.247 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.63 -103.98 1.29 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.947 -0.471 . . . . 0.0 111.938 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -98.9 -21.98 16.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.518 0.659 . . . . 0.0 112.037 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.8 147.24 47.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.54 0.686 . . . . 0.0 110.222 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -135.91 114.59 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -89.39 123.67 33.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -128.5 141.75 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.677 1.191 . . . . 0.0 109.877 -167.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.69 138.54 14.77 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 170.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -127.0 138.53 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.017 0.927 . . . . 0.0 109.541 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -136.3 102.19 4.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.669 0.788 . . . . 0.0 109.759 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.48 158.36 70.01 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.276 1.031 . . . . 0.0 111.458 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.87 162.68 31.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.934 2.422 . . . . 0.0 112.389 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.37 -4.66 27.42 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.557 0.743 . . . . 0.0 112.694 172.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.48 -17.55 62.97 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.754 1.222 . . . . 0.0 112.482 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -129.69 167.91 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.018 0.927 . . . . 0.0 111.257 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.2 163.74 12.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.811 0.844 . . . . 0.0 111.396 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.1 125.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.395 173.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -152.89 177.54 10.64 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.906 0.882 . . . . 0.0 110.596 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -76.99 166.32 23.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.814 -0.554 . . . . 0.0 109.808 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -59.56 -29.3 67.83 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -61.18 -54.03 49.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.347 0.659 . . . . 0.0 110.835 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.93 -31.12 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 122.947 0.499 . . . . 0.0 110.405 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -50.33 -35.24 26.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.198 0.999 . . . . 0.0 113.034 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -60.24 -21.97 62.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.978 0.911 . . . . 0.0 112.395 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -75.64 -45.77 35.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.505 0.722 . . . . 0.0 109.502 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.518 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.0 mp -66.62 -22.95 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.674 1.189 . . . . 0.0 110.228 -178.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -85.32 -37.78 19.56 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 168.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.28 -27.25 11.64 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 -167.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.59 -19.57 0.65 Allowed Glycine 0 CA--C 1.526 0.757 0 CA-C-N 118.989 0.813 . . . . 0.0 113.344 -169.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.3 -177.15 0.12 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.638 2.375 . . . . 0.0 113.077 169.774 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -94.98 -22.66 17.8 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -173.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 57' ' ' ALA . . . . . 0.653 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -160.93 -31.28 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.586 1.554 . . . . 0.0 112.579 -178.671 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 58' ' ' PRO . . . . . 0.653 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 34.2 Cg_exo -72.6 179.21 5.39 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 121.754 1.636 . . . . 0.0 114.229 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 124.607 1.163 . . . . 0.0 112.122 -169.538 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.916 3.716 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 O4'-C1'-N19 111.414 3.214 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . 0.466 ' C5 ' ' NE2' ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 O4'-C1'-N19 112.93 4.73 . 0.523 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.774 4.574 . 0.069 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.468 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 111.441 3.241 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.468 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 C5'-C4'-C3' 108.05 -4.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 O4'-C1'-N19 112.166 3.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C3'-C2'-C1' 104.027 2.808 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O5'-C5'-C4' 113.654 2.467 . 0.012 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 0 C3'-C2'-C1' 104.874 3.749 . 0.198 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 112.217 4.017 . 0.01 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 O4'-C4'-C3' 108.725 2.303 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 110.61 -3.26 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C4'-C3'-C2' 100.5 -2.2 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 O4'-C1'-N19 111.697 3.497 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 N19-C1'-C2' 107.942 -3.411 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 111.246 3.046 . 0.91 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.346 -2.354 . 0.653 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 110.914 2.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.855 3.655 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 1 O4'-C1'-N19 112.488 4.288 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 O4'-C1'-N19 110.938 2.738 . 0.07 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 1 O4'-C1'-N19 113.153 4.953 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 112.19 3.99 . 0.616 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 C5'-C4'-C3' 111.014 -2.991 . 0.647 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 O5'-C5'-C4' 113.71 2.507 . 0.11 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.324 0 C5'-C4'-C3' 111.676 -2.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 0 C5'-C4'-C3' 112.145 -2.237 . 0.045 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C5'-C4'-C3' 111.234 -2.844 OUTLIER-DELTA 0.016 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.54 3.34 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.013 -2.687 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 O4'-C1'-N19 111.232 3.032 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 112.125 3.925 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 99.261 -3.439 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C4'-C3'-C2' 99.447 -3.253 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.465 3.265 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C4'-C3'-C2' 100.562 -2.138 . 0.038 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.333 3.133 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 C3'-C2'-C1' 104.202 3.002 . 0.215 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 113.43 5.23 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.351 1 C5'-C4'-C3' 109.233 -4.178 . 0.056 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 2 O4'-C1'-N19 114.258 6.058 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 1 O4'-C1'-N19 114.785 6.585 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.708 4.508 . 0.176 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 1 O4'-C1'-N19 112.45 4.25 . 0.483 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C4'-C3'-C2' 99.77 -2.93 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 112.191 3.991 . 0.42 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.098 2.898 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . 0.403 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C4'-C3'-C2' 99.336 -3.364 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.254 3.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . 0.404 " C2'" H5'' ' G' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 C5'-C4'-C3' 111.459 -2.694 . 0.443 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.407 " C4'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.233 2 O5'-C5'-C4' 119.631 6.737 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 100.372 -2.328 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 1 O4'-C1'-N19 112.498 4.298 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 100.183 -2.517 . 0.477 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.041 2.841 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 0 C3'-C2'-C1' 104.987 3.875 . 0.544 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 111.757 3.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 O4'-C1'-N19 112.223 4.023 . 0.145 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 O4'-C1'-N19 111.868 3.668 . 0.129 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 O4'-C1'-N19 111.896 3.696 . 0.347 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 O4'-C1'-N19 111.628 3.428 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C5'-C4'-C3' 110.136 -3.576 . 0.582 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 99.502 -3.198 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 110.911 2.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 0 C5'-C4'-C3' 110.761 -3.159 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.324 2 C5'-C4'-C3' 105.737 -6.508 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.416 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.341 1 P-O3'-C3' 125.819 5.099 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 110.771 2.571 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 1 O4'-C1'-N19 112.536 4.336 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C4'-C3'-C2' 99.732 -2.968 . 0.268 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.131 2.931 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tmm? . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 113.98 27.84 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.707 0.685 . . . . 0.0 109.79 -174.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.45 140.07 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.224 1.01 . . . . 0.0 110.522 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.0 mt -133.48 160.75 36.48 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.333 1.053 . . . . 0.0 109.862 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -127.99 100.86 6.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -127.06 142.76 51.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.824 -0.548 . . . . 0.0 110.788 -169.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -96.48 162.48 13.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.584 1.154 . . . . 0.0 110.25 -168.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG11 HG13 ' A' ' 25' ' ' VAL . 31.9 m -62.32 129.3 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 119.85 -0.74 . . . . 0.0 112.086 -169.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.9 57.02 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.412 1.005 . . . . 0.0 114.174 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -90.25 164.15 14.5 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.847 1.323 . . . . 0.0 111.942 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -133.71 147.71 51.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -169.322 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.8 mm -114.19 154.69 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 125.442 1.497 . . . . 0.0 109.956 174.396 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -127.39 136.66 52.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.1 0.96 . . . . 0.0 110.643 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mt -131.85 130.55 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.511 1.125 . . . . 0.0 109.427 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.43 -129.5 25.56 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -130.0 3.56 4.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.861 0.864 . . . . 0.0 112.431 172.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -135.15 -13.35 2.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -169.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.42 138.97 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.935 0.789 . . . . 0.0 110.416 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -136.31 146.82 47.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.655 0.782 . . . . 0.0 109.049 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -125.54 141.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.626 1.171 . . . . 0.0 107.954 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -136.12 125.98 25.76 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.439 HD12 HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -86.0 105.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.011 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -33.62 64.85 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -169.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -170.97 38.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 165.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG13 HG11 ' A' ' 8' ' ' VAL . 21.5 m -91.23 160.37 2.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 C-N-CA 124.4 1.08 . . . . 0.0 111.973 -172.329 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -151.08 60.95 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.007 0.923 . . . . 0.0 110.623 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.64 -132.98 12.45 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -86.42 19.91 2.62 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.839 0.855 . . . . 0.0 111.901 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -129.15 153.0 48.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.006 1.322 . . . . 0.0 110.928 171.087 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.83 134.6 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.866 1.666 . . . . 0.0 109.9 -167.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -98.45 101.92 13.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.727 0.811 . . . . 0.0 110.027 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -107.07 134.33 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.279 1.431 . . . . 0.0 109.281 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.0 139.74 15.69 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.039 0.828 . . . . 0.0 111.749 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.47 138.83 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.17 1.388 . . . . 0.0 108.747 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -126.31 74.96 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.758 1.223 . . . . 0.0 109.65 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.72 153.52 45.92 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.991 175.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -75.51 155.84 40.66 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.816 2.344 . . . . 0.0 110.633 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.41 -4.08 13.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -68.72 -25.57 64.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.961 0.905 . . . . 0.0 112.003 169.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -117.15 144.07 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.805 0.812 . . . . 0.0 111.653 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.33 143.09 32.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.75 0.82 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.54 127.99 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.708 0.403 . . . . 0.0 110.205 171.418 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.512 ' CD2' HD11 ' A' ' 51' ' ' ILE . 94.3 m-70 -151.66 -175.99 5.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 110.011 -171.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.44 168.07 15.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 170.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.32 -41.87 66.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.879 1.272 . . . . 0.0 112.338 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.89 -25.05 56.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.368 1.467 . . . . 0.0 112.989 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.32 -23.32 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.064 1.345 . . . . 0.0 111.086 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -62.57 -32.43 73.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.394 0.678 . . . . 0.0 110.378 -175.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -75.43 -10.59 59.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.19 0.596 . . . . 0.0 112.134 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.76 -34.21 30.55 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.205 1.002 . . . . 0.0 110.475 169.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.512 HD11 ' CD2' ' A' ' 43' ' ' HIS . 21.4 mt -63.1 -53.96 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.933 0.893 . . . . 0.0 108.633 172.673 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -84.16 5.14 27.4 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.9 0.88 . . . . 0.0 112.461 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.73 -31.3 68.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.721 0.408 . . . . 0.0 111.02 168.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.51 17.55 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 CA-C-O 118.994 -0.892 . . . . 0.0 113.481 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 56' ' ' THR . 14.8 mt -94.24 90.69 6.42 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.933 1.367 . . . . 0.0 108.109 -177.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.1 p 162.68 174.53 0.02 OUTLIER 'General case' 0 C--O 1.23 0.073 0 C-N-CA 127.486 2.314 . . . . 0.0 108.347 -169.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.94 153.79 48.27 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 123.645 0.778 . . . . 0.0 109.765 167.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -72.31 120.47 6.79 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.187 1.925 . . . . 0.0 109.69 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 N--CA 1.451 -0.424 0 C-N-CA 124.188 0.995 . . . . 0.0 111.783 174.185 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.428 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 32.7 tpp . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.81 -0.138 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.26 121.57 43.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.462 HD11 " H5'" ' G' ' 52' ' ' ' A' . 51.3 mt -118.19 139.83 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.053 0.541 . . . . 0.0 112.077 -165.191 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -135.63 143.3 45.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.278 1.431 . . . . 0.0 110.716 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -120.13 102.44 8.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -130.77 151.89 50.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 123.92 0.888 . . . . 0.0 112.065 -168.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -77.3 160.07 29.11 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.646 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.13 137.09 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.04 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.09 -5.65 68.6 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.058 -0.856 . . . . 0.0 114.601 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -86.2 160.66 19.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 119.034 1.417 . . . . 0.0 112.211 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.8 m -124.87 146.43 49.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.222 1.009 . . . . 0.0 111.326 -173.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 7.4 mt -135.75 151.79 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.127 1.371 . . . . 0.0 109.157 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -135.96 143.55 44.94 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -134.91 129.73 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.414 1.085 . . . . 0.0 109.747 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.02 -136.31 51.0 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -175.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -121.35 -0.26 9.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.714 0.806 . . . . 0.0 112.348 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.78 -18.41 10.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.584 0.754 . . . . 0.0 112.973 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 133.12 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.816 0.735 . . . . 0.0 110.77 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.7 m -128.87 148.09 50.87 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.249 1.02 . . . . 0.0 109.792 169.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -126.42 146.22 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 126.027 1.731 . . . . 0.0 107.818 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -136.74 129.32 30.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.77 99.69 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 170.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -68.7 -33.08 73.33 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.048 -0.408 . . . . 0.0 110.626 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.36 -176.67 37.01 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 172.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.06 145.04 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 110.192 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -116.63 73.49 0.86 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 170.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.52 -117.92 4.9 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.649 -172.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 9.58 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.111 -0.64 . . . . 0.0 111.182 174.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.9 155.63 17.3 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.294 1.038 . . . . 0.0 109.608 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 t -134.03 117.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.57 115.7 22.75 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.868 1.267 . . . . 0.0 109.388 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.95 129.85 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.212 1.005 . . . . 0.0 109.692 -171.187 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.04 140.9 15.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -124.99 130.59 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 121.957 0.884 . . . . 0.0 109.207 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.94 74.95 1.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.264 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.57 157.53 51.59 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.255 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -60.2 154.89 48.89 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.46 1.44 . . . . 0.0 110.186 168.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.425 ' HE2' " O2'" ' G' ' 28' ' ' ' G' . 12.4 mttt -69.3 -0.7 6.59 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.795 1.238 . . . . 0.0 113.01 170.621 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.83 -24.84 66.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.702 1.601 . . . . 0.0 111.131 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -112.29 144.15 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.584 1.154 . . . . 0.0 110.145 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.39 143.01 28.88 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.498 0.666 . . . . 0.0 111.381 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 t -142.81 98.69 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.198 -166.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.418 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -143.89 162.29 36.5 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.83 0.852 . . . . 0.0 111.161 176.459 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.4 ptt-85 -68.34 155.84 38.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.046 0.539 . . . . 0.0 111.267 169.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.71 -41.55 73.98 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 123.292 0.637 . . . . 0.0 112.642 -171.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.19 -24.07 66.05 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.65 -50.18 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.023 0.929 . . . . 0.0 110.732 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -51.1 -35.66 36.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.448 1.099 . . . . 0.0 111.909 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.97 -21.25 62.34 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -79.67 -39.79 30.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 119.509 1.05 . . . . 0.0 110.23 169.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.412 ' HA ' HD12 ' B' ' 55' ' ' LEU . 92.0 mt -64.14 -40.54 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -80.35 4.98 16.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 173.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.91 -19.52 44.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.046 0.539 . . . . 0.0 111.566 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.91 46.68 0.08 OUTLIER Glycine 0 C--N 1.338 0.668 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.37 169.025 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.04 -176.07 2.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.944 0.872 . . . . 0.0 112.812 -168.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 32.1 p -126.33 -179.58 4.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.429 1.492 . . . . 0.0 109.462 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.79 120.01 1.7 Allowed Pre-proline 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.399 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -66.71 172.04 10.02 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.963 1.775 . . . . 0.0 114.674 -169.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-N 114.327 -1.306 . . . . 0.0 112.417 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.094 -0.479 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.69 107.82 17.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 168.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -80.74 133.25 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.511 0.724 . . . . 0.0 109.526 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.46 135.02 48.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.013 0.925 . . . . 0.0 109.143 168.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -91.5 153.07 20.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.471 ' HD3' HG13 ' C' ' 12' ' ' ILE . 15.1 ttp180 -146.03 143.63 29.55 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.5 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 5.0 tptm -99.81 148.41 24.45 Favored 'General case' 0 C--N 1.334 -0.071 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.19 133.09 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.921 0.782 . . . . 0.0 112.149 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 -10.21 65.91 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 125.313 1.435 . . . . 0.0 114.68 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -90.08 -179.63 5.72 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.595 1.698 . . . . 0.0 112.589 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.39 160.84 39.81 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -167.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.471 HG13 ' HD3' ' C' ' 6' ' ' ARG . 78.3 mt -134.92 157.11 40.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 C-N-CA 127.051 2.14 . . . . 0.0 109.148 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -123.42 146.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.583 1.153 . . . . 0.0 111.759 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -132.61 137.85 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.505 1.122 . . . . 0.0 108.864 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -136.15 50.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -123.66 8.6 8.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.157 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -128.76 -9.11 5.0 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.116 0.966 . . . . 0.0 113.381 -169.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.05 136.62 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.596 0.635 . . . . 0.0 110.512 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -128.96 141.48 51.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.536 1.134 . . . . 0.0 109.596 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -125.24 140.85 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.929 1.292 . . . . 0.0 108.344 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -131.77 135.31 46.69 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.64 0.655 . . . . 0.0 111.016 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.415 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.0 tp -84.7 104.38 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.03 -37.75 46.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.64 -172.45 41.84 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 167.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.35 162.08 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.211 0.529 . . . . 0.0 111.268 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.2 71.06 1.34 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.998 1.319 . . . . 0.0 108.729 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -109.0 2.66 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -168.56 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -96.33 -8.39 32.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.182 0.993 . . . . 0.0 112.176 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -75.88 158.58 31.91 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.83 0.824 . . . . 0.0 112.199 172.045 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -137.83 108.9 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 126.198 1.799 . . . . 0.0 106.59 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -77.48 113.06 14.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.61 128.89 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.674 1.19 . . . . 0.0 109.841 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.71 139.19 15.27 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 125.031 1.301 . . . . 0.0 110.893 169.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.5 mt -128.82 131.28 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -132.47 95.38 3.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.94 154.55 68.57 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.846 0.858 . . . . 0.0 110.425 -176.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.38 154.36 68.77 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.95 2.433 . . . . 0.0 111.352 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.63 -1.01 3.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.321 0.649 . . . . 0.0 112.604 171.366 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.89 -22.84 66.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.217 1.007 . . . . 0.0 111.346 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.84 148.81 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.137 0.975 . . . . 0.0 110.653 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 154.55 21.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.716 0.406 . . . . 0.0 111.188 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.63 129.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.169 0.588 . . . . 0.0 109.553 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -155.04 156.0 35.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 118.299 0.499 . . . . 0.0 112.006 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -75.76 161.64 28.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 166.515 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -33.14 71.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.15 -45.12 87.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.626 0.77 . . . . 0.0 111.632 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -88.54 -30.62 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.306 0.642 . . . . 0.0 110.64 -172.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.0 -38.14 55.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.722 0.809 . . . . 0.0 112.252 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.95 -30.82 68.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.764 0.826 . . . . 0.0 112.511 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -70.15 -35.66 74.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.301 0.64 . . . . 0.0 111.73 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.29 -19.9 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 O-C-N 121.844 -0.535 . . . . 0.0 110.046 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -93.19 2.07 56.82 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.808 0.843 . . . . 0.0 112.632 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.64 -2.63 50.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.724 0.81 . . . . 0.0 113.029 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.0 104.87 2.4 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 124.303 0.954 . . . . 0.0 111.393 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 72.7 mt -132.54 -179.83 5.69 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.557 1.143 . . . . 0.0 110.879 -175.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m 67.92 134.27 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 126.429 1.892 . . . . 0.0 112.048 -172.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 47.28 73.48 0.99 Allowed Pre-proline 0 N--CA 1.454 -0.243 0 C-N-CA 125.039 1.335 . . . . 0.0 112.422 -169.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.49 172.42 4.44 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.344 2.696 . . . . 0.0 113.498 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 123.982 0.913 . . . . 0.0 112.916 179.567 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mmm . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.856 -0.053 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -125.37 111.4 15.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.705 1.202 . . . . 0.0 108.346 168.209 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.71 139.0 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.786 1.234 . . . . 0.0 109.62 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.76 159.88 38.73 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.635 . . . . 0.0 112.034 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -94.61 138.48 32.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.138 0.575 . . . . 0.0 111.358 173.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.94 145.04 51.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.467 1.107 . . . . 0.0 108.688 167.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -94.77 163.44 13.35 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 118.25 0.477 . . . . 0.0 111.343 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.512 HG11 HG12 ' D' ' 25' ' ' VAL . 31.4 m -49.22 138.76 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 177.077 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.43 -1.79 84.43 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.097 0.856 . . . . 0.0 114.002 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -99.93 172.42 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.536 1.168 . . . . 0.0 112.472 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -132.0 158.34 41.76 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -169.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -143.9 164.45 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 126.909 2.084 . . . . 0.0 108.51 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -143.59 146.01 32.96 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.105 0.962 . . . . 0.0 111.78 -171.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.11 136.9 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.865 1.266 . . . . 0.0 109.158 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.2 -136.37 51.01 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -123.46 7.04 8.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.981 0.912 . . . . 0.0 111.821 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -131.15 -10.96 3.72 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.08 136.1 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.836 0.744 . . . . 0.0 110.503 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -131.14 143.8 50.91 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.422 1.089 . . . . 0.0 109.842 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -123.45 143.09 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.816 1.246 . . . . 0.0 108.354 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -133.07 129.13 37.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.536 0.735 . . . . 0.0 109.19 176.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.77 102.99 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.0 -33.07 61.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.231 0.613 . . . . 0.0 110.549 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.62 179.31 43.32 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-O 121.115 0.286 . . . . 0.0 113.171 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.512 HG12 HG11 ' D' ' 8' ' ' VAL . 7.2 p -121.95 133.1 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.639 1.176 . . . . 0.0 109.597 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -132.63 72.64 1.5 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.711 1.204 . . . . 0.0 109.523 -169.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -117.96 4.55 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.5 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -93.14 -8.72 41.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.415 0.686 . . . . 0.0 110.563 171.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -74.04 151.73 40.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.785 0.803 . . . . 0.0 111.445 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -132.88 117.32 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -92.55 111.28 22.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.096 0.958 . . . . 0.0 108.703 -175.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -119.54 123.48 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.52 0.728 . . . . 0.0 110.411 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.98 132.62 11.31 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 170.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -120.48 140.03 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -138.09 100.84 4.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -174.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.71 154.41 81.46 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.236 1.014 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.34 149.97 82.98 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.011 1.807 . . . . 0.0 110.67 170.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -67.8 -2.87 7.92 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.202 0.601 . . . . 0.0 112.346 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 -21.59 66.43 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.855 1.262 . . . . 0.0 111.649 169.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.18 156.95 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.135 0.974 . . . . 0.0 110.622 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.34 156.96 16.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.923 0.489 . . . . 0.0 111.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.48 126.87 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 O-C-N 122.042 -0.411 . . . . 0.0 109.921 168.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -148.77 159.21 44.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 111.194 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -64.64 152.6 41.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.707 0.403 . . . . 0.0 110.046 169.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.37 -36.04 75.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.959 0.799 . . . . 0.0 112.316 -171.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.48 -28.67 67.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.95 -39.94 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.756 0.822 . . . . 0.0 110.456 174.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.81 -38.75 61.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.7 1.2 . . . . 0.0 111.817 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.12 -23.29 66.46 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.974 0.909 . . . . 0.0 113.018 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.75 -39.48 70.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.688 0.676 . . . . 0.0 110.63 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.759 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.4 mp -73.01 -18.86 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.917 1.687 . . . . 0.0 109.658 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -91.22 -3.71 56.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.49 -0.757 . . . . 0.0 112.899 171.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.96 -47.32 3.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.158 0.983 . . . . 0.0 112.805 -173.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 54' ' ' GLY . . . . . 0.422 ' C ' HD13 ' D' ' 55' ' ' LEU . . . -174.21 -3.31 0.03 OUTLIER Glycine 0 CA--C 1.525 0.679 0 CA-C-O 118.946 -0.919 . . . . 0.0 114.663 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.422 HD13 ' C ' ' D' ' 54' ' ' GLY . 0.0 OUTLIER 68.89 163.31 0.23 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.276 1.83 . . . . 0.0 112.411 167.322 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 56' ' ' THR . . . . . 0.432 ' HB ' ' N4 ' ' G' ' 7' ' ' ' C' 0.254 0.5 OUTLIER -145.58 -19.22 0.47 Allowed 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 164.776 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.06 131.75 21.46 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 122.812 0.445 . . . . 0.0 110.647 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -66.54 177.58 3.24 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.925 2.417 . . . . 0.0 113.69 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 N--CA 1.455 -0.199 0 C-N-CA 124.398 1.079 . . . . 0.0 112.37 174.521 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.05 147.62 32.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.777 0.431 . . . . 0.0 111.368 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.84 117.58 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 170.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.98 160.44 18.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.009 1.323 . . . . 0.0 110.301 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.79 114.44 14.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 168.219 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.04 147.91 44.23 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.253 1.021 . . . . 0.0 110.025 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -94.46 168.8 10.64 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.941 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.89 139.84 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.003 0.43 . . . . 0.0 111.867 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -2.52 86.28 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 123.906 0.765 . . . . 0.0 113.979 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -91.75 174.61 7.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.651 1.225 . . . . 0.0 111.81 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 40.5 m -136.05 157.6 46.45 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -174.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mm -137.41 149.65 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 127.542 2.337 . . . . 0.0 107.753 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -130.35 152.99 49.16 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 119.62 1.1 . . . . 0.0 113.493 -174.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.89 139.21 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 125.12 1.368 . . . . 0.0 109.559 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.43 -141.02 47.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.6 6.93 11.67 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.961 0.904 . . . . 0.0 111.641 172.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -138.04 -6.98 1.61 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.53 132.36 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.779 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.1 m -126.47 141.06 52.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.039 0.936 . . . . 0.0 110.251 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -118.74 137.42 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.325 1.45 . . . . 0.0 108.404 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -132.18 127.95 36.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.235 0.614 . . . . 0.0 109.884 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.62 106.4 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.07 -31.71 61.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.063 -0.398 . . . . 0.0 110.395 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.18 -174.51 36.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -115.46 156.73 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.89 0.876 . . . . 0.0 112.013 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.53 90.0 1.97 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.194 1.398 . . . . 0.0 109.167 170.207 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -114.7 6.64 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 121.429 -0.794 . . . . 0.0 111.29 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -91.13 -20.49 21.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.931 0.865 . . . . 0.0 111.596 172.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -71.0 149.54 46.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.256 0.55 . . . . 0.0 110.664 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.82 117.22 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -173.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -80.7 116.43 20.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.587 0.755 . . . . 0.0 109.383 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -123.87 131.0 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.495 0.718 . . . . 0.0 110.134 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.37 142.66 15.81 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.45 1.024 . . . . 0.0 111.565 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.2 mt -133.44 125.66 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.827 1.251 . . . . 0.0 108.961 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.71 99.01 5.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 154.79 78.5 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.65 1.18 . . . . 0.0 110.695 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.49 158.3 41.78 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.985 2.457 . . . . 0.0 112.061 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -72.49 -1.05 14.37 Favored 'General case' 0 N--CA 1.457 -0.075 0 C-N-CA 123.393 0.677 . . . . 0.0 112.672 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.88 -22.48 65.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.654 1.182 . . . . 0.0 111.808 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.77 159.27 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.159 0.984 . . . . 0.0 110.655 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.75 158.51 15.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 128.63 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.081 0.553 . . . . 0.0 110.237 169.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -149.22 167.37 26.2 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.913 0.885 . . . . 0.0 110.533 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 -76.63 162.27 27.88 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 121.666 -0.646 . . . . 0.0 110.117 169.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.13 -28.61 68.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.64 -53.5 57.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.771 0.828 . . . . 0.0 111.508 170.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -78.04 -32.92 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.643 0.777 . . . . 0.0 109.734 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -52.44 -35.15 51.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.195 0.998 . . . . 0.0 112.567 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.5 -21.89 66.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.403 0.681 . . . . 0.0 112.593 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -71.52 -22.97 61.71 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.584 0.629 . . . . 0.0 110.746 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.471 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -94.77 -22.99 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.968 1.307 . . . . 0.0 109.774 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -85.25 -51.12 6.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 171.164 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.46 -25.62 13.55 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -165.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -123.49 -32.06 0.92 Allowed Glycine 0 CA--C 1.525 0.671 0 CA-C-N 118.831 0.741 . . . . 0.0 112.213 -170.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.5 159.51 0.1 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 129.155 2.982 . . . . 0.0 113.323 175.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 39.6 p -92.6 -26.98 17.62 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.251 -175.169 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.9 90.6 5.39 Favored Pre-proline 0 N--CA 1.453 -0.28 0 C-N-CA 124.172 0.989 . . . . 0.0 109.785 170.003 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -66.22 174.04 6.58 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.701 2.267 . . . . 0.0 114.655 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.967 172.837 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.192 0.044 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -97.49 148.42 23.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 111.455 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.79 136.94 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.972 0.909 . . . . 0.0 109.075 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -134.01 160.64 37.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.744 1.218 . . . . 0.0 110.102 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.38 99.25 6.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 168.246 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.542 ' CD ' HD11 ' F' ' 12' ' ' ILE . 4.3 mmp_? -108.64 144.01 36.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.346 1.059 . . . . 0.0 111.127 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -102.61 168.28 9.38 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 m -56.36 135.04 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.286 -171.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.82 -8.49 70.77 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.321 0.962 . . . . 0.0 114.266 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -91.26 167.73 12.1 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.859 1.33 . . . . 0.0 112.319 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 63.4 m -133.21 152.65 51.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.423 0.689 . . . . 0.0 112.8 -170.024 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.542 HD11 ' CD ' ' F' ' 6' ' ' ARG . 43.4 mm -133.98 153.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 126.697 1.999 . . . . 0.0 108.481 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -130.6 148.7 52.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.553 -0.717 . . . . 0.0 112.288 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -135.82 144.06 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.564 1.146 . . . . 0.0 108.98 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -131.32 51.87 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -128.9 10.0 5.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.275 1.03 . . . . 0.0 111.374 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.36 -18.37 0.89 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.99 137.91 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 118.869 0.759 . . . . 0.0 110.413 -172.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -131.7 139.17 48.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.53 1.132 . . . . 0.0 110.183 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -121.67 144.57 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.015 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -140.07 126.75 20.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.994 0.518 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -77.18 118.04 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -88.64 -29.5 19.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.062 0.545 . . . . 0.0 111.026 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.02 -175.31 35.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 113.903 0.321 . . . . 0.0 113.903 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.67 153.69 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 123.448 0.699 . . . . 0.0 112.137 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -142.21 89.95 2.21 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.182 1.393 . . . . 0.0 109.171 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 -102.9 1.28 Allowed Glycine 0 CA--C 1.525 0.707 0 O-C-N 121.795 -0.565 . . . . 0.0 111.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.9 mm100 -99.52 -18.48 17.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 117.565 0.683 . . . . 0.0 112.087 171.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -74.93 146.1 42.08 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.349 0.595 . . . . 0.0 110.397 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -139.48 112.4 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -89.55 125.42 35.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.566 0.747 . . . . 0.0 109.263 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -132.36 129.9 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.94 0.896 . . . . 0.0 110.411 -168.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.59 142.07 15.92 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.155 0.883 . . . . 0.0 111.062 171.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.0 mt -136.58 125.66 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.894 0.877 . . . . 0.0 109.256 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -134.09 107.86 7.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.37 0.668 . . . . 0.0 109.721 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.32 78.05 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 123.705 0.802 . . . . 0.0 111.312 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.87 160.62 40.15 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.801 2.334 . . . . 0.0 112.227 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -64.53 -11.52 35.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.57 -15.91 62.29 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.77 1.228 . . . . 0.0 112.507 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.54 166.26 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.885 0.874 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.07 157.3 17.85 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.076 0.55 . . . . 0.0 111.564 170.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.1 117.25 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.214 0.605 . . . . 0.0 110.428 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -153.49 174.56 14.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.633 0.773 . . . . 0.0 111.189 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -80.11 163.32 24.22 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.804 -0.56 . . . . 0.0 110.204 168.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -60.76 -21.33 62.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.82 -49.58 72.31 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.672 0.789 . . . . 0.0 110.688 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -77.97 -31.4 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.318 0.647 . . . . 0.0 110.004 -173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -56.11 -34.96 66.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.823 0.849 . . . . 0.0 112.494 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -71.58 -22.66 61.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.18 0.592 . . . . 0.0 112.55 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -75.04 -22.97 58.08 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.344 0.658 . . . . 0.0 111.103 172.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -95.49 -47.73 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 123.47 0.708 . . . . 0.0 110.27 -169.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -69.7 2.92 2.83 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.908 0.706 . . . . 0.0 112.908 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.64 -21.76 65.93 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.837 0.855 . . . . 0.0 112.388 169.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.12 21.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 114.709 0.643 . . . . 0.0 114.709 169.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.85 -173.78 4.71 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.507 1.153 . . . . 0.0 111.505 -168.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 6.4 m -121.7 -35.04 3.29 Favored 'General case' 0 N--CA 1.458 -0.056 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 57' ' ' ALA . . . . . 0.646 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -158.46 -32.12 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-O 117.873 -1.06 . . . . 0.0 113.709 -169.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 58' ' ' PRO . . . . . 0.646 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 32.9 Cg_exo -72.99 -179.4 4.26 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 121.517 1.478 . . . . 0.0 113.464 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 124.215 1.006 . . . . 0.0 112.009 173.592 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.769 3.569 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.905 3.705 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 O4'-C1'-N19 112.784 4.584 . 0.679 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 O4'-C1'-N19 112.058 3.858 . 0.077 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.453 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C3'-C2'-C1' 104.205 3.006 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.453 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.127 1 C5'-C4'-C3' 108.978 -4.348 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.759 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 O4'-C1'-N19 112.017 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.464 -2.691 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 O5'-C5'-C4' 114.278 2.913 . 0.025 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C3'-C2'-C1' 104.775 3.639 . 0.163 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 O4'-C1'-N19 111.415 3.215 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C5'-C4'-C3' 111.702 -2.532 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 1 C5'-C4'-C3' 108.453 -4.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 100.33 -2.37 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 0 O4'-C1'-N19 111.745 3.545 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 N19-C1'-C2' 107.849 -3.469 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 111.688 3.488 . 0.83 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.689 4.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O4'-C1'-N19 110.948 2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.922 3.722 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 1 O4'-C1'-N19 112.514 4.314 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 O4'-C1'-N19 111.097 2.897 . 0.055 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 O4'-C1'-N19 112.661 4.461 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 O4'-C1'-N19 112.117 3.917 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C5'-C4'-C3' 110.002 -3.666 . 0.286 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.894 0 O4'-C1'-N19 111.01 2.81 . 0.454 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.418 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C5'-C4'-C3' 112.191 -2.206 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.425 " O2'" ' HE2' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C5'-C4'-C3' 111.834 -2.444 . 0.049 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 111.292 -2.805 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 C5'-C4'-C3' 109.132 -4.245 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 P-O3'-C3' 125.774 5.062 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 O4'-C1'-N19 111.3 3.1 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 1 O4'-C1'-N19 112.402 4.202 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 111.751 3.551 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 111.066 2.866 . 0.261 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.59 3.39 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C3'-C2'-C1' 103.54 2.267 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 0 C3'-C2'-C1' 104.111 2.901 . 0.266 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 O4'-C1'-N19 113.706 5.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 1 C5'-C4'-C3' 108.931 -4.379 . 0.024 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . 0.403 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.296 2 C3'-C2'-C1' 106.095 5.106 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . 0.403 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.303 1 C5'-C4'-C3' 109.25 -4.166 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 O4'-C1'-N19 112.902 4.702 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 1 O4'-C1'-N19 112.6 4.4 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.429 3.229 . 0.444 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O4'-C1'-N19 112.176 3.976 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 C3'-C2'-C1' 104.501 3.335 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.402 -3.298 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 C5'-C4'-C3' 110.987 -3.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . 0.418 " H2'" H5'' ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.337 0 C3'-C2'-C1' 104.026 2.807 . 0.387 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.462 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.347 3 C5'-C4'-C3' 107.77 -5.153 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . 0.418 H5'' " H2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.073 1 P-O3'-C3' 126.646 5.788 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.448 4.248 . 0.516 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C4'-C3'-C2' 99.743 -2.957 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 O4'-C1'-N19 111.432 3.232 . 0.443 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 1 O4'-C1'-N19 112.201 4.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.599 3.399 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 1 O4'-C1'-N19 112.361 4.161 . 0.164 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 111.497 3.297 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.393 4.193 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C1'-N19 111.975 3.775 . 0.537 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 O4'-C1'-N19 111.174 2.974 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 99.412 -3.288 . 0.011 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C3'-C2'-C1' 103.97 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.494 0 C5'-C4'-C3' 111.188 -2.875 . 0.149 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 C5'-C4'-C3' 105.079 -6.947 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 1 P-O3'-C3' 125.678 4.982 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 110.973 2.773 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 1 O4'-C1'-N19 112.642 4.442 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C4'-C3'-C2' 99.578 -3.122 . 0.351 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 O4'-C1'-N19 111.404 3.204 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.5 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.26 112.51 24.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.675 0.79 . . . . 0.0 109.848 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.29 137.66 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.663 0.785 . . . . 0.0 110.434 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 mt -132.06 153.88 49.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.195 0.998 . . . . 0.0 109.56 173.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -127.98 101.01 6.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 109.241 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 142.92 33.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.62 167.26 19.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.182 0.993 . . . . 0.0 112.856 -168.634 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.485 HG13 ' HA2' ' A' ' 24' ' ' GLY . 52.2 t -44.35 130.71 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.452 1.101 . . . . 0.0 110.241 167.456 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -11.73 70.79 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.5 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -79.52 172.38 13.87 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.456 1.628 . . . . 0.0 112.477 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -147.47 143.72 28.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.637 0.775 . . . . 0.0 111.955 -169.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.1 mm -113.57 153.44 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.952 1.301 . . . . 0.0 109.982 174.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -122.57 137.3 54.93 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.58 1.152 . . . . 0.0 109.817 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt -131.99 125.83 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.375 1.07 . . . . 0.0 109.478 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -128.29 28.84 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.68 1.45 7.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.801 0.841 . . . . 0.0 112.285 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -135.1 -25.61 1.36 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.72 134.94 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 119.071 0.85 . . . . 0.0 110.468 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -127.35 144.27 51.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 109.526 170.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -124.47 140.5 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.054 1.342 . . . . 0.0 107.981 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.8 m -138.34 132.39 31.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.341 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.9 tp -83.09 103.28 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 171.314 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.9 -29.05 63.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.979 -0.451 . . . . 0.0 109.786 -176.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.05 -172.52 41.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 113.728 0.251 . . . . 0.0 113.728 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.81 145.26 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.81 0.844 . . . . 0.0 110.948 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 m -136.98 65.16 1.51 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.932 1.293 . . . . 0.0 109.693 -170.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.98 -122.19 12.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.97 -12.47 60.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.611 0.764 . . . . 0.0 111.812 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -99.0 157.72 16.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.823 0.821 . . . . 0.0 112.419 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.41 125.38 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.766 1.627 . . . . 0.0 108.274 -169.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -101.62 101.95 12.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.477 0.711 . . . . 0.0 110.127 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mt -108.61 131.35 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.139 1.376 . . . . 0.0 109.505 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.9 138.26 14.08 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 123.845 0.736 . . . . 0.0 111.484 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -112.11 130.4 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.288 1.435 . . . . 0.0 107.936 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.28 74.97 1.02 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.209 1.004 . . . . 0.0 109.363 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.96 152.85 40.39 Favored Pre-proline 0 N--CA 1.453 -0.312 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.708 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.15 155.43 56.67 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.532 2.155 . . . . 0.0 110.398 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -69.18 -1.08 6.97 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.88 -31.06 71.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.774 0.829 . . . . 0.0 111.358 168.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.98 144.02 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 121.839 0.828 . . . . 0.0 111.343 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.0 32.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.818 0.847 . . . . 0.0 110.721 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.52 127.51 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.548 0.339 . . . . 0.0 110.345 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CD2' HD11 ' A' ' 51' ' ' ILE . 95.6 m-70 -151.11 -176.97 5.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.385 1.074 . . . . 0.0 109.971 -172.284 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -123.96 167.8 13.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 169.952 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.564 -173.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.97 -25.47 61.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.869 1.268 . . . . 0.0 112.981 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -117.63 -24.46 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 125.017 1.327 . . . . 0.0 111.168 -172.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -63.82 -30.58 71.66 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.487 0.715 . . . . 0.0 110.184 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.07 -13.28 60.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.667 0.787 . . . . 0.0 111.753 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.54 -34.65 35.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.342 1.057 . . . . 0.0 110.669 169.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.47 HD11 ' CD2' ' A' ' 43' ' ' HIS . 26.7 mt -62.95 -54.01 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.928 0.891 . . . . 0.0 108.61 172.606 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.3 mm100 -84.17 5.18 27.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.855 0.862 . . . . 0.0 112.758 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.06 -28.08 66.12 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.58 0.352 . . . . 0.0 111.173 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.97 14.23 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 CA-C-O 118.972 -0.904 . . . . 0.0 113.298 173.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 56' ' ' THR . 11.8 mt -92.02 90.58 7.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.898 1.349 . . . . 0.0 107.806 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.1 p 158.75 147.32 0.01 OUTLIER 'General case' 0 C--O 1.23 0.075 0 C-N-CA 127.651 2.38 . . . . 0.0 108.837 -171.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.14 151.36 46.57 Favored Pre-proline 0 N--CA 1.454 -0.23 0 C-N-CA 123.142 0.577 . . . . 0.0 110.427 167.23 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -75.58 162.02 36.24 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.962 2.441 . . . . 0.0 111.577 171.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.9 t0 . . . . . 0 N--CA 1.45 -0.425 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.375 177.798 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.33 123.1 49.32 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 168.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -118.82 139.59 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -165.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -134.56 138.74 44.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.974 1.31 . . . . 0.0 110.548 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -115.42 103.76 11.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -129.11 157.96 40.3 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.97 0.908 . . . . 0.0 110.955 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -92.33 170.2 9.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.0 112.575 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -63.37 135.19 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.428 0.632 . . . . 0.0 111.056 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.18 -2.25 78.48 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 114.272 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.61 155.44 23.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.848 1.324 . . . . 0.0 112.087 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -123.45 146.02 48.36 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.307 1.043 . . . . 0.0 111.226 -173.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.3 mt -136.3 151.75 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.243 1.417 . . . . 0.0 109.258 -170.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -135.51 142.24 45.41 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -169.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -134.1 127.7 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.627 1.171 . . . . 0.0 109.509 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -136.72 50.52 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -119.66 -4.14 10.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.613 0.765 . . . . 0.0 112.382 172.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -107.18 -20.99 13.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.463 0.705 . . . . 0.0 112.795 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.21 134.54 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.853 0.752 . . . . 0.0 111.209 -169.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -129.65 148.41 51.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.789 1.236 . . . . 0.0 109.652 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -125.53 144.58 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.076 1.75 . . . . 0.0 107.76 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -136.06 127.18 27.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.793 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.4 tp -79.2 105.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 170.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.51 -31.96 63.99 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.754 -0.591 . . . . 0.0 110.94 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.59 157.72 8.56 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-O 121.324 0.402 . . . . 0.0 112.574 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.68 144.69 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.7 t -130.08 73.99 1.56 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.33 -135.36 13.25 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.493 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.63 13.03 23.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.252 0.621 . . . . 0.0 110.197 167.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -98.8 143.35 29.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.89 117.38 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.998 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.37 117.56 24.37 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.826 1.25 . . . . 0.0 109.088 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.793 HG22 ' HA ' ' B' ' 22' ' ' ILE . 6.7 pt -136.9 144.87 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.483 0.713 . . . . 0.0 111.319 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.27 144.66 15.86 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 124.034 0.826 . . . . 0.0 111.902 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.36 132.14 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.093 0.957 . . . . 0.0 108.667 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -130.69 83.11 2.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.404 -167.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.64 156.01 80.68 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.857 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -57.43 154.41 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 121.506 1.471 . . . . 0.0 110.672 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LYS . . . . . 0.615 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.9 mmtm -71.15 -0.71 10.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.918 -0.489 . . . . 0.0 112.011 171.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.94 -25.16 67.0 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.969 1.308 . . . . 0.0 112.18 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -108.16 144.06 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.809 0.844 . . . . 0.0 110.376 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 142.52 27.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 111.526 171.042 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.22 97.97 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.608 -166.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.471 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.1 OUTLIER -147.09 160.72 42.08 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.632 0.773 . . . . 0.0 111.372 178.139 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -62.39 153.23 31.82 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.073 0.549 . . . . 0.0 111.567 169.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -54.24 -36.19 63.28 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 123.823 0.849 . . . . 0.0 112.408 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -51.22 63.61 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.636 0.653 . . . . 0.0 111.401 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -69.47 -44.23 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 110.773 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -51.43 -37.99 51.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.089 0.956 . . . . 0.0 112.086 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.1 mpt_? -79.68 -38.18 34.13 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.068 0.849 . . . . 0.0 110.295 173.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 92.0 mt -64.41 -41.95 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -178.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -78.93 4.98 12.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 173.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.04 -18.26 53.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.938 -0.476 . . . . 0.0 111.442 168.625 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.1 45.53 0.09 OUTLIER Glycine 0 CA--C 1.524 0.647 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.284 168.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.82 -175.7 2.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.044 0.922 . . . . 0.0 112.952 -168.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -126.07 178.35 5.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.464 1.505 . . . . 0.0 109.351 167.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -39.51 117.18 1.15 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 124.333 1.053 . . . . 0.0 111.271 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.0 Cg_exo -66.86 167.16 20.29 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.526 1.484 . . . . 0.0 114.754 -168.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.445 171.079 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 13.7 tpp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 105.72 10.88 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.169 1.788 . . . . 0.0 106.213 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.69 133.03 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 123.373 0.669 . . . . 0.0 109.474 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.2 134.98 48.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.315 1.046 . . . . 0.0 109.19 169.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -91.17 151.08 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.08 131.75 18.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.28 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.494 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.6 tptm -77.57 153.6 33.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 170.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -58.95 135.87 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.005 0.431 . . . . 0.0 111.988 -175.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.39 -1.98 80.18 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.602 1.096 . . . . 0.0 114.16 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.75 164.15 11.99 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.021 1.411 . . . . 0.0 111.746 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -120.88 161.05 22.2 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -167.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -137.04 160.48 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.692 2.397 . . . . 0.0 108.026 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.96 150.91 52.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.035 -1.041 . . . . 0.0 112.068 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.6 mt -132.58 133.17 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.47 1.108 . . . . 0.0 108.979 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.93 -142.01 44.49 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.614 0.626 . . . . 0.0 112.048 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -114.88 0.51 13.78 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.598 1.159 . . . . 0.0 111.321 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -122.38 -12.07 8.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.12 134.62 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.845 0.748 . . . . 0.0 110.869 -173.303 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 33.4 m -120.92 146.8 46.25 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.381 1.072 . . . . 0.0 109.806 170.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -125.94 141.73 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.483 1.513 . . . . 0.0 108.08 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -132.45 135.06 45.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 170.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' C' ' 22' ' ' ILE . 5.8 tp -90.13 111.41 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 169.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.32 -46.49 10.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.859 -0.526 . . . . 0.0 111.136 -167.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.4 -178.04 46.36 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.822 169.624 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.3 154.51 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 CA-C-O 121.563 0.697 . . . . 0.0 112.223 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.25 110.37 5.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.958 2.103 . . . . 0.0 107.283 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.05 -117.21 7.85 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 119.362 0.983 . . . . 0.0 110.851 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -98.19 -9.26 25.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 16.5 pt20 -86.33 145.68 26.81 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.004 0.907 . . . . 0.0 111.637 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -130.11 116.45 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 114.302 -1.317 . . . . 0.0 107.6 -168.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -76.67 114.12 15.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.99 136.58 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.884 1.674 . . . . 0.0 109.656 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 138.59 15.0 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.291 0.948 . . . . 0.0 112.037 172.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -127.46 124.22 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.772 1.229 . . . . 0.0 108.931 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.02 100.17 7.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.386 0.674 . . . . 0.0 109.834 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.29 156.2 71.98 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.384 1.073 . . . . 0.0 110.191 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.61 151.89 82.92 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.767 2.311 . . . . 0.0 111.212 171.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.31 -0.88 2.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.387 0.675 . . . . 0.0 112.715 172.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.99 -24.21 66.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.402 1.081 . . . . 0.0 111.516 169.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.09 146.46 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.082 0.953 . . . . 0.0 110.308 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 153.53 22.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.69 0.396 . . . . 0.0 111.206 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -138.01 131.18 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.017 0.527 . . . . 0.0 109.624 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -155.26 162.53 40.87 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.105 0.562 . . . . 0.0 112.179 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -79.03 159.57 27.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 166.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.06 -31.85 69.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.68 -45.96 88.31 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 111.652 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 mm -87.51 -30.4 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.151 0.58 . . . . 0.0 110.525 -172.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -51.78 -36.98 49.58 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.653 0.781 . . . . 0.0 112.238 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -60.07 -31.42 69.98 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.641 0.776 . . . . 0.0 112.321 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -69.97 -36.53 75.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.259 0.624 . . . . 0.0 111.682 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.58 -20.88 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 O-C-N 121.975 -0.453 . . . . 0.0 110.152 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -90.51 -13.75 34.06 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.461 0.704 . . . . 0.0 112.564 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.33 -27.11 47.07 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.074 0.949 . . . . 0.0 112.042 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 101.57 140.71 11.34 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 124.061 0.839 . . . . 0.0 111.785 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.99 14.34 0.81 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.975 0.91 . . . . 0.0 112.716 -169.574 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.9 m -62.73 140.86 58.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.613 0.765 . . . . 0.0 111.084 -171.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 50.09 71.88 1.42 Allowed Pre-proline 0 N--CA 1.454 -0.259 0 C-N-CA 124.976 1.31 . . . . 0.0 112.086 -169.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.31 139.02 81.08 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.469 2.779 . . . . 0.0 112.699 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 CA--C 1.528 0.109 0 C-N-CA 126.715 2.006 . . . . 0.0 114.372 177.095 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.544 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -107.58 116.0 31.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.316 1.446 . . . . 0.0 109.375 172.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.544 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -109.12 141.46 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 125.158 1.383 . . . . 0.0 109.8 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.94 160.39 35.98 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.8 0.84 . . . . 0.0 111.525 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p -87.56 150.85 23.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.415 0.626 . . . . 0.0 112.143 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -145.9 130.96 18.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.123 1.369 . . . . 0.0 108.206 169.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . 0.25 18.4 ptpt -99.14 162.72 12.9 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 120.161 1.346 . . . . 0.0 112.714 171.547 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 m -53.75 137.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.494 -167.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -5.58 76.67 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.35 0.976 . . . . 0.0 114.016 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -95.72 177.16 5.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.799 1.3 . . . . 0.0 112.27 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -135.15 157.75 46.11 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.5 mt -141.38 159.68 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 127.324 2.25 . . . . 0.0 108.423 -176.41 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 -137.84 149.18 46.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.784 0.833 . . . . 0.0 112.151 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.19 137.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.809 1.244 . . . . 0.0 109.195 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.22 -137.55 49.85 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -120.14 4.31 10.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 112.019 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.29 -8.11 4.25 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.15 137.73 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.757 0.708 . . . . 0.0 110.68 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.4 m -126.64 145.06 50.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.496 1.118 . . . . 0.0 109.774 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -124.61 140.23 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 125.453 1.501 . . . . 0.0 107.993 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -132.55 129.55 39.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -87.54 94.56 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.0 -31.75 69.58 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.343 0.657 . . . . 0.0 110.945 -170.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.83 -176.84 41.79 Favored Glycine 0 CA--C 1.524 0.625 0 CA-C-O 120.752 0.084 . . . . 0.0 112.973 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -114.81 159.19 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.585 0.754 . . . . 0.0 109.81 167.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -142.78 79.14 1.64 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 169.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.07 -112.97 3.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -173.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.494 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.18 -5.66 43.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.499 0.72 . . . . 0.0 110.635 174.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.41 HE22 ' H41' ' G' ' 4' ' ' ' C' . 22.9 mt-30 -75.01 152.78 38.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.721 0.772 . . . . 0.0 111.353 169.065 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -128.58 119.31 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -89.9 113.42 25.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -120.64 127.4 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.608 0.763 . . . . 0.0 109.789 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.1 137.92 13.78 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' C' ' 1' ' ' MET . 4.7 mp -125.18 138.67 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -137.71 98.72 3.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.01 155.84 76.03 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.533 1.133 . . . . 0.0 109.751 -174.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.89 151.74 79.22 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.161 1.907 . . . . 0.0 110.51 169.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.66 -0.98 2.36 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.251 0.62 . . . . 0.0 112.35 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.88 -23.76 66.72 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.889 1.276 . . . . 0.0 111.119 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.61 160.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.658 1.183 . . . . 0.0 110.772 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.58 156.99 16.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.438 0.695 . . . . 0.0 112.206 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -149.89 121.91 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 122.805 0.442 . . . . 0.0 109.83 167.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -149.59 166.02 30.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.437 0.695 . . . . 0.0 111.402 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -60.69 156.91 15.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 167.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -60.43 -34.48 74.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.295 0.952 . . . . 0.0 110.702 173.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.66 -47.65 70.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.489 1.116 . . . . 0.0 112.177 169.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -84.9 -28.81 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.334 0.654 . . . . 0.0 111.674 -173.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -52.37 -40.51 62.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.382 0.673 . . . . 0.0 110.788 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.09 -20.96 66.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.214 1.006 . . . . 0.0 113.219 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -72.37 -52.56 15.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.467 HD12 ' H ' ' D' ' 51' ' ' ILE . 4.4 mp -61.21 -37.16 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.45 2.01 20.32 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.496 0.718 . . . . 0.0 112.03 -177.313 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.93 -5.51 31.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.513 0.725 . . . . 0.0 111.838 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.59 35.78 1.52 Allowed Glycine 0 C--N 1.339 0.714 0 C-N-CA 124.014 0.816 . . . . 0.0 112.98 170.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 pp -164.47 -168.73 1.59 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.908 0.854 . . . . 0.0 112.778 -166.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 56' ' ' THR . . . . . 0.465 HG22 ' H ' ' D' ' 57' ' ' ALA . 4.1 m -133.9 171.36 14.28 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.701 1.6 . . . . 0.0 107.843 167.642 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.465 ' H ' HG22 ' D' ' 56' ' ' THR . . . -47.66 127.25 10.73 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 123.462 0.705 . . . . 0.0 111.927 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -63.13 172.63 4.83 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.836 2.358 . . . . 0.0 113.99 -178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 N--CA 1.453 -0.325 0 C-N-CA 124.16 0.984 . . . . 0.0 112.052 178.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.27 123.09 18.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.473 1.109 . . . . 0.0 108.912 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.98 139.91 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 124.041 0.936 . . . . 0.0 109.753 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 49.2 mt -136.84 165.05 26.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.424 1.49 . . . . 0.0 111.109 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 106.4 8.35 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 167.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.1 129.8 56.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.635 1.574 . . . . 0.0 110.194 -173.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -93.73 165.12 12.86 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.769 1.168 . . . . 0.0 112.713 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.05 139.18 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.427 -169.651 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -3.92 86.57 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 124.002 0.811 . . . . 0.0 114.189 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -94.35 175.2 6.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.641 1.22 . . . . 0.0 111.188 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 33.9 m -135.69 155.77 49.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -169.292 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -133.83 154.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.947 2.099 . . . . 0.0 108.095 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -129.03 149.37 50.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.538 -0.726 . . . . 0.0 112.149 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.73 134.85 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.79 1.236 . . . . 0.0 109.551 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.38 51.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -129.98 10.01 5.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.65 0.78 . . . . 0.0 112.678 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -126.34 -11.72 6.29 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.97 131.32 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.242 0.928 . . . . 0.0 110.912 -170.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -122.61 142.53 50.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.239 1.016 . . . . 0.0 109.611 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm -120.93 137.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.313 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -131.3 126.08 34.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.398 0.679 . . . . 0.0 109.726 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.8 101.65 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.19 -30.43 67.54 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.18 -0.325 . . . . 0.0 110.761 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.12 -176.75 32.68 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 123.304 0.478 . . . . 0.0 113.603 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 m -108.65 160.71 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.893 0.877 . . . . 0.0 111.745 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -150.01 89.89 1.64 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.858 1.263 . . . . 0.0 109.11 169.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.14 -106.04 1.6 Allowed Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.806 -0.559 . . . . 0.0 111.797 -176.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -97.23 -19.65 18.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 117.672 0.736 . . . . 0.0 111.736 171.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -71.67 148.04 46.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.423 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.7 114.37 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -91.1 121.16 32.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.02 128.92 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.324 -168.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.64 133.25 11.7 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 169.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.04 116.77 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.737 1.215 . . . . 0.0 107.925 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -118.18 98.89 6.53 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -169.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.4 153.15 72.54 Favored Pre-proline 0 N--CA 1.449 -0.496 0 C-N-CA 124.386 1.074 . . . . 0.0 109.557 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.24 150.15 76.06 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 122.012 1.808 . . . . 0.0 111.112 171.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -4.28 8.32 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 124.172 0.989 . . . . 0.0 113.277 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.89 -28.23 69.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.792 1.637 . . . . 0.0 111.799 171.339 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -113.68 161.48 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.406 1.083 . . . . 0.0 109.412 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.43 153.58 17.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -154.97 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.235 0.614 . . . . 0.0 110.474 168.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -151.21 165.78 32.89 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.282 1.033 . . . . 0.0 109.949 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -74.82 162.6 28.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.828 -0.545 . . . . 0.0 109.99 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -62.08 -24.54 67.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.809 0.444 . . . . 0.0 112.164 -170.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.04 -50.44 73.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 112.009 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.27 -33.43 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.704 0.802 . . . . 0.0 110.083 -172.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 74.2 t80 -54.56 -37.06 65.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.074 0.95 . . . . 0.0 112.412 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -65.91 -28.47 68.96 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.206 0.603 . . . . 0.0 112.364 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.22 -22.96 60.33 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.41 0.684 . . . . 0.0 110.829 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -95.44 -41.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.675 1.19 . . . . 0.0 110.037 -172.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 16.5 mm100 -74.25 2.65 8.68 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.599 0.76 . . . . 0.0 112.678 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -22.12 66.89 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.812 0.845 . . . . 0.0 112.427 171.164 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.54 32.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.72 0 CA-C-O 118.976 -0.902 . . . . 0.0 114.947 169.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.69 41.6 0.41 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.746 1.273 . . . . 0.0 113.739 -169.068 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 4.6 m -67.09 -24.15 65.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.156 -0.965 . . . . 0.0 112.168 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.56 94.6 34.83 Favored Pre-proline 0 N--CA 1.451 -0.415 0 C-N-CA 124.369 1.068 . . . . 0.0 109.308 168.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -66.17 176.1 4.23 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 123.018 2.479 . . . . 0.0 113.623 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.454 -0.271 0 C-N-CA 124.293 1.037 . . . . 0.0 112.227 177.149 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.244 0.068 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -107.22 140.95 39.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.889 0.475 . . . . 0.0 110.534 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.0 121.22 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 4' ' ' LEU . . . . . 0.404 HD13 ' C2 ' ' G' ' 38' ' ' ' A' . 3.5 mm? -115.8 150.75 36.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.327 1.451 . . . . 0.0 109.47 -178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 114.44 21.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.39 126.5 45.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.882 1.273 . . . . 0.0 109.991 -169.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.83 165.7 12.78 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 119.505 1.048 . . . . 0.0 112.431 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 m -58.98 135.03 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.623 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.32 76.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.347 0.975 . . . . 0.0 114.23 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -96.83 172.04 8.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.726 1.263 . . . . 0.0 111.561 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -136.02 159.46 41.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -169.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.0 mt -137.23 157.03 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.64 1.976 . . . . 0.0 108.113 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 45.8 m-80 -129.76 149.63 51.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.444 -0.785 . . . . 0.0 112.182 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -133.86 138.79 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.549 1.139 . . . . 0.0 108.991 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.26 -135.96 51.39 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.39 10.07 7.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.186 0.994 . . . . 0.0 112.325 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -131.2 -20.46 2.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.48 137.07 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.134 0.879 . . . . 0.0 110.855 -171.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -126.82 142.87 51.43 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.418 1.087 . . . . 0.0 110.257 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -119.7 140.49 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.7 1.6 . . . . 0.0 108.157 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -135.72 128.8 31.6 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.256 0.622 . . . . 0.0 109.885 176.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.28 109.13 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -81.16 -27.89 35.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.156 0.582 . . . . 0.0 111.186 -172.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.61 -173.59 34.36 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.193 0.425 . . . . 0.0 113.47 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.24 158.45 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 123.541 0.737 . . . . 0.0 111.96 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -150.05 91.35 1.77 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.681 1.193 . . . . 0.0 109.105 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -111.45 3.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.51 -21.04 20.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.434 0.617 . . . . 0.0 111.812 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.53 142.38 44.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.067 0.547 . . . . 0.0 110.175 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -133.92 115.35 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -85.46 127.0 34.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.69 139.3 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.652 0.781 . . . . 0.0 109.966 -169.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 139.71 15.67 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.64 141.07 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.364 1.066 . . . . 0.0 109.469 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -130.22 107.92 9.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.245 1.018 . . . . 0.0 109.072 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.1 158.14 74.34 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.085 0.954 . . . . 0.0 111.256 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -65.19 162.53 32.72 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.966 2.444 . . . . 0.0 112.197 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.58 -5.01 30.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.41 0.684 . . . . 0.0 112.608 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.68 -20.16 64.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.636 1.175 . . . . 0.0 112.431 171.631 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -128.42 164.98 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 123.93 0.892 . . . . 0.0 111.271 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.05 162.35 13.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.873 0.869 . . . . 0.0 111.235 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.64 125.26 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.19 0.596 . . . . 0.0 110.541 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -153.03 173.19 15.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.014 0.926 . . . . 0.0 110.634 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -74.36 162.31 29.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 168.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.31 -21.78 62.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.62 -44.35 94.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -86.42 -29.86 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 123.252 0.621 . . . . 0.0 109.669 -172.404 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 48' ' ' TYR . . . . . 0.489 ' HA ' HG12 ' F' ' 51' ' ' ILE . 73.9 t80 -53.61 -34.31 58.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.835 0.854 . . . . 0.0 112.643 175.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -67.96 -22.0 65.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.427 0.691 . . . . 0.0 112.361 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -85.11 -22.97 28.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.442 0.697 . . . . 0.0 111.329 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.489 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.4 mm -68.8 -57.68 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.73 0.812 . . . . 0.0 109.221 170.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -75.9 3.17 10.66 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.82 0.848 . . . . 0.0 112.535 -170.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.61 -24.71 65.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.047 0.939 . . . . 0.0 112.414 169.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.4 28.13 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 CA-C-O 119.328 -0.706 . . . . 0.0 114.656 169.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -159.34 -177.42 6.43 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.368 1.084 . . . . 0.0 111.775 -169.076 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 39.4 m -139.14 142.5 38.03 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.2 1.0 . . . . 0.0 109.114 168.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 51.85 82.95 0.23 Allowed Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 125.328 1.451 . . . . 0.0 112.957 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.47 171.28 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.583 2.855 . . . . 0.0 114.705 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 124.726 1.211 . . . . 0.0 112.074 171.415 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 112.174 3.974 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.66 3.46 . 0.364 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.59 4.39 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . 0.41 ' H41' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 O4'-C1'-N19 111.896 3.696 . 0.258 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.583 3.383 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-O4' 114.465 3.761 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.852 3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 C3'-C2'-C1' 103.755 2.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.448 0 O5'-C5'-C4' 113.716 2.511 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 0 C3'-C2'-C1' 104.753 3.614 . 0.212 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.33 0 O4'-C1'-N19 111.332 3.132 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 0 C5'-C4'-C3' 112.242 -2.172 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C5'-C4'-C3' 108.406 -4.729 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 O4'-C1'-N19 110.511 2.311 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 111.766 3.566 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 O4'-C1'-N19 111.384 3.184 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C5'-C4'-C3' 110.104 -3.598 . 0.769 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 1 O4'-C1'-N19 113.326 5.126 . 0.079 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 110.909 2.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.915 3.715 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 O4'-C1'-N19 112.661 4.461 . 0.501 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.279 3.079 . 0.048 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 113.121 4.921 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 O4'-C1'-N19 111.998 3.798 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . 0.447 " H2'" ' C8 ' ' G' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 C5'-C4'-C3' 110.863 -3.091 . 0.853 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O5'-C5'-C4' 113.785 2.561 . 0.45 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.471 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C4'-C3'-C2' 100.272 -2.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.615 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C5'-C4'-C3' 112.759 -1.827 . 0.021 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 C5'-C4'-C3' 111.31 -2.793 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 109.238 -4.175 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 P-O3'-C3' 125.228 4.606 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.093 2.893 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 1 O4'-C1'-N19 112.468 4.268 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 111.824 3.624 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 C4'-C3'-C2' 99.777 -2.923 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.282 3.082 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 1 O4'-C1'-N19 112.209 4.009 . 0.261 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . 0.404 ' C2 ' HD13 ' F' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 O4'-C4'-C3' 109.089 2.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 1 C5'-C4'-C3' 109.26 -4.16 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 2 O4'-C1'-N19 114.591 6.391 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 0 C5'-C4'-C3' 110.151 -3.566 . 0.139 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . 0.425 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.283 2 C3'-C2'-C1' 106.396 5.44 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . 0.425 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.333 0 O4'-C1'-N19 111.87 3.67 . 0.043 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 O4'-C1'-N19 112.788 4.588 . 0.208 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 1 O4'-C1'-N19 112.957 4.757 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 O4'-C1'-N19 111.36 3.16 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 112.199 3.999 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 C3'-C2'-C1' 104.672 3.525 . 0.316 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.847 -2.853 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 111.214 -2.857 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . 0.402 ' C2 ' " H1'" ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.462 0 C5'-C4'-C3' 111.224 -2.851 . 0.41 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.408 1 O5'-C5'-C4' 116.912 4.794 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . 0.402 " H1'" ' C2 ' ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C5'-C4'-C3' 111.784 -2.478 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 112.018 3.818 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C4'-C3'-C2' 100.134 -2.566 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 O4'-C1'-N19 111.465 3.265 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C3'-C2'-C1' 104.408 3.231 . 0.219 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.199 2.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 112.169 3.969 . 0.062 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 O4'-C1'-N19 111.515 3.315 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.887 3.687 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 O4'-C1'-N19 111.362 3.162 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 1 C3'-C2'-C1' 105.117 4.019 . 0.242 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.292 0 C4'-C3'-C2' 100.011 -2.689 . 0.032 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C5'-C4'-C3' 111.927 -2.382 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.383 0 C5'-C4'-C3' 110.312 -3.458 . 0.174 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.404 ' C6 ' ' CE ' ' D' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.415 -3.142 2 C5'-C4'-C3' 105.937 -6.376 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.4 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.274 1 P-O3'-C3' 125.555 4.879 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.044 2.844 . 0.884 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 1 O4'-C1'-N19 112.723 4.523 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 99.942 -2.758 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 0 O4'-C1'-N19 111.204 3.004 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 113.16 24.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.599 0.76 . . . . 0.0 108.997 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.38 121.15 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.54 158.06 23.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.932 0.893 . . . . 0.0 109.452 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 m -125.02 100.9 6.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.66 137.41 53.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.861 0.864 . . . . 0.0 110.729 -167.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -99.08 160.87 13.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.358 0.663 . . . . 0.0 110.176 -172.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 25' ' ' VAL . 27.3 m -64.32 138.17 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 121.492 -0.755 . . . . 0.0 111.64 -173.01 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.21 -7.87 78.01 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.472 1.034 . . . . 0.0 114.681 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -85.83 166.95 15.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 119.433 1.617 . . . . 0.0 112.672 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -132.91 140.09 47.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.924 0.89 . . . . 0.0 111.584 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 23.4 mm -114.8 151.22 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 125.367 1.467 . . . . 0.0 108.881 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -124.55 136.58 54.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.932 0.893 . . . . 0.0 110.149 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -130.87 130.84 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.1 0.96 . . . . 0.0 109.806 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 -127.46 27.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -127.29 -2.19 6.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.941 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.65 -3.15 0.81 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -168.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.05 134.01 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 119.484 1.038 . . . . 0.0 110.638 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 146.25 51.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.773 0.829 . . . . 0.0 109.635 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -130.49 127.37 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.402 1.081 . . . . 0.0 108.562 -172.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -127.45 130.33 49.08 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.916 0.78 . . . . 0.0 111.004 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 22' ' ' ILE . 3.9 tp -83.72 111.17 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -32.35 59.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.33 -170.93 31.6 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 115.234 0.853 . . . . 0.0 115.234 165.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.674 HG13 HG11 ' A' ' 8' ' ' VAL . 21.7 m -88.0 157.16 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 C-N-CA 123.929 0.892 . . . . 0.0 112.333 -169.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -142.04 60.92 1.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.136 1.374 . . . . 0.0 109.448 169.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.94 -122.52 16.52 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -172.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -79.9 -0.86 36.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.164 0.586 . . . . 0.0 112.123 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -98.86 159.91 14.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.057 0.932 . . . . 0.0 110.906 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -140.24 125.35 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 126.109 1.764 . . . . 0.0 107.757 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -107.8 101.98 11.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.644 0.378 . . . . 0.0 110.424 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -114.15 137.19 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 125.16 1.384 . . . . 0.0 110.271 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.23 138.85 14.19 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.349 0.976 . . . . 0.0 111.622 169.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.71 134.48 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.269 1.427 . . . . 0.0 108.269 172.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -120.02 75.55 1.1 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.704 1.202 . . . . 0.0 109.259 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.76 153.03 45.22 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 114.242 -1.345 . . . . 0.0 110.474 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.35 153.92 56.03 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.57 2.18 . . . . 0.0 110.531 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.32 -5.13 17.04 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -68.77 -26.13 65.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.007 0.923 . . . . 0.0 112.198 169.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.16 144.1 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 122.044 0.926 . . . . 0.0 111.984 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.93 143.08 31.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.365 1.066 . . . . 0.0 111.454 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 t -129.53 117.46 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.814 0.845 . . . . 0.0 109.532 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -151.38 156.19 40.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.365 0.666 . . . . 0.0 111.614 -175.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 160.14 31.19 Favored 'General case' 0 C--O 1.227 -0.096 0 O-C-N 121.974 -0.453 . . . . 0.0 110.347 171.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.92 -27.73 68.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.792 -0.568 . . . . 0.0 111.991 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.38 -1.86 35.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.78 -30.15 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.214 1.005 . . . . 0.0 111.219 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.95 -31.6 72.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.142 -0.974 . . . . 0.0 110.414 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -75.44 -12.15 60.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.851 0.46 . . . . 0.0 111.833 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -33.61 33.62 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.032 0.933 . . . . 0.0 110.69 169.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 43.0 mt -65.19 -52.44 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.868 0.867 . . . . 0.0 108.925 171.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -83.95 5.09 26.83 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.553 0.741 . . . . 0.0 112.304 -175.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.61 -24.89 64.18 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.584 0.354 . . . . 0.0 110.993 168.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.19 2.53 0.06 OUTLIER Glycine 0 CA--C 1.525 0.696 0 C-N-CA 123.835 0.731 . . . . 0.0 113.201 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 56' ' ' THR . 13.5 mt -86.31 90.59 8.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.625 1.212 . . . . 0.0 107.754 -174.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.5 p 153.28 -22.78 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 127.999 2.52 . . . . 0.0 110.582 -169.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.81 156.76 6.24 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.749 1.22 . . . . 0.0 113.824 -168.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.58 -32.08 34.01 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 124.246 3.297 . . . . 0.0 114.086 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.976 0.417 . . . . 0.0 111.434 -179.177 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -101.27 117.53 35.17 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.441 HD11 " H5'" ' G' ' 52' ' ' ' A' . 59.9 mt -114.89 138.04 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.106 0.479 . . . . 0.0 111.622 -167.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.71 140.17 50.33 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.73 1.212 . . . . 0.0 110.086 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -105.78 100.98 10.52 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.52 151.62 33.03 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.239 1.015 . . . . 0.0 111.077 -170.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -91.0 164.29 14.02 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.904 0.383 . . . . 0.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 m -58.79 130.5 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.958 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.46 -3.43 57.86 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 118.646 -1.086 . . . . 0.0 115.53 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.57 158.25 34.05 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.987 1.894 . . . . 0.0 111.548 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -126.3 147.96 49.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.62 0.768 . . . . 0.0 111.131 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mm -133.91 150.09 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 125.986 1.714 . . . . 0.0 108.732 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -124.59 138.77 54.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.601 1.161 . . . . 0.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -129.06 130.04 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.774 0.829 . . . . 0.0 109.567 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.2 -133.49 52.36 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -174.032 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.59 5.01 6.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.748 0.819 . . . . 0.0 112.816 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.09 -18.2 10.11 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.26 136.68 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 119.258 0.935 . . . . 0.0 111.569 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -133.08 145.63 50.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.879 1.272 . . . . 0.0 109.962 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 mm -129.94 139.41 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 125.054 1.342 . . . . 0.0 109.162 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.35 128.42 37.61 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.5 0.72 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -85.11 106.07 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.87 -32.07 51.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.199 -0.313 . . . . 0.0 110.544 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 177.55 32.83 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.95 141.36 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.102 0.477 . . . . 0.0 110.328 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -114.92 72.56 0.79 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.667 1.187 . . . . 0.0 107.915 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -117.03 4.55 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.477 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.96 8.9 42.43 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.174 -0.604 . . . . 0.0 111.029 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.96 155.44 17.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.122 0.969 . . . . 0.0 110.126 170.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 t -136.55 113.56 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -170.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.69 117.42 25.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 0.0 109.598 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.51 127.26 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.924 0.89 . . . . 0.0 110.343 -169.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.34 137.04 14.13 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -125.21 128.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -129.21 84.68 2.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.326 -167.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.17 154.83 78.78 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.019 -1.446 . . . . 0.0 109.524 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -58.79 151.86 61.22 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.516 1.477 . . . . 0.0 109.264 168.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -70.47 -0.87 9.23 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 122.089 0.947 . . . . 0.0 111.79 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.79 -21.74 66.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.962 1.705 . . . . 0.0 110.984 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 m -124.92 144.08 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.128 1.371 . . . . 0.0 109.513 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.6 143.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.99 116.88 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 124.269 1.028 . . . . 0.0 109.712 169.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.464 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -147.26 164.8 32.05 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 124.854 1.262 . . . . 0.0 110.395 169.502 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.85 156.11 37.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 122.281 -0.262 . . . . 0.0 110.803 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.31 -39.1 66.68 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.396 0.678 . . . . 0.0 111.956 -175.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -50.09 -45.63 52.81 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.771 0.428 . . . . 0.0 110.959 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 mm -77.22 -48.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 125.527 1.531 . . . . 0.0 110.2 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -51.43 -35.55 39.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.301 1.041 . . . . 0.0 111.629 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.33 -22.59 62.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -176.271 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -81.9 -38.81 24.75 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.283 0.947 . . . . 0.0 110.451 169.552 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.413 ' HA ' HD12 ' B' ' 55' ' ' LEU . 97.4 mt -63.78 -40.92 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -80.26 5.02 15.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.53 -19.76 45.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.087 0.555 . . . . 0.0 111.385 168.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 47.04 0.08 OUTLIER Glycine 0 C--N 1.338 0.69 0 CA-C-O 119.418 -0.657 . . . . 0.0 114.447 168.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.06 -176.53 2.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.998 0.899 . . . . 0.0 112.865 -168.341 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.0 p -126.42 -177.6 4.04 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.536 1.535 . . . . 0.0 109.387 168.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -42.78 121.46 2.83 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.13 0.972 . . . . 0.0 111.503 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 51.0 Cg_exo -66.5 173.59 7.51 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.916 1.744 . . . . 0.0 114.899 -169.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 125.481 1.513 . . . . 0.0 112.984 -178.116 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpp . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.495 -0.288 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.77 105.63 14.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 167.289 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.32 134.93 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.093 0.957 . . . . 0.0 109.536 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -126.66 134.9 50.62 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.566 0.746 . . . . 0.0 109.225 168.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.1 p -93.74 143.35 26.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 169.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.446 ' NH1' HD12 ' C' ' 12' ' ' ILE . 1.4 mtp-105 -146.09 163.97 33.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 173.053 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' D' ' 28' ' ' GLN . 13.0 mmmm -98.58 161.22 13.78 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.141 0.577 . . . . 0.0 109.701 172.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.72 134.27 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 120.901 0.381 . . . . 0.0 111.362 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.21 -6.8 72.34 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.81 1.195 . . . . 0.0 114.388 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' GLU . . . . . 0.437 ' C ' ' HE ' ' C' ' 6' ' ' ARG . 47.3 mm-40 -90.38 174.06 7.77 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.077 1.439 . . . . 0.0 112.34 -174.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -132.83 154.21 50.53 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.446 HD12 ' NH1' ' C' ' 6' ' ' ARG . 29.9 mt -135.42 160.19 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 127.461 2.304 . . . . 0.0 108.702 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -128.29 147.1 50.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.254 1.021 . . . . 0.0 111.97 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -134.32 142.67 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.84 1.256 . . . . 0.0 109.131 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.01 -137.52 40.36 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -123.63 10.08 9.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.768 0.827 . . . . 0.0 110.939 169.1 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.51 -8.35 4.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.676 1.19 . . . . 0.0 112.968 -169.659 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.62 136.85 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.568 0.747 . . . . 0.0 110.624 -174.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -122.3 143.51 49.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -121.83 136.92 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.999 1.32 . . . . 0.0 108.311 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -128.52 134.25 48.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.013 0.525 . . . . 0.0 109.594 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' C' ' 22' ' ' ILE . 9.1 tp -99.21 113.18 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.52 -42.85 12.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.14 -166.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.47 174.09 40.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.278 -0.963 . . . . 0.0 114.341 168.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.96 144.24 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.39 0.676 . . . . 0.0 110.35 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -140.94 100.21 3.77 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -140.03 25.24 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.397 -169.182 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.59 1.76 44.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.124 0.97 . . . . 0.0 110.933 168.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 145.4 26.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.703 1.201 . . . . 0.0 110.169 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -134.97 120.01 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -80.29 115.43 19.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -112.78 139.41 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 126.011 1.724 . . . . 0.0 109.267 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 139.13 15.12 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.178 0.894 . . . . 0.0 111.765 172.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -125.29 123.79 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.207 1.003 . . . . 0.0 108.91 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -117.26 100.85 7.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.165 0.586 . . . . 0.0 110.051 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 154.23 62.72 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.243 1.017 . . . . 0.0 110.027 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.09 152.05 78.01 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.781 2.321 . . . . 0.0 111.121 172.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -65.15 -0.87 1.86 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.374 0.67 . . . . 0.0 112.663 172.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.97 -23.49 66.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.464 1.106 . . . . 0.0 111.443 169.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -121.55 147.07 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.107 0.963 . . . . 0.0 110.366 174.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 154.78 21.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.774 0.429 . . . . 0.0 111.265 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.97 130.13 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 122.956 0.502 . . . . 0.0 109.741 169.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -156.7 158.15 36.43 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.246 0.475 . . . . 0.0 112.155 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -74.44 158.03 34.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 165.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.85 -32.28 73.74 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.37 -20.57 63.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mm -95.74 -34.57 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.507 0.723 . . . . 0.0 110.753 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -51.73 -36.46 47.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.79 0.836 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -59.46 -28.9 67.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.701 0.8 . . . . 0.0 112.471 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -70.52 -37.35 74.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.348 0.659 . . . . 0.0 111.787 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.35 -19.87 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -94.38 -9.81 34.58 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.847 0.859 . . . . 0.0 112.695 173.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.74 -27.1 31.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.027 0.931 . . . . 0.0 111.927 174.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 101.33 140.17 11.09 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 124.073 0.844 . . . . 0.0 111.619 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.26 13.5 0.86 Allowed 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.907 0.883 . . . . 0.0 112.743 -169.652 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -61.66 139.51 58.28 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.459 0.704 . . . . 0.0 110.792 -174.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 51.28 75.14 0.69 Allowed Pre-proline 0 N--CA 1.454 -0.245 0 C-N-CA 124.776 1.231 . . . . 0.0 111.613 -169.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -53.76 132.56 50.0 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.764 2.976 . . . . 0.0 112.82 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 126.378 1.871 . . . . 0.0 114.942 173.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.507 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.0 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.06 111.95 21.87 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.545 1.538 . . . . 0.0 107.845 168.452 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -101.79 140.05 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.982 1.313 . . . . 0.0 109.573 -178.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -155.17 158.54 39.1 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.919 0.888 . . . . 0.0 110.406 169.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -90.46 148.0 23.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.106 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.403 ' HG3' HD11 ' D' ' 12' ' ' ILE . 4.4 mmp_? -139.04 145.34 39.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.648 0.779 . . . . 0.0 109.016 166.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -80.08 158.89 26.31 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.042 0.449 . . . . 0.0 110.163 171.58 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.42 138.32 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.457 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.37 -3.42 83.89 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.168 0.89 . . . . 0.0 113.956 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -88.98 169.2 11.73 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 1.254 . . . . 0.0 112.03 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -130.24 156.79 44.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.949 0.9 . . . . 0.0 112.151 -172.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' D' ' 6' ' ' ARG . 56.7 mt -146.62 160.57 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.657 1.983 . . . . 0.0 108.687 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -134.11 150.61 51.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.298 1.039 . . . . 0.0 112.255 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -135.14 135.27 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.115 1.366 . . . . 0.0 109.267 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 -133.61 48.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 9.97 5.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 112.325 171.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -127.85 -17.02 4.55 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.39 130.96 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.993 0.815 . . . . 0.0 110.489 -171.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -115.43 145.41 42.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.797 0.839 . . . . 0.0 109.876 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -129.2 140.44 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.955 1.302 . . . . 0.0 108.268 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -137.37 130.88 31.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -86.61 103.91 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.3 mt -78.16 -30.46 49.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.315 0.646 . . . . 0.0 110.584 -172.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.64 -173.62 40.58 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-O 120.805 0.114 . . . . 0.0 112.966 170.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.98 159.42 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.921 0.888 . . . . 0.0 110.398 168.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -141.76 77.08 1.57 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 169.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.97 -114.48 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.429 ' HB3' ' HE2' ' C' ' 7' ' ' LYS . 3.1 mp0 -88.43 -6.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.512 0.725 . . . . 0.0 110.005 172.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -74.72 149.28 39.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.136 0.493 . . . . 0.0 112.167 173.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 31.2 t -129.21 119.12 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -94.89 112.04 23.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.652 1.181 . . . . 0.0 108.386 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.41 128.2 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.379 0.672 . . . . 0.0 110.202 -168.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.37 135.55 12.77 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.81 140.54 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.985 0.914 . . . . 0.0 108.811 171.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -137.97 90.01 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.339 0.656 . . . . 0.0 109.509 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.4 155.34 54.06 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 124.393 1.077 . . . . 0.0 110.02 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.89 150.84 87.18 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.185 1.923 . . . . 0.0 110.466 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -68.86 -1.42 7.19 Favored 'General case' 0 CA--C 1.526 0.025 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.55 -20.94 66.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.581 1.152 . . . . 0.0 111.587 168.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -128.12 160.01 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.261 1.024 . . . . 0.0 110.863 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.13 157.04 16.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.547 0.739 . . . . 0.0 112.675 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.23 124.67 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.869 -0.52 . . . . 0.0 109.613 168.095 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -149.0 160.63 43.13 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 111.87 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -65.66 154.15 39.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 168.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.35 -35.22 71.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.417 0.553 . . . . 0.0 112.292 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.46 -55.95 28.22 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.255 0.622 . . . . 0.0 110.94 170.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -64.15 -42.71 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 124.02 0.928 . . . . 0.0 109.993 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -49.4 -42.72 43.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.52 1.528 . . . . 0.0 112.241 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.19 -20.93 63.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.9 -50.93 12.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.98 0.809 . . . . 0.0 109.572 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.628 HD12 ' H ' ' D' ' 51' ' ' ILE . 4.8 mp -62.11 -18.78 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.137 1.375 . . . . 0.0 111.965 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -95.44 -32.5 12.87 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 171.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.03 -16.29 13.1 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -169.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.3 -8.2 0.21 Allowed Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.132 0.872 . . . . 0.0 113.51 -172.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 55.14 57.11 5.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 127.519 2.327 . . . . 0.0 112.05 169.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 50.3 p -73.97 -37.49 64.47 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.387 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.38 79.06 73.85 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 125.207 1.403 . . . . 0.0 108.341 169.242 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -53.75 -44.31 50.25 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.924 3.083 . . . . 0.0 112.746 -169.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.608 1.163 . . . . 0.0 110.497 -170.232 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.37 119.85 30.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.984 0.913 . . . . 0.0 109.634 -173.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.92 136.22 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.001 0.92 . . . . 0.0 109.737 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -132.46 163.41 28.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.765 1.626 . . . . 0.0 110.485 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -133.65 98.63 4.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 167.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.447 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.1 mmp_? -104.94 154.81 19.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.684 1.193 . . . . 0.0 109.673 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -110.2 171.59 7.36 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.05 0.841 . . . . 0.0 113.166 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.09 128.31 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.942 -169.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.94 67.98 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.245 0.926 . . . . 0.0 113.86 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -91.55 168.76 11.28 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.443 1.121 . . . . 0.0 111.077 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -132.13 159.51 38.72 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -168.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 12' ' ' ILE . . . . . 0.447 HD11 ' HG3' ' E' ' 6' ' ' ARG . 24.0 mt -143.85 156.86 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 126.739 2.016 . . . . 0.0 107.682 -175.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -137.95 149.33 46.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.564 -0.71 . . . . 0.0 112.831 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -136.62 138.65 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.905 1.282 . . . . 0.0 109.027 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.6 -134.91 49.75 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.98 10.03 6.93 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.264 1.026 . . . . 0.0 111.675 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.1 -7.72 1.36 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.56 134.19 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.79 0.723 . . . . 0.0 110.492 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -126.88 143.77 51.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.47 1.108 . . . . 0.0 110.03 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.87 138.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.057 1.343 . . . . 0.0 108.083 173.665 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -132.03 126.39 33.79 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.38 0.672 . . . . 0.0 109.204 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.8 108.34 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -72.77 -41.73 64.74 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.301 -0.874 . . . . 0.0 110.895 -169.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.82 178.78 36.93 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 123.413 0.53 . . . . 0.0 113.076 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -106.77 158.89 6.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.364 0.666 . . . . 0.0 112.267 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.12 90.88 1.79 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.854 1.262 . . . . 0.0 109.361 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.07 -113.46 5.41 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 62.4 mm-40 -93.94 -20.37 20.06 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 117.252 0.526 . . . . 0.0 111.749 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.28 139.0 49.83 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.238 0.542 . . . . 0.0 109.677 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 114.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -83.43 125.79 32.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.6 130.95 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.418 0.687 . . . . 0.0 109.399 -169.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.9 139.74 14.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.061 0.838 . . . . 0.0 111.334 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.39 133.41 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.929 1.291 . . . . 0.0 109.08 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -134.29 99.0 4.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.612 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.09 155.58 78.93 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.657 1.183 . . . . 0.0 110.533 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.12 158.24 35.64 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.669 2.246 . . . . 0.0 111.811 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -68.31 -0.87 5.27 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.557 0.743 . . . . 0.0 112.637 169.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.03 -25.03 67.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.109 1.364 . . . . 0.0 111.944 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.61 157.6 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.1 0.96 . . . . 0.0 111.026 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.42 20.49 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.714 172.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.06 124.91 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.873 0.469 . . . . 0.0 110.261 168.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -149.7 166.18 30.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.271 1.028 . . . . 0.0 110.206 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -78.74 161.61 26.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.685 -0.635 . . . . 0.0 109.95 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.09 -22.81 61.41 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.28 -49.54 69.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.143 0.977 . . . . 0.0 111.654 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.98 -33.17 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.591 0.756 . . . . 0.0 109.929 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.406 0.683 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -69.17 -26.53 64.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.219 0.608 . . . . 0.0 112.571 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.36 -23.03 61.83 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.364 0.666 . . . . 0.0 110.716 176.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.31 -46.99 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.153 0.981 . . . . 0.0 109.635 -171.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -71.28 3.04 3.97 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -24.46 65.27 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.853 0.861 . . . . 0.0 112.389 169.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.73 32.53 0.04 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.521 -0.6 . . . . 0.0 113.747 169.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -158.05 -179.2 7.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.012 0.906 . . . . 0.0 111.497 -169.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 5.6 m -134.46 -37.68 0.85 Allowed 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.166 0.586 . . . . 0.0 111.665 171.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 57' ' ' ALA . . . . . 0.712 ' H ' ' CD ' ' E' ' 58' ' ' PRO . . . -142.54 -25.48 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 125.292 1.437 . . . . 0.0 114.133 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 58' ' ' PRO . . . . . 0.712 ' CD ' ' H ' ' E' ' 57' ' ' ALA . 37.2 Cg_exo -72.39 -177.53 2.78 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 121.565 1.51 . . . . 0.0 114.009 -178.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t0 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 124.662 1.185 . . . . 0.0 112.494 -178.083 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.755 -0.091 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.17 148.81 23.71 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.025 0.53 . . . . 0.0 111.153 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.2 127.05 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 171.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.86 155.87 28.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.594 1.558 . . . . 0.0 109.305 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.13 103.39 8.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -116.49 126.24 53.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.538 -170.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -88.73 165.86 14.44 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 119.117 0.871 . . . . 0.0 112.787 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.4 m -58.06 135.7 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.287 -171.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.97 -9.31 72.99 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.348 0.975 . . . . 0.0 113.873 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -96.44 172.32 8.01 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.804 1.302 . . . . 0.0 112.27 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 64.4 m -131.24 160.43 34.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -169.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -138.65 156.26 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.154 2.182 . . . . 0.0 107.852 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -131.74 149.36 52.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.382 -0.824 . . . . 0.0 112.431 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.63 141.47 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.599 1.16 . . . . 0.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -139.14 47.94 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -122.24 10.03 9.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.087 0.955 . . . . 0.0 112.452 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -134.61 -20.71 1.78 Allowed 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -96.97 136.81 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 119.267 0.939 . . . . 0.0 110.755 -170.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m -125.35 142.05 51.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.009 0.924 . . . . 0.0 110.392 173.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.81 140.25 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.737 1.615 . . . . 0.0 108.169 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -136.26 128.1 29.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.054 0.542 . . . . 0.0 109.839 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -81.34 111.34 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.0 -28.08 26.0 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.416 0.686 . . . . 0.0 111.217 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.15 -172.35 35.84 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.076 0.369 . . . . 0.0 113.485 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.71 159.56 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.281 0.632 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -149.16 91.19 1.81 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.927 1.291 . . . . 0.0 109.229 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.49 -103.01 1.45 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -101.94 -16.74 16.42 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 117.417 0.609 . . . . 0.0 111.992 170.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.54 145.8 47.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.647 0.737 . . . . 0.0 109.485 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -140.57 106.88 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -84.63 127.47 34.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.632 0.773 . . . . 0.0 109.013 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.43 140.58 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.964 0.906 . . . . 0.0 110.352 -168.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 138.63 14.93 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.096 0.855 . . . . 0.0 111.014 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.29 138.83 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.178 0.991 . . . . 0.0 109.79 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -132.2 106.44 7.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.136 0.974 . . . . 0.0 109.346 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.35 157.97 76.61 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 111.324 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -65.61 162.71 33.05 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.051 2.501 . . . . 0.0 112.135 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -70.28 -7.73 44.72 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.467 0.707 . . . . 0.0 112.611 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.7 -18.13 64.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.853 1.261 . . . . 0.0 112.395 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -130.01 162.85 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 111.148 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.55 164.28 12.14 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.546 0.739 . . . . 0.0 111.34 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.35 129.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.522 0.729 . . . . 0.0 110.111 170.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -151.41 174.13 13.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.271 1.029 . . . . 0.0 110.217 175.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -74.33 159.57 32.22 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -62.43 -21.96 65.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.33 -50.74 72.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.776 0.83 . . . . 0.0 111.304 172.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -79.68 -31.82 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.091 0.556 . . . . 0.0 109.586 -171.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 48' ' ' TYR . . . . . 0.451 ' HA ' HG12 ' F' ' 51' ' ' ILE . 70.3 t80 -53.2 -35.22 59.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.991 0.916 . . . . 0.0 112.896 177.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.59 -22.04 66.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.101 0.56 . . . . 0.0 112.351 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -82.46 -34.6 28.06 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.183 0.593 . . . . 0.0 110.706 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.451 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.2 mm -58.35 -49.14 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 124.02 0.928 . . . . 0.0 110.118 172.185 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -85.04 3.07 40.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.479 1.112 . . . . 0.0 112.886 -171.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -13.82 61.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 174.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.86 50.81 0.13 Allowed Glycine 0 C--N 1.338 0.665 0 CA-C-O 119.631 -0.539 . . . . 0.0 112.913 170.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.473 HD12 ' N ' ' F' ' 56' ' ' THR . 0.9 OUTLIER -154.04 -51.92 0.1 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -169.716 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 56' ' ' THR . . . . . 0.473 ' N ' HD12 ' F' ' 55' ' ' LEU . 1.3 m 50.26 22.9 1.06 Allowed 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.184 1.394 . . . . 0.0 113.564 -168.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.69 124.89 2.23 Favored Pre-proline 0 N--CA 1.452 -0.342 0 C-N-CA 124.032 0.933 . . . . 0.0 109.841 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -51.41 134.3 44.97 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.963 2.442 . . . . 0.0 112.367 172.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.53 0.185 0 C-N-CA 124.523 1.129 . . . . 0.0 113.808 172.436 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 1 O4'-C1'-N19 112.241 4.041 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.572 3.372 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 112.865 4.665 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.967 3.767 . 0.267 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 O4'-C1'-N19 111.329 3.129 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-O4' 114.57 3.836 . 0.03 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 2 C5'-C4'-C3' 106.967 -5.689 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 111.661 3.461 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 O5'-C5'-C4' 113.92 2.657 . 0.028 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C3'-C2'-C1' 104.783 3.648 . 0.256 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 O4'-C1'-N19 111.509 3.309 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 C5'-C4'-C3' 111.279 -2.814 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 C5'-C4'-C3' 108.797 -4.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 100.18 -2.52 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.894 3.694 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 0 O4'-C1'-N19 111.639 3.439 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.526 3.326 . 0.807 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 112.314 4.114 . 0.741 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 O4'-C1'-N19 110.804 2.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 O4'-C1'-N19 111.696 3.496 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 O4'-C1'-N19 112.542 4.342 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 O4'-C1'-N19 110.789 2.589 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 1 O4'-C1'-N19 112.903 4.703 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 O4'-C1'-N19 112.095 3.895 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 N19-C1'-C2' 108.364 -3.148 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C1'-N19 110.963 2.763 . 0.428 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.464 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C5'-C4'-C3' 111.539 -2.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.343 0 C5'-C4'-C3' 112.014 -2.324 . 0.037 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 111.293 -2.805 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.53 3.33 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C4'-C3'-C2' 99.995 -2.705 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-N19 111.187 2.987 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 112.444 4.244 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C4'-C3'-C2' 98.965 -3.735 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 99.596 -3.104 . 0.188 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.648 3.448 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 1 O4'-C1'-N19 112.588 4.388 . 0.161 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 C5'-C4'-C3' 110.628 -3.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C3'-C2'-C1' 103.771 2.523 . 0.325 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 1 O4'-C1'-N19 113.055 4.855 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 C5'-C4'-C3' 109.589 -3.94 . 0.043 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 2 C3'-C2'-C1' 106.167 5.186 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 1 O4'-C1'-N19 113.793 5.593 . 0.061 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 O4'-C1'-N19 112.774 4.574 . 0.136 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.667 4.467 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C4'-C3'-C2' 99.207 -3.493 . 0.278 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 O4'-C1'-N19 112.537 4.337 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 0 C3'-C2'-C1' 105.005 3.895 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 1 C5'-C4'-C3' 108.179 -4.881 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.186 2.986 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 C5'-C4'-C3' 110.528 -3.315 . 0.382 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.441 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.411 -3.518 1 O5'-C5'-C4' 117.08 4.914 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C5'-C4'-C3' 111.886 -2.409 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 O4'-C1'-N19 112.259 4.059 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 C4'-C3'-C2' 100.205 -2.495 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 O4'-C1'-N19 111.015 2.815 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 O4'-C1'-N19 110.387 2.187 . 0.274 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 112.125 3.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 112.138 3.938 . 0.067 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O4'-C1'-N19 111.237 3.037 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.473 3.273 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 O4'-C1'-N19 111.498 3.298 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 C5'-C4'-O4' 116.578 5.27 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 P-O3'-C3' 122.8 2.583 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.098 2.898 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 0 C5'-C4'-C3' 111.342 -2.772 . 0.164 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 2 C5'-C4'-C3' 105.362 -6.759 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 1 P-O3'-C3' 125.533 4.861 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.001 2.801 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 1 O4'-C1'-N19 112.512 4.312 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 111.14 2.94 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 110.99 2.79 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.81 115.75 31.06 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.456 0.702 . . . . 0.0 109.961 -175.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -101.24 137.76 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.925 0.89 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.54 161.34 34.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.386 1.075 . . . . 0.0 109.826 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.9 m -128.02 100.94 6.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -120.03 147.17 45.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.824 0.45 . . . . 0.0 110.776 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -104.35 160.66 14.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.834 0.853 . . . . 0.0 109.702 -170.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.495 HG13 ' HA2' ' A' ' 24' ' ' GLY . 60.9 t -47.66 128.9 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.726 0.41 . . . . 0.0 111.297 -178.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.62 -6.49 70.7 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.599 1.095 . . . . 0.0 114.002 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -91.14 172.09 8.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.529 1.164 . . . . 0.0 112.165 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -140.11 158.07 44.62 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -170.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.49 159.58 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 126.466 1.906 . . . . 0.0 109.561 173.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -131.21 139.13 49.64 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.372 1.069 . . . . 0.0 110.847 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.5 mt -132.57 131.07 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.449 1.099 . . . . 0.0 109.599 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.9 -125.24 18.98 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.92 -4.9 4.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.358 1.063 . . . . 0.0 111.762 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -138.1 -8.93 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -168.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -111.33 138.01 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 119.09 0.859 . . . . 0.0 110.489 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -139.77 142.16 36.77 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.215 1.006 . . . . 0.0 109.383 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -126.07 148.1 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.286 1.034 . . . . 0.0 109.083 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -138.89 138.65 37.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.738 0.815 . . . . 0.0 110.264 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -93.32 100.52 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.56 -26.73 60.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 0.0 110.6 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.495 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 171.7 -170.88 43.74 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.294 0.473 . . . . 0.0 113.236 169.817 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.83 157.04 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.503 0.721 . . . . 0.0 111.34 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -141.88 61.18 1.46 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.911 1.284 . . . . 0.0 109.622 -174.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.23 -121.04 6.85 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.41 -4.09 49.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.45 0.7 . . . . 0.0 111.813 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.87 159.18 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.836 0.827 . . . . 0.0 111.928 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -140.79 129.7 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 126.487 1.915 . . . . 0.0 108.184 -169.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -101.88 101.87 12.37 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.8 mt -108.88 139.97 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.583 1.153 . . . . 0.0 109.984 -170.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.84 142.29 13.58 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 123.43 0.538 . . . . 0.0 112.072 173.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.91 136.46 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.788 1.235 . . . . 0.0 108.987 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.57 82.43 1.88 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.722 1.209 . . . . 0.0 109.247 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.91 153.4 51.0 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.107 0.963 . . . . 0.0 110.407 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.26 157.92 41.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.657 2.238 . . . . 0.0 110.683 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -67.97 -1.3 5.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -31.02 71.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.821 0.849 . . . . 0.0 111.426 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.97 144.07 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.773 0.797 . . . . 0.0 111.248 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.03 143.02 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.667 0.787 . . . . 0.0 110.611 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -132.91 128.32 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -149.82 150.63 32.27 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.156 0.582 . . . . 0.0 110.915 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.61 159.29 27.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.585 0.354 . . . . 0.0 111.189 169.663 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -73.32 -24.01 60.33 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.097 -0.377 . . . . 0.0 111.89 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.52 -20.37 59.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.629 1.172 . . . . 0.0 112.671 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.03 -29.19 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.038 0.935 . . . . 0.0 111.391 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -61.02 -31.39 71.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 119.14 0.882 . . . . 0.0 110.719 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -76.56 -14.66 59.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.388 0.675 . . . . 0.0 112.043 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -81.42 -34.29 31.65 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.038 0.935 . . . . 0.0 110.944 169.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.6 -52.37 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 171.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 20.8 mm100 -83.96 5.08 26.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.704 0.802 . . . . 0.0 112.519 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -31.48 68.66 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.366 0.266 . . . . 0.0 111.037 169.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.51 18.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.646 0 CA-C-O 119.098 -0.834 . . . . 0.0 113.272 172.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 56' ' ' THR . 16.2 mt -94.24 90.63 6.4 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 118.851 1.325 . . . . 0.0 108.121 -177.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER 163.05 169.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.089 0 C-N-CA 127.445 2.298 . . . . 0.0 107.811 -169.521 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.73 151.24 37.34 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 122.874 0.469 . . . . 0.0 110.113 167.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -75.11 -41.87 0.58 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.792 2.328 . . . . 0.0 112.228 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.454 -0.257 0 C-N-CA 122.829 0.452 . . . . 0.0 111.835 -169.889 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 tpp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 119.749 -0.167 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -123.98 112.17 16.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.329 1.452 . . . . 0.0 108.101 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.426 HD11 " H5'" ' G' ' 52' ' ' ' A' . 5.2 mp -102.59 142.39 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.446 0.698 . . . . 0.0 111.486 -169.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.59 148.55 47.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.797 1.639 . . . . 0.0 110.311 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.3 m -107.44 117.6 34.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.56 154.79 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.559 1.544 . . . . 0.0 110.029 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -113.65 160.06 19.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.254 0.934 . . . . 0.0 110.617 166.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -59.18 129.57 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 121.455 0.645 . . . . 0.0 111.125 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.13 -5.64 63.38 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-O 118.902 -0.943 . . . . 0.0 115.139 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.18 169.28 14.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.381 1.591 . . . . 0.0 111.644 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -138.84 156.25 47.47 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.743 0.817 . . . . 0.0 112.17 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mm -131.59 152.97 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 126.41 1.884 . . . . 0.0 108.988 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -128.79 141.52 51.28 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.571 1.148 . . . . 0.0 110.481 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -130.68 130.74 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.241 1.016 . . . . 0.0 109.624 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.0 -133.55 52.66 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.58 4.57 8.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.682 0.793 . . . . 0.0 112.249 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.54 -17.79 7.99 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.603 0.761 . . . . 0.0 113.031 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.49 135.69 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.743 0.701 . . . . 0.0 110.611 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.0 m -131.71 147.7 52.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.425 1.09 . . . . 0.0 109.979 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -128.09 143.38 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.755 1.622 . . . . 0.0 108.103 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -135.68 130.69 34.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.115 0.566 . . . . 0.0 110.041 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.7 95.19 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.24 -34.28 78.0 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.936 -0.478 . . . . 0.0 110.983 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.1 179.37 37.57 Favored Glycine 0 C--N 1.335 0.526 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 173.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.27 148.1 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-O 121.062 0.458 . . . . 0.0 110.081 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -124.54 77.63 1.6 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.047 0.939 . . . . 0.0 108.474 170.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.02 -118.49 4.72 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -175.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.09 10.25 41.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.201 -0.588 . . . . 0.0 111.144 173.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.96 155.08 17.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.164 0.986 . . . . 0.0 109.959 169.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.98 113.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.065 0.546 . . . . 0.0 109.569 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.97 118.91 24.84 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.126 1.371 . . . . 0.0 109.612 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -129.29 131.28 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.258 1.023 . . . . 0.0 109.694 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.93 139.49 14.5 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 171.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -122.87 131.38 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.175 0.99 . . . . 0.0 109.036 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -132.56 75.17 1.61 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.332 -168.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.77 158.13 50.51 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.702 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.05 156.67 43.22 Favored 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 122.024 1.816 . . . . 0.0 111.38 169.607 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.09 -0.85 4.94 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.231 1.012 . . . . 0.0 112.114 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.84 -27.41 68.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.399 1.48 . . . . 0.0 111.184 171.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -111.83 144.08 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.695 1.198 . . . . 0.0 109.98 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.43 142.65 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.599 0.714 . . . . 0.0 111.014 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.69 96.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.032 -166.191 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.453 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -144.93 167.19 23.23 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.073 0.949 . . . . 0.0 110.558 178.284 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -72.86 162.26 29.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 169.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.98 -41.67 83.47 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.65 0.78 . . . . 0.0 112.495 -171.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -72.22 -3.37 23.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 121.335 -0.853 . . . . 0.0 113.279 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.415 ' CG2' " H1'" ' G' ' 26' ' ' ' A' . 14.8 mm -101.98 -50.13 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 123.708 0.803 . . . . 0.0 109.712 169.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -49.3 -38.84 28.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.444 1.498 . . . . 0.0 112.264 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.23 -23.22 62.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -76.55 -43.57 38.53 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.9 0.773 . . . . 0.0 109.899 170.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.416 ' HA ' HD12 ' B' ' 55' ' ' LEU . 98.3 mt -63.78 -37.73 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.459 0.704 . . . . 0.0 109.43 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 4.4 mm100 -81.09 1.14 32.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 175.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.25 -19.66 50.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.384 0.674 . . . . 0.0 111.764 169.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.2 50.24 0.09 OUTLIER Glycine 0 C--N 1.338 0.676 0 CA-C-O 119.589 -0.562 . . . . 0.0 114.049 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -168.95 -177.41 2.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.61 0.705 . . . . 0.0 112.387 -168.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 57.2 p -128.18 -172.2 2.63 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.339 1.456 . . . . 0.0 109.556 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.4 124.02 4.55 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.761 0.825 . . . . 0.0 111.312 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.69 171.43 5.77 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.844 2.362 . . . . 0.0 114.461 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.453 -0.281 0 C-N-CA 124.753 1.221 . . . . 0.0 113.078 -176.773 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.37 107.38 15.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 167.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.24 131.97 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.765 0.826 . . . . 0.0 109.069 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.75 138.97 53.45 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.04 0.936 . . . . 0.0 109.416 169.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -102.15 145.31 29.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.588 0.708 . . . . 0.0 111.196 169.279 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -138.89 145.27 39.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.532 1.133 . . . . 0.0 109.157 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -78.0 162.55 26.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 167.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.67 133.25 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 O-C-N 121.819 -0.551 . . . . 0.0 111.21 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.97 -2.19 87.0 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.782 1.182 . . . . 0.0 114.091 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.57 169.11 12.45 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.493 1.646 . . . . 0.0 111.853 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -129.23 158.2 39.7 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -168.628 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mt -136.77 159.01 37.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.745 2.418 . . . . 0.0 108.242 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -134.95 149.54 50.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.243 1.017 . . . . 0.0 112.051 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.27 140.24 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.643 1.177 . . . . 0.0 109.095 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -137.3 49.97 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -124.15 9.99 8.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.968 0.907 . . . . 0.0 111.442 169.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.41 -10.82 5.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.054 0.942 . . . . 0.0 112.824 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.65 133.34 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.678 0.672 . . . . 0.0 110.966 -173.052 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -120.01 148.0 44.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.596 1.158 . . . . 0.0 109.496 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.1 141.93 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.375 1.47 . . . . 0.0 107.986 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -134.52 127.82 32.13 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.95 -0.469 . . . . 0.0 110.144 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -85.89 110.1 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 168.784 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.47 HD13 " H1'" ' G' ' 67' ' ' ' C' . 9.8 mt -79.79 -46.55 16.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.71 -0.619 . . . . 0.0 110.08 -171.089 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.6 178.75 48.16 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.221 -0.514 . . . . 0.0 113.539 169.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.76 152.85 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 121.395 0.617 . . . . 0.0 111.272 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.8 m -149.9 110.94 4.36 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 168.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.44 -142.01 29.58 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.463 -0.875 . . . . 0.0 110.983 -168.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -85.13 3.32 39.58 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.704 0.802 . . . . 0.0 111.331 167.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.65 139.24 30.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.174 1.39 . . . . 0.0 110.535 -175.271 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' C' ' 22' ' ' ILE . 39.5 t -125.19 118.29 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -81.81 118.45 22.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 mt -124.91 129.37 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.137 1.375 . . . . 0.0 109.823 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.59 15.13 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.483 1.992 . . . . 0.0 112.16 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -125.9 123.38 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.327 1.051 . . . . 0.0 109.552 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -116.24 99.5 7.26 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.751 0.82 . . . . 0.0 109.982 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.64 155.26 80.68 Favored Pre-proline 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 109.641 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.07 150.22 87.39 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.437 2.092 . . . . 0.0 110.715 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -66.33 -1.04 3.01 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.424 0.689 . . . . 0.0 112.439 173.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -25.29 67.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.627 1.171 . . . . 0.0 111.388 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.89 152.04 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.24 1.016 . . . . 0.0 110.672 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.11 153.11 21.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.48 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.78 131.43 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 168.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -153.16 154.18 34.24 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 122.694 0.398 . . . . 0.0 111.838 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -70.37 156.64 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 166.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -59.97 -34.53 73.41 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -168.182 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.55 -19.92 62.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.67 -31.41 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.777 0.831 . . . . 0.0 110.881 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -54.5 -41.68 69.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.648 -0.658 . . . . 0.0 111.815 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -58.35 -32.81 68.89 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.539 0.736 . . . . 0.0 112.346 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -71.84 -35.59 69.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.943 0.897 . . . . 0.0 111.548 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -70.12 -20.58 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 118.349 0.522 . . . . 0.0 110.722 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -89.46 -3.99 58.16 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.48 -17.12 27.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.641 0.777 . . . . 0.0 113.083 -174.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.78 130.61 4.34 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -102.04 -11.95 18.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.538 0.735 . . . . 0.0 112.274 -168.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m 55.18 34.02 21.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.893 1.277 . . . . 0.0 112.007 -172.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.35 83.63 5.93 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 124.006 0.923 . . . . 0.0 110.336 174.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.23 152.5 79.45 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.236 2.624 . . . . 0.0 112.623 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.531 0.229 0 C-N-CA 125.409 1.484 . . . . 0.0 113.443 171.967 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.442 ' HG2' HD11 ' D' ' 3' ' ' ILE 0.368 1.3 tpp . . . . . 0 N--CA 1.475 0.783 1 N-CA-C 98.625 -4.583 . . . . 0.0 98.625 . . . . . . . . . 3 2 . 1 . 016 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -105.96 100.26 9.82 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -167.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.442 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -91.32 135.9 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.445 1.098 . . . . 0.0 109.556 -175.25 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -136.23 162.8 31.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.016 1.326 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -112.72 113.94 26.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 165.385 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.04 144.6 43.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.744 0.418 . . . . 0.0 110.102 168.459 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -83.26 162.99 20.99 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 109.89 173.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.7 m -55.81 136.49 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.09 83.61 Favored Glycine 0 CA--C 1.526 0.776 0 CA-C-O 119.154 -0.803 . . . . 0.0 114.339 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -98.93 170.69 8.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.641 1.22 . . . . 0.0 111.556 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -132.99 160.02 38.34 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mt -142.0 165.04 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 126.651 1.98 . . . . 0.0 108.27 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 56.4 m-80 -141.81 149.23 40.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.897 0.879 . . . . 0.0 112.267 -172.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -136.11 136.82 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.953 1.301 . . . . 0.0 108.99 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.34 -135.7 51.64 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -125.28 9.81 7.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.926 0.89 . . . . 0.0 111.777 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -132.27 -11.54 3.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 136.59 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.843 0.747 . . . . 0.0 110.703 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -129.11 145.17 51.35 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.769 1.228 . . . . 0.0 109.786 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -121.56 141.35 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.188 1.395 . . . . 0.0 108.111 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 55.7 m -136.01 120.85 18.57 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.433 0.693 . . . . 0.0 109.364 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -74.22 105.37 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.66 -31.69 62.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.87 -179.7 39.37 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 112.801 -0.119 . . . . 0.0 112.801 170.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -109.48 158.78 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 122.866 0.466 . . . . 0.0 110.929 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -142.83 74.78 1.46 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.685 1.194 . . . . 0.0 108.722 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.51 -117.19 4.4 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -82.46 -19.24 39.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.024 0.929 . . . . 0.0 110.629 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 29' ' ' GLN . . . . . 0.662 ' NE2' ' H41' ' G' ' 4' ' ' ' C' . 2.0 mm100 -74.22 138.15 43.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.085 0.469 . . . . 0.0 110.498 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.75 118.41 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -95.78 109.29 21.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.574 1.15 . . . . 0.0 108.832 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.15 119.84 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.531 0.732 . . . . 0.0 110.11 -169.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.4 131.66 10.73 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -120.61 140.17 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.57 154.69 47.86 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 124.581 1.152 . . . . 0.0 108.705 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -55.85 143.31 81.93 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 121.585 1.524 . . . . 0.0 109.536 169.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -66.6 -7.99 24.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.377 0.608 . . . . 0.0 112.582 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.97 -20.74 66.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.025 1.73 . . . . 0.0 112.79 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -121.55 160.05 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.081 0.952 . . . . 0.0 110.464 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.51 157.01 16.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.24 128.44 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.594 0.758 . . . . 0.0 109.426 168.335 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 43' ' ' HIS . . . . . 0.416 ' HD1' ' H1 ' ' G' ' 8' ' ' ' G' . 12.1 m-70 -152.81 173.98 14.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.671 0.789 . . . . 0.0 111.689 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -72.68 161.25 31.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 167.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.53 -41.47 97.37 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.53 -0.731 . . . . 0.0 111.618 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.41 -43.24 44.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.435 1.094 . . . . 0.0 112.289 171.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.691 HD12 ' C2 ' ' G' ' 7' ' ' ' C' . 26.1 mm -84.53 -42.04 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.618 1.167 . . . . 0.0 111.622 -168.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -47.76 -36.5 11.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.022 1.329 . . . . 0.0 112.195 -177.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.62 -26.59 65.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.084 1.353 . . . . 0.0 112.998 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -80.1 -48.08 13.8 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.885 0.766 . . . . 0.0 110.998 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.711 HD12 ' H ' ' D' ' 51' ' ' ILE . 4.8 mp -61.57 -18.84 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.824 1.649 . . . . 0.0 111.42 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -104.4 -4.31 22.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.97 -45.12 3.5 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.374 1.07 . . . . 0.0 113.38 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.73 -4.01 0.03 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 115.048 0.779 . . . . 0.0 115.048 -173.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 75.43 144.91 0.08 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 127.582 2.353 . . . . 0.0 113.041 167.467 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 3.3 p -137.26 -30.93 0.83 Allowed 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -169.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.96 99.54 8.22 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 123.333 0.653 . . . . 0.0 109.88 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -66.21 175.83 4.51 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.997 2.465 . . . . 0.0 114.134 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.205 176.441 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 119.736 -0.174 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -136.94 119.86 16.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.515 0.726 . . . . 0.0 109.498 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 mm -102.15 140.14 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.968 0.907 . . . . 0.0 110.397 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.3 161.38 36.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.206 1.403 . . . . 0.0 110.575 -177.184 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 127.74 35.92 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 168.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -135.69 126.86 28.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.155 0.982 . . . . 0.0 110.126 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -89.63 164.39 14.76 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.484 1.038 . . . . 0.0 112.207 173.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -56.6 140.19 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.903 -173.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.4 -6.3 83.73 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.015 0.817 . . . . 0.0 114.223 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.57 177.32 5.85 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.782 1.291 . . . . 0.0 111.643 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 22.7 m -139.14 157.52 45.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.19 150.36 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 126.742 2.017 . . . . 0.0 108.366 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -125.86 150.29 47.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.48 0.657 . . . . 0.0 112.394 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 51.1 mt -135.47 134.08 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.793 1.237 . . . . 0.0 109.259 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.06 -134.89 52.26 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -174.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.87 10.09 5.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.223 1.009 . . . . 0.0 112.146 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -126.28 -12.02 6.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.21 132.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 119.082 0.855 . . . . 0.0 110.909 -171.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 17.1 m -125.55 143.46 51.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.292 1.037 . . . . 0.0 110.188 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -122.51 136.88 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.219 1.408 . . . . 0.0 108.388 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 21.3 m -132.38 123.55 26.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.203 0.601 . . . . 0.0 109.828 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 22' ' ' ILE . . . . . 0.416 HG22 ' H ' ' E' ' 22' ' ' ILE . 2.0 tp -81.0 99.78 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 175.068 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.86 -30.04 68.47 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.782 0.433 . . . . 0.0 110.724 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.4 -178.24 32.14 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.972 0.796 . . . . 0.0 112.929 169.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -103.59 152.77 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.134 0.574 . . . . 0.0 111.188 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -144.21 90.03 2.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.485 1.114 . . . . 0.0 108.978 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -128.25 32.48 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -169.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -81.65 -21.17 38.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.505 0.652 . . . . 0.0 112.005 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.11 149.15 49.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.302 0.641 . . . . 0.0 109.845 173.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.83 121.41 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -93.66 123.07 36.74 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.081 0.552 . . . . 0.0 110.0 -175.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.51 131.25 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.277 0.631 . . . . 0.0 110.644 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.35 143.22 16.4 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.35 0.976 . . . . 0.0 111.381 170.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -133.49 128.23 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.868 1.267 . . . . 0.0 108.606 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -130.42 98.98 4.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -170.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.11 155.51 74.35 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.614 1.166 . . . . 0.0 110.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.41 158.48 35.84 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.833 2.356 . . . . 0.0 111.933 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -68.58 -1.04 5.88 Favored 'General case' 0 N--CA 1.458 -0.043 0 C-N-CA 123.376 0.67 . . . . 0.0 112.646 169.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.85 -23.59 67.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.72 1.208 . . . . 0.0 111.432 169.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.11 153.67 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.424 1.089 . . . . 0.0 110.327 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.02 158.67 17.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.466 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.09 129.85 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 121.942 -0.474 . . . . 0.0 110.747 169.689 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -152.69 167.65 28.25 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.746 0.818 . . . . 0.0 111.547 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtm105 -71.69 159.74 33.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 167.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -18.98 65.67 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -43.63 91.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.854 0.862 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.8 -37.92 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.342 0.657 . . . . 0.0 109.813 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.42 -36.24 53.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.58 0.752 . . . . 0.0 112.446 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.44 -21.88 62.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.969 0.908 . . . . 0.0 112.71 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.73 -47.58 45.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.194 0.598 . . . . 0.0 109.478 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.455 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.7 mp -63.31 -22.9 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 125.145 1.378 . . . . 0.0 110.586 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 19.7 mm100 -85.3 -42.34 14.71 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 169.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.26 -31.57 9.03 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -166.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.27 -19.58 1.71 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.961 0.791 . . . . 0.0 113.106 -169.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.418 ' N ' HD13 ' E' ' 55' ' ' LEU . 0.2 OUTLIER 59.76 -169.08 0.15 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 127.556 2.343 . . . . 0.0 112.301 169.843 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 31.7 p -78.7 -18.02 54.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.59 127.34 10.98 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 124.308 1.043 . . . . 0.0 109.463 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -56.08 -42.9 61.73 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.373 2.715 . . . . 0.0 113.299 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 123.274 0.63 . . . . 0.0 110.891 -169.482 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 110.827 -0.064 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.3 150.01 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.844 0.458 . . . . 0.0 111.345 173.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.19 132.37 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 169.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.66 157.63 41.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.696 1.198 . . . . 0.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -132.78 96.95 3.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.741 0.246 . . . . 0.0 110.378 169.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 160.86 24.46 Favored 'General case' 0 N--CA 1.46 0.05 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -102.51 174.52 5.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -169.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -59.74 137.96 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.053 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -3.84 85.31 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 119.27 -0.739 . . . . 0.0 114.471 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.21 179.42 6.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.776 1.288 . . . . 0.0 111.883 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -144.66 155.87 43.81 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.035 0.934 . . . . 0.0 112.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mt -135.31 155.76 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 125.939 1.696 . . . . 0.0 108.017 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -131.46 146.03 52.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.586 -0.696 . . . . 0.0 111.636 -172.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.68 140.81 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.592 1.157 . . . . 0.0 109.225 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.75 -135.5 51.9 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -127.18 10.08 6.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.154 0.982 . . . . 0.0 112.246 170.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -130.27 -19.73 3.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.61 137.27 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 119.118 0.872 . . . . 0.0 110.767 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -136.24 142.66 44.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.35 1.06 . . . . 0.0 110.541 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -116.3 142.21 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.715 1.606 . . . . 0.0 108.213 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 35.0 m -136.69 134.25 37.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.005 0.922 . . . . 0.0 109.737 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -95.29 113.03 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.6 -28.45 37.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.538 0.335 . . . . 0.0 110.535 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.56 -169.2 32.26 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.017 0.342 . . . . 0.0 113.315 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.91 159.96 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.32 0.648 . . . . 0.0 111.909 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -148.88 96.9 2.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.426 1.09 . . . . 0.0 109.187 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.64 -102.96 1.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -102.34 -18.7 15.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.071 0.548 . . . . 0.0 112.1 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.88 144.67 47.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.104 0.562 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.96 112.34 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -87.76 125.49 34.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.67 130.51 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.164 0.986 . . . . 0.0 109.996 -168.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.58 139.12 14.27 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 169.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -126.01 136.35 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.952 0.901 . . . . 0.0 108.814 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -129.49 107.9 9.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.866 0.866 . . . . 0.0 109.172 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.28 158.5 72.24 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.687 0.795 . . . . 0.0 111.301 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.84 161.75 34.96 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.935 2.423 . . . . 0.0 112.186 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.27 -11.57 57.85 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.713 0.805 . . . . 0.0 112.735 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.96 -20.19 66.35 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.125 1.37 . . . . 0.0 112.711 175.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.13 163.95 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.655 0.782 . . . . 0.0 111.407 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.75 162.86 13.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.551 0.74 . . . . 0.0 111.579 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.04 115.36 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.251 0.62 . . . . 0.0 110.642 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -154.11 173.84 15.52 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.063 0.945 . . . . 0.0 110.936 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 30.6 ptt-85 -76.06 164.11 26.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 168.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -21.36 63.73 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -174.449 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.45 -46.58 82.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.436 0.695 . . . . 0.0 111.19 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -81.98 -30.91 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.377 0.671 . . . . 0.0 109.906 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -55.19 -37.43 67.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.49 0.716 . . . . 0.0 112.269 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.9 -23.97 64.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -76.78 -23.77 52.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.642 0.777 . . . . 0.0 111.35 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt -95.41 -35.87 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.97 1.308 . . . . 0.0 110.287 -172.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -79.31 3.05 19.28 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.705 0.802 . . . . 0.0 113.061 172.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -14.95 48.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.96 37.89 0.12 Allowed Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.472 -0.627 . . . . 0.0 113.534 169.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.0 -40.63 0.1 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -169.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 4.5 m 44.19 45.23 6.92 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.944 1.298 . . . . 0.0 112.604 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.52 126.01 3.41 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 124.146 0.978 . . . . 0.0 109.937 174.563 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -64.67 178.34 1.79 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 122.625 2.216 . . . . 0.0 113.341 174.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 N--CA 1.454 -0.258 0 C-N-CA 124.297 1.039 . . . . 0.0 112.571 176.456 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.759 3.559 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 O4'-C1'-N19 111.68 3.48 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 1 O4'-C1'-N19 113.425 5.225 . 0.38 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . 0.662 ' H41' ' NE2' ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.051 1 O4'-C1'-N19 112.28 4.08 . 0.272 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.43 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.412 0 C3'-C2'-C1' 104.524 3.36 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.43 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C5'-C4'-C3' 110.208 -3.528 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.691 ' C2 ' HD12 ' D' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.35 1 O4'-C1'-N19 114.174 5.974 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . 0.416 ' H1 ' ' HD1' ' D' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 C5'-C4'-C3' 110.398 -3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 O4'-C1'-N19 110.971 2.771 . 0.039 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 C3'-C2'-C1' 104.71 3.566 . 0.349 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 O4'-C1'-N19 111.423 3.223 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 C5'-C4'-C3' 112.236 -2.176 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 1 C5'-C4'-C3' 108.533 -4.645 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.468 -2.232 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 111.639 3.439 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 O4'-C1'-N19 111.597 3.397 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 111.788 3.588 . 0.673 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 111.057 -2.962 . 0.011 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.941 2.741 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.982 3.782 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.497 4.297 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 0 O4'-C1'-N19 110.711 2.511 . 0.179 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.819 4.619 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 112.13 3.93 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 N19-C1'-C2' 108.808 -2.87 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . 0.415 " H1'" ' CG2' ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.97 0 O4'-C1'-N19 111.294 3.094 . 0.546 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.453 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 100.403 -2.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . 0.455 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 O4'-C1'-N19 111.611 3.411 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . 0.455 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-C3' 110.945 -3.037 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 C5'-C4'-C3' 109.306 -4.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 P-O3'-C3' 125.264 4.637 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.168 2.968 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 112.541 4.341 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C4'-C3'-C2' 99.174 -3.526 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C4'-C3'-C2' 99.893 -2.807 . 0.161 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 111.499 3.299 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 C5'-C4'-C3' 110.858 -3.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 1 O4'-C1'-N19 112.634 4.434 . 0.063 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.398 0 C3'-C2'-C1' 104.382 3.202 . 0.187 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 112.889 4.689 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.401 1 C5'-C4'-C3' 108.844 -4.438 . 0.028 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 2 C3'-C2'-C1' 106.085 5.095 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 112.173 3.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.856 4.656 . 0.014 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.647 4.447 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 110.987 2.787 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 111.475 3.275 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 0 C3'-C2'-C1' 105.025 3.917 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 1 P-O3'-C3' 125.554 4.878 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 O4'-C1'-N19 112.17 3.97 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . 0.407 " C2'" H5'' ' G' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.433 2 C3'-C2'-C1' 105.467 4.408 . 0.386 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.426 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.271 1 O5'-C5'-C4' 117.436 5.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.17 1.97 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 1 O4'-C1'-N19 112.462 4.262 . 0.894 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.034 -2.666 . 0.547 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 110.865 2.665 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.81 3.678 . 0.558 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 113.268 5.068 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 1 O4'-C1'-N19 112.341 4.141 . 0.109 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 O4'-C1'-N19 111.62 3.42 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 112.041 3.841 . 0.406 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 O4'-C1'-N19 111.437 3.237 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.445 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 C5'-C4'-C3' 110.087 -3.609 . 0.743 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.445 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 99.224 -3.476 . 0.07 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.391 3.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 0 C5'-C4'-C3' 110.355 -3.43 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.47 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.329 1 C3'-C2'-C1' 96.92 -5.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O3'-P-O5' 98.833 -2.72 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-C3' 111.038 -2.975 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.743 4.543 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 O4'-C1'-N19 111.071 2.871 . 0.299 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 O4'-C1'-N19 110.734 2.534 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.29 111.88 24.06 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.683 0.793 . . . . 0.0 109.505 -176.104 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.3 134.01 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.528 0.731 . . . . 0.0 109.126 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.3 mt -129.67 158.18 40.05 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.268 1.027 . . . . 0.0 109.771 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 100.88 7.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.01 128.05 55.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.326 0.651 . . . . 0.0 110.714 -168.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -91.65 153.19 19.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.606 HG11 HG13 ' A' ' 25' ' ' VAL . 31.4 m -62.94 136.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 119.692 -0.803 . . . . 0.0 112.097 -169.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -2.19 63.41 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.489 1.043 . . . . 0.0 114.174 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -102.7 171.8 7.21 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.735 1.267 . . . . 0.0 111.714 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -137.26 149.29 47.02 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -168.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.4 mm -107.23 158.39 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.648 1.579 . . . . 0.0 109.511 169.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -132.79 134.58 44.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.552 1.141 . . . . 0.0 109.728 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -131.76 125.8 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.245 1.018 . . . . 0.0 109.659 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.91 -129.24 32.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.071 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.92 0.02 7.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.883 0.873 . . . . 0.0 112.333 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -132.15 -23.66 2.17 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -169.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.51 134.58 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.97 0.805 . . . . 0.0 110.503 -172.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -128.7 138.42 52.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.962 0.905 . . . . 0.0 109.301 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -118.31 140.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.381 1.073 . . . . 0.0 108.348 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 m -134.47 126.49 29.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.16 101.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 169.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.26 -37.62 74.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.87 -169.51 33.57 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 114.887 0.715 . . . . 0.0 114.887 166.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.606 HG13 HG11 ' A' ' 8' ' ' VAL . 14.2 m -89.2 158.76 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.6 0.76 . . . . 0.0 112.493 -169.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 m -147.26 60.89 1.17 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.82 1.248 . . . . 0.0 108.385 168.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -130.88 19.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -168.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -81.58 -8.37 59.71 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.419 0.688 . . . . 0.0 112.658 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 13.3 pt20 -98.85 134.69 41.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.575 1.179 . . . . 0.0 110.168 168.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.08 124.0 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 126.226 1.81 . . . . 0.0 108.945 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -93.96 101.9 13.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.207 0.527 . . . . 0.0 110.089 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.4 mt -108.41 135.35 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 124.952 1.301 . . . . 0.0 109.471 -176.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.02 142.67 16.19 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.892 0.758 . . . . 0.0 111.663 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.43 125.41 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.194 1.398 . . . . 0.0 108.596 177.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -106.77 82.75 1.75 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.357 1.063 . . . . 0.0 108.954 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.42 153.72 44.77 Favored Pre-proline 0 N--CA 1.453 -0.284 0 C-N-CA 124.224 1.01 . . . . 0.0 110.266 169.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.87 154.06 58.48 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.322 2.015 . . . . 0.0 110.46 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.17 -2.49 13.27 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.52 -24.62 62.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.905 0.882 . . . . 0.0 111.716 169.576 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.05 144.08 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 121.953 0.882 . . . . 0.0 111.593 172.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 143.03 28.18 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.735 0.814 . . . . 0.0 110.544 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 m -132.09 130.43 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.84 0.456 . . . . 0.0 109.928 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' CD2' HD11 ' A' ' 51' ' ' ILE . 98.0 m-70 -151.58 159.6 44.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.671 0.788 . . . . 0.0 110.379 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 162.16 19.01 Favored 'General case' 0 N--CA 1.456 -0.139 0 O-C-N 122.212 -0.305 . . . . 0.0 111.774 169.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.82 -31.58 72.88 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.535 0.734 . . . . 0.0 112.365 -173.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.31 -25.17 22.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.317 1.047 . . . . 0.0 112.652 171.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.3 -26.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.611 1.164 . . . . 0.0 110.986 -169.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.4 -31.71 72.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.553 -0.717 . . . . 0.0 110.697 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.91 -16.54 61.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -77.84 -33.21 52.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.855 0.862 . . . . 0.0 111.087 170.773 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.458 HD11 ' CD2' ' A' ' 43' ' ' HIS . 23.3 mt -64.81 -52.47 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.659 0.784 . . . . 0.0 108.997 172.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 -84.07 5.02 27.54 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.705 0.802 . . . . 0.0 112.267 -173.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.53 -29.23 67.74 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.946 0.498 . . . . 0.0 111.007 168.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.91 10.93 0.04 OUTLIER Glycine 0 CA--C 1.526 0.749 0 CA-C-O 119.207 -0.774 . . . . 0.0 113.537 170.273 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 56' ' ' THR . 21.6 mt -87.04 90.72 8.46 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.792 1.296 . . . . 0.0 108.519 -172.164 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 55' ' ' LEU . 3.0 p 177.41 -44.75 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 126.801 2.04 . . . . 0.0 107.921 -169.65 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.73 157.78 71.58 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 125.381 1.472 . . . . 0.0 111.772 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -74.14 163.88 35.6 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.441 2.761 . . . . 0.0 112.335 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.543 1.137 . . . . 0.0 112.228 178.005 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.743 -0.17 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -108.08 120.95 43.78 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 168.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.4 HD11 " H5'" ' G' ' 52' ' ' ' A' . 61.8 mt -117.52 136.6 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.751 0.42 . . . . 0.0 112.016 -166.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -138.8 139.39 38.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.677 1.191 . . . . 0.0 110.504 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.5 p -86.03 132.22 34.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 166.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.4 OUTLIER -129.86 112.99 14.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 7' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 64.7 tttt -82.58 146.45 29.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.2 129.2 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 121.216 0.531 . . . . 0.0 111.667 -168.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.57 -12.47 61.35 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.149 0.88 . . . . 0.0 114.813 -176.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -82.01 165.49 20.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.11 1.455 . . . . 0.0 111.66 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -133.7 157.23 46.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.598 0.759 . . . . 0.0 112.434 -171.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mt -136.86 157.15 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.907 1.683 . . . . 0.0 109.302 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -138.78 142.0 38.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.481 0.712 . . . . 0.0 111.058 -171.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -133.48 127.39 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.421 1.089 . . . . 0.0 109.608 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.87 -135.07 52.26 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -120.57 -2.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.725 0.81 . . . . 0.0 112.424 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.81 -18.85 11.23 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.47 134.79 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.901 0.773 . . . . 0.0 110.958 -170.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.38 149.35 52.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.689 1.196 . . . . 0.0 109.949 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.7 mm -129.15 145.12 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.0 1.72 . . . . 0.0 108.28 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -137.16 131.55 32.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.889 0.476 . . . . 0.0 110.06 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -82.46 95.19 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.46 -33.11 75.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.945 -0.472 . . . . 0.0 110.891 -175.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 -179.23 35.98 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 123.369 0.509 . . . . 0.0 112.058 171.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.48 145.28 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.223 0.535 . . . . 0.0 110.323 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -121.21 71.83 0.97 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.798 1.239 . . . . 0.0 108.0 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.36 -119.76 5.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -171.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.19 11.31 38.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 122.012 -0.699 . . . . 0.0 111.494 174.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -98.94 156.44 16.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.106 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.77 115.51 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.65 117.5 23.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.006 0.922 . . . . 0.0 109.724 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.38 129.81 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.393 1.077 . . . . 0.0 109.463 -171.686 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.83 136.12 13.01 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -120.08 130.57 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.86 0.838 . . . . 0.0 109.314 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -130.2 76.81 1.75 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.214 -168.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.73 157.13 63.73 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.85 176.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.11 158.01 36.67 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.026 1.818 . . . . 0.0 111.684 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -71.66 -0.9 11.95 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.909 0.884 . . . . 0.0 112.253 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.99 -25.32 67.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.255 1.422 . . . . 0.0 111.634 169.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -111.93 144.09 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.106 0.963 . . . . 0.0 109.986 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.9 143.08 27.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.491 0.662 . . . . 0.0 111.225 169.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.53 97.45 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.021 -166.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 163.77 34.35 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.92 0.488 . . . . 0.0 111.469 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -69.05 159.85 32.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.534 0.207 . . . . 0.0 111.209 169.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -55.01 -38.12 67.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.393 0.677 . . . . 0.0 112.568 -175.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -48.68 -50.63 32.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.346 0.521 . . . . 0.0 110.874 175.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -74.52 -47.94 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.084 1.354 . . . . 0.0 109.925 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.94 -37.5 44.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.263 1.025 . . . . 0.0 111.735 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -70.53 -22.89 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -83.82 -38.59 21.04 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.287 0.949 . . . . 0.0 110.735 170.091 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 93.8 mt -62.67 -40.9 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -80.17 4.99 15.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 173.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.43 -19.86 48.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.913 0.485 . . . . 0.0 111.272 168.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.84 47.48 0.08 OUTLIER Glycine 0 C--N 1.338 0.639 0 CA-C-O 119.438 -0.645 . . . . 0.0 114.071 169.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -176.72 2.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.92 0.86 . . . . 0.0 112.866 -168.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.9 p -125.41 178.42 5.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.461 1.504 . . . . 0.0 109.345 167.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.65 119.02 1.08 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 124.778 1.231 . . . . 0.0 112.045 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 45.9 Cg_exo -70.37 177.48 5.96 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.847 1.698 . . . . 0.0 114.959 -169.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 125.321 1.448 . . . . 0.0 113.002 -177.713 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.44 1.9 tpp . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.388 0.613 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.45 21.87 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 168.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ILE . . . . . 0.426 HG21 ' N7 ' ' G' ' 12' ' ' ' A' . 4.3 mp -84.32 130.97 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.722 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -122.95 134.98 54.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.419 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -84.12 138.0 33.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 167.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.442 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.8 ttp180 -141.22 141.16 34.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.591 0.234 . . . . 0.0 110.676 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.432 ' HE2' ' OP2' ' G' ' 4' ' ' ' C' . 19.5 ttpp -108.65 143.66 37.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.883 0.873 . . . . 0.0 108.848 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -52.04 130.95 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.98 -12.19 62.31 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.462 1.506 . . . . 0.0 114.351 -175.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -87.79 -179.1 6.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.396 1.598 . . . . 0.0 112.581 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 60.1 m -145.37 159.73 42.61 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -167.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.442 HG13 ' HD3' ' C' ' 6' ' ' ARG . 65.9 mt -135.2 159.8 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 127.655 2.382 . . . . 0.0 108.3 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -129.28 146.53 51.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.434 1.094 . . . . 0.0 111.207 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.48 141.62 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.637 1.175 . . . . 0.0 109.098 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.54 -135.81 50.11 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -170.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -123.75 10.05 8.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.907 0.883 . . . . 0.0 111.151 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.17 -8.96 3.81 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.258 1.023 . . . . 0.0 113.51 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.96 138.02 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.726 0.694 . . . . 0.0 110.95 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 16.1 m -122.65 144.07 49.36 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.699 1.2 . . . . 0.0 109.303 169.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.27 145.33 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.094 1.358 . . . . 0.0 107.854 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m -136.71 139.55 42.02 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 118.572 0.624 . . . . 0.0 110.882 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.7 tp -91.83 110.02 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.6 mt -87.84 -36.75 17.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.702 -0.623 . . . . 0.0 109.657 -172.659 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.92 175.06 39.24 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.344 -0.455 . . . . 0.0 114.019 168.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -112.75 148.41 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.383 0.673 . . . . 0.0 110.435 169.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 105.95 3.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.23 -142.04 28.78 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.814 -168.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.41 2.95 38.26 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.542 1.137 . . . . 0.0 110.668 168.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.97 143.31 26.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.774 1.63 . . . . 0.0 110.38 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.56 120.25 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.44 ' HG2' HD12 ' C' ' 23' ' ' LEU . 16.2 ttm180 -81.3 119.29 23.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 169.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 mt -117.3 130.33 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.921 1.288 . . . . 0.0 110.112 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.69 139.73 14.77 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 125.643 1.592 . . . . 0.0 111.501 171.609 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.34 137.69 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -137.98 94.22 2.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -173.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.32 153.76 69.08 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 110.803 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.18 151.58 81.24 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.936 2.424 . . . . 0.0 111.096 171.339 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -64.3 -1.04 1.46 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.554 0.741 . . . . 0.0 112.765 172.357 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.9 -22.94 66.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 111.502 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.05 146.09 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.337 1.055 . . . . 0.0 110.25 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.12 154.84 19.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.886 0.474 . . . . 0.0 111.207 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -140.19 130.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.84 0.456 . . . . 0.0 110.255 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -157.0 164.6 37.82 Favored 'General case' 0 C--N 1.337 0.035 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -69.82 150.78 46.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 165.569 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.5 -38.16 71.4 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.53 -19.32 60.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -92.74 -31.12 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 110.82 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -52.54 -43.55 65.23 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.621 -0.675 . . . . 0.0 111.454 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -62.23 -27.41 68.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.324 0.65 . . . . 0.0 112.703 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -69.07 -40.32 78.55 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.439 0.696 . . . . 0.0 111.446 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.12 -19.41 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.433 0.293 . . . . 0.0 110.357 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -96.32 2.12 52.53 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.014 0.925 . . . . 0.0 112.91 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.14 4.04 7.56 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -172.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.49 33.1 1.14 Allowed Glycine 0 CA--C 1.523 0.565 0 C-N-CA 124.152 0.882 . . . . 0.0 112.812 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.45 149.46 36.83 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 117.394 0.597 . . . . 0.0 111.222 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -153.35 -36.92 0.1 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.922 0.889 . . . . 0.0 111.206 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 57' ' ' ALA . . . . . 0.639 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -148.37 -33.66 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.276 0 C-N-CA 124.95 1.3 . . . . 0.0 112.816 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 58' ' ' PRO . . . . . 0.639 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 23.7 Cg_exo -78.72 177.3 8.88 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 CA-C-N 121.016 1.398 . . . . 0.0 114.253 -175.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 124.744 1.218 . . . . 0.0 112.97 -172.676 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.19 107.48 14.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 167.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.98 140.27 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.496 1.118 . . . . 0.0 109.623 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.91 162.0 39.65 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.519 0.728 . . . . 0.0 111.436 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -88.25 148.14 24.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 111.407 173.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -138.1 137.67 37.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.73 0.812 . . . . 0.0 109.983 169.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -85.91 155.55 20.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.254 0.479 . . . . 0.0 110.159 169.352 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -55.09 135.75 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.533 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.35 -2.59 81.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.315 0.96 . . . . 0.0 114.182 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -98.71 175.92 5.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.827 1.314 . . . . 0.0 111.931 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -133.93 161.79 33.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.293 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mt -141.83 157.25 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.171 2.189 . . . . 0.0 108.306 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.13 148.78 50.6 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.571 -0.705 . . . . 0.0 111.837 177.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -133.96 135.19 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.103 1.361 . . . . 0.0 109.545 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.86 44.0 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -124.67 1.66 8.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.883 0.873 . . . . 0.0 111.79 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -134.44 -10.77 2.47 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.41 132.15 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 118.941 0.792 . . . . 0.0 110.36 -175.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 12.2 m -120.13 147.48 44.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.759 0.824 . . . . 0.0 109.753 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -126.65 142.78 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 125.284 1.434 . . . . 0.0 108.173 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 13.3 m -138.42 128.44 25.5 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.36 102.93 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.12 -29.77 43.4 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.925 -0.484 . . . . 0.0 111.037 -169.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.17 -178.6 39.45 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 121.795 -0.241 . . . . 0.0 113.395 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -111.16 160.03 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.356 0.663 . . . . 0.0 111.394 170.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -143.73 73.25 1.38 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.11 1.364 . . . . 0.0 108.626 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.27 -116.55 4.58 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.32 -22.91 43.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.996 1.318 . . . . 0.0 110.468 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -82.99 155.69 23.83 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.552 1.141 . . . . 0.0 111.542 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -142.28 122.93 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.195 0.998 . . . . 0.0 108.412 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' ARG . . . . . 0.415 ' HD3' ' H62' ' G' ' 12' ' ' ' A' . 23.7 mtm180 -83.47 124.3 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.261 0.482 . . . . 0.0 109.884 170.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -129.78 119.83 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.842 0.857 . . . . 0.0 109.491 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.49 141.18 19.53 Favored Glycine 0 CA--C 1.523 0.531 0 C-N-CA 124.884 1.231 . . . . 0.0 110.766 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.07 136.15 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -136.19 89.86 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.187 0.595 . . . . 0.0 109.755 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 156.51 71.2 Favored Pre-proline 0 N--CA 1.45 -0.437 0 C-N-CA 124.918 1.287 . . . . 0.0 109.422 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.29 151.6 84.08 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.916 1.744 . . . . 0.0 110.009 169.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.07 -0.86 2.66 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.031 0.532 . . . . 0.0 112.343 169.708 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.9 -23.9 66.73 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.92 1.288 . . . . 0.0 111.23 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -127.34 159.63 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.632 1.173 . . . . 0.0 110.63 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.42 157.07 16.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.952 0.501 . . . . 0.0 112.266 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.6 127.85 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.955 0.502 . . . . 0.0 109.677 167.693 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -149.55 163.67 37.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.227 0.611 . . . . 0.0 111.677 175.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -63.48 158.46 20.82 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -63.06 -33.56 75.69 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.399 0.545 . . . . 0.0 112.153 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.0 -52.63 64.95 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.532 0.605 . . . . 0.0 110.798 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.417 HG23 ' C6 ' ' G' ' 7' ' ' ' C' . 6.1 mm -66.85 -44.84 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.943 -173.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -48.96 -42.56 37.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.788 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -57.76 -26.48 61.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.822 0.849 . . . . 0.0 112.926 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.81 -33.36 60.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.713 1.205 . . . . 0.0 110.841 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.663 HD12 ' N ' ' D' ' 51' ' ' ILE . 2.0 mp -83.02 -18.72 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 126.924 2.09 . . . . 0.0 109.851 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -99.11 -14.43 19.38 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 174.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.43 2.06 54.38 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.97 -1.88 7.3 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 118.726 0.694 . . . . 0.0 112.81 -170.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 79.57 138.35 0.07 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.825 2.45 . . . . 0.0 112.291 167.694 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 4.9 m -130.17 -5.5 4.38 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.463 -167.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.48 136.03 16.35 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 124.216 1.007 . . . . 0.0 108.386 167.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -64.73 -179.52 0.99 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.906 2.404 . . . . 0.0 113.107 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 N--CA 1.456 -0.149 0 C-N-CA 124.1 0.96 . . . . 0.0 112.822 178.33 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tt -104.99 140.03 38.79 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.511 1.524 . . . . 0.0 109.337 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.1 139.54 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.866 0.866 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.6 mt -134.09 165.03 26.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.579 1.552 . . . . 0.0 110.657 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 99.76 5.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 168.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -104.99 129.88 53.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.124 1.369 . . . . 0.0 111.871 -169.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -80.07 155.12 27.7 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.307 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.71 137.08 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 111.498 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.99 -4.11 83.01 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.157 -0.801 . . . . 0.0 114.319 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -94.44 178.42 5.62 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.901 1.35 . . . . 0.0 111.489 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -138.43 156.83 47.21 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -169.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.8 mt -136.12 157.6 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 126.534 1.934 . . . . 0.0 108.114 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.43 149.78 48.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.489 -0.757 . . . . 0.0 112.909 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -137.52 138.72 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.677 1.191 . . . . 0.0 109.075 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.66 -138.14 49.58 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.0 10.01 7.54 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.072 0.949 . . . . 0.0 112.446 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.26 -11.48 4.12 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.62 135.17 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 119.247 0.93 . . . . 0.0 111.194 -169.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -127.04 143.64 51.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.353 1.061 . . . . 0.0 110.229 174.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -121.23 136.38 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.358 1.463 . . . . 0.0 108.189 175.454 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -132.5 123.56 26.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.246 0.618 . . . . 0.0 109.823 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -80.97 102.37 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 175.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.5 -31.75 68.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.552 0.341 . . . . 0.0 110.69 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.68 -169.69 32.36 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.386 0.517 . . . . 0.0 113.241 170.015 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.76 160.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -149.98 98.1 2.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.592 1.557 . . . . 0.0 108.95 169.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.89 -119.82 8.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -173.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.4 -12.09 35.81 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.548 0.674 . . . . 0.0 111.416 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -83.32 141.0 32.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.822 0.82 . . . . 0.0 110.697 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.09 109.65 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -168.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -89.16 122.04 32.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.07 126.39 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.158 0.983 . . . . 0.0 110.098 -169.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.57 139.97 17.71 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.075 0.845 . . . . 0.0 111.027 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.2 mt -130.88 124.79 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.781 1.232 . . . . 0.0 108.555 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -127.77 99.02 5.38 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.5 155.89 71.67 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.648 1.179 . . . . 0.0 110.6 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.72 159.23 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.972 2.448 . . . . 0.0 112.088 171.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -68.74 -0.9 5.9 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.429 0.691 . . . . 0.0 112.687 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.9 -24.01 67.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.839 1.255 . . . . 0.0 111.544 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.08 156.04 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.216 1.006 . . . . 0.0 110.766 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.58 154.4 20.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.648 173.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.12 126.01 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.873 0.469 . . . . 0.0 110.171 168.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -149.49 165.76 31.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.24 1.016 . . . . 0.0 109.838 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -77.47 161.65 27.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.678 -0.639 . . . . 0.0 109.835 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.91 -22.35 59.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.19 -51.39 61.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.004 0.922 . . . . 0.0 111.41 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.39 -32.74 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.668 0.787 . . . . 0.0 109.582 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 71.0 t80 -55.96 -36.17 67.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.193 0.597 . . . . 0.0 112.607 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.89 -28.69 67.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.845 -0.534 . . . . 0.0 112.325 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -71.66 -23.67 61.71 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.112 0.565 . . . . 0.0 110.361 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.579 ' C ' HD11 ' E' ' 55' ' ' LEU . 63.9 mt -99.16 -27.15 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.73 1.612 . . . . 0.0 112.288 -173.068 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 74.2 mm-40 -85.06 3.03 40.64 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.68 -0.62 16.05 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 175.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 54' ' ' GLY . . . . . 0.62 ' C ' HD13 ' E' ' 55' ' ' LEU . . . 80.55 99.79 0.33 Allowed Glycine 0 CA--C 1.526 0.742 0 C-N-CA 125.221 1.391 . . . . 0.0 114.961 -169.309 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.62 HD13 ' C ' ' E' ' 54' ' ' GLY . 0.0 OUTLIER -170.74 -6.82 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -168.477 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 56' ' ' THR . . . . . 0.5 ' N ' HD22 ' E' ' 55' ' ' LEU . 7.3 p -61.99 145.66 52.37 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.136 0.88 . . . . 0.0 111.204 -164.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . 48.9 70.17 2.25 Favored Pre-proline 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 110.844 -168.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.56 -45.56 37.02 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 124.157 3.238 . . . . 0.0 114.716 -168.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 122.976 0.51 . . . . 0.0 111.292 -169.018 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tpt . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -97.56 150.36 21.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.874 0.47 . . . . 0.0 111.452 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 169.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.46 150.2 35.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.642 1.577 . . . . 0.0 108.875 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -122.43 101.09 7.29 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.318 0.58 . . . . 0.0 110.344 169.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -104.97 144.56 31.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.399 1.479 . . . . 0.0 109.367 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -107.29 164.33 12.27 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.867 1.212 . . . . 0.0 113.485 169.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -53.89 134.85 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.925 -169.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.28 -11.0 69.41 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.356 0.979 . . . . 0.0 114.122 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -97.26 176.96 5.72 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.759 1.28 . . . . 0.0 112.33 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -136.09 161.25 36.22 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -136.49 156.7 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 127.114 2.166 . . . . 0.0 107.982 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -131.75 151.45 51.64 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.328 -0.858 . . . . 0.0 112.639 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.63 141.22 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.64 1.176 . . . . 0.0 109.053 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.62 -137.25 49.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -121.63 10.08 10.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.352 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.65 -17.46 1.11 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.12 137.77 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.119 0.872 . . . . 0.0 110.717 -171.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -126.29 141.03 52.07 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.212 1.005 . . . . 0.0 110.361 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -118.17 139.87 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.548 1.539 . . . . 0.0 107.931 171.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -136.35 127.92 28.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.147 0.579 . . . . 0.0 109.779 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.89 108.11 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.75 -29.98 45.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.83 0.452 . . . . 0.0 110.89 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.61 -170.44 34.64 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 123.262 0.458 . . . . 0.0 113.029 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.16 151.11 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 112.033 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.7 m -139.9 90.03 2.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.317 1.447 . . . . 0.0 108.768 170.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.83 -125.07 29.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.661 -0.575 . . . . 0.0 111.661 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -80.11 -15.57 56.83 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.05 142.09 31.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.458 0.647 . . . . 0.0 110.327 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -128.74 117.06 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -85.93 117.86 25.04 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.18 133.97 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.861 0.864 . . . . 0.0 109.791 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.82 141.47 15.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.153 0.883 . . . . 0.0 111.308 172.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.05 137.64 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.317 1.047 . . . . 0.0 109.597 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -131.65 106.44 8.16 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.129 0.972 . . . . 0.0 109.605 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.31 158.15 75.19 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.798 0.839 . . . . 0.0 111.472 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.19 162.63 29.07 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.953 2.435 . . . . 0.0 112.338 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.82 -4.9 14.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 169.146 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.48 -23.62 66.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.236 1.414 . . . . 0.0 112.153 173.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -129.17 164.8 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 111.007 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.74 161.51 14.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.308 0.643 . . . . 0.0 111.399 170.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.96 122.57 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.404 0.682 . . . . 0.0 110.37 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.6 173.53 15.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.168 0.987 . . . . 0.0 110.252 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -78.29 163.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.792 -0.568 . . . . 0.0 109.96 169.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -60.73 -29.96 69.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.854 0.461 . . . . 0.0 112.205 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.68 -44.61 77.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.021 0.928 . . . . 0.0 111.615 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -89.17 -30.67 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.602 0.761 . . . . 0.0 110.298 -170.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -49.85 -35.35 22.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 112.714 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -59.95 -22.0 61.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.05 0.94 . . . . 0.0 112.694 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -72.91 -47.77 42.86 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.502 HD12 ' N ' ' F' ' 51' ' ' ILE . 1.9 mp -64.19 -23.07 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.456 1.502 . . . . 0.0 110.554 -178.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 20.2 mm100 -85.22 -41.33 15.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 169.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.77 -32.01 8.15 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -166.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.41 -21.38 1.83 Allowed Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.118 0.865 . . . . 0.0 113.015 -169.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.413 ' N ' HD13 ' F' ' 55' ' ' LEU . 0.2 OUTLIER 61.35 -176.6 0.12 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 127.914 2.485 . . . . 0.0 112.987 169.756 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 37.8 p -87.09 -8.78 56.71 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.626 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.06 131.48 21.86 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.153 0.981 . . . . 0.0 109.889 170.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -54.76 -40.87 82.73 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.719 2.946 . . . . 0.0 113.474 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 123.108 0.563 . . . . 0.0 110.565 -169.061 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 112.002 3.802 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 112.179 3.979 . 0.372 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 112.915 4.715 . 0.287 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . 0.432 ' OP2' ' HE2' ' C' ' 7' ' ' LYS . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C5'-C4'-O4' 113.959 3.399 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.195 2.995 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C5'-C4'-O4' 113.987 3.42 . 0.03 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.482 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 C5'-C4'-C3' 108.68 -4.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.091 2.879 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 0 P-O3'-C3' 122.553 2.378 . 0.017 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 C3'-C2'-C1' 105.516 4.462 . 0.029 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 O4'-C1'-N19 112.218 4.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.45 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 O4'-C4'-C3' 108.432 2.094 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 110.69 -3.207 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C4'-C3'-C2' 99.985 -2.715 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 O4'-C1'-N19 111.64 3.44 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.658 3.458 . 0.395 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O4'-C1'-N19 112.125 3.925 . 0.628 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 112.462 4.262 . 0.195 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C4'-C3'-C2' 99.883 -2.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.922 3.722 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 O4'-C1'-N19 112.367 4.167 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 110.797 2.597 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 2 O4'-C1'-N19 112.498 4.298 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 O4'-C1'-N19 112.143 3.943 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 N19-C1'-C2' 108.765 -2.897 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 O4'-C1'-N19 111.269 3.069 . 0.369 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C5'-C4'-C3' 111.607 -2.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.361 0 C5'-C4'-C3' 112.05 -2.3 . 0.047 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.251 0 C5'-C4'-C3' 111.598 -2.601 OUTLIER-DELTA 0.016 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O4'-C1'-N19 111.614 3.414 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C4'-C3'-C2' 99.588 -3.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.237 3.037 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 O4'-C1'-N19 112.479 4.279 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.737 3.537 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.832 -2.868 . 0.329 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 111.459 3.259 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 1 O4'-C1'-N19 112.417 4.217 . 0.391 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 0 C5'-C4'-C3' 110.344 -3.437 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C3'-C2'-C1' 104.301 3.112 . 0.269 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 1 O4'-C1'-N19 113.039 4.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 1 C5'-C4'-C3' 108.577 -4.616 . 0.019 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 O4'-C1'-N19 112.154 3.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 114.019 5.819 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 1 O4'-C1'-N19 112.3 4.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 112.586 4.386 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 99.557 -3.143 . 0.162 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 2 O4'-C1'-N19 112.861 4.661 . 0.073 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.462 1 C3'-C2'-C1' 105.694 4.66 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 O4'-C1'-N19 110.543 2.343 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.265 3.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 0 C5'-C4'-C3' 111.714 -2.524 . 0.423 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.4 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.374 1 O5'-C5'-C4' 116.793 4.709 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 111.541 -2.639 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.42 4.22 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C4'-C3'-C2' 100.582 -2.118 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 110.772 2.572 . 0.571 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 112.062 3.862 . 0.139 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.957 3.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 O4'-C1'-N19 112.182 3.982 . 0.102 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.537 3.337 . 0.198 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.551 3.351 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C5'-C4'-C3' 110.93 -3.047 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.411 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.416 0 C3'-C2'-C1' 104.803 3.669 . 0.609 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.411 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C5'-C4'-C3' 111.145 -2.903 . 0.303 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C3'-C2'-C1' 103.709 2.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 C5'-C4'-C3' 112.189 -2.208 . 0.147 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 2 C5'-C4'-C3' 104.746 -7.17 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 P-O3'-C3' 125.543 4.869 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 0 C5'-C4'-C3' 111.437 -2.709 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 1 O4'-C1'-N19 112.386 4.186 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 110.984 2.784 . 0.565 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.125 2.925 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 ttp . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.18 108.76 20.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.696 0.798 . . . . 0.0 109.979 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.12 135.03 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.54 157.58 41.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 109.748 172.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -119.12 100.98 7.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.56 ' HG2' HD11 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -117.96 143.26 46.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.868 0.867 . . . . 0.0 110.622 -168.118 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -108.45 160.34 15.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.88 -0.512 . . . . 0.0 110.631 -170.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -47.73 126.02 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.324 0.649 . . . . 0.0 110.555 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 -5.91 78.3 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.511 1.053 . . . . 0.0 114.921 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -80.3 159.69 25.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.926 1.363 . . . . 0.0 111.249 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 m -134.3 133.15 40.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.485 0.714 . . . . 0.0 112.313 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.1 mm -102.18 155.75 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 124.676 1.19 . . . . 0.0 109.922 173.412 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.33 135.22 46.04 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.098 0.959 . . . . 0.0 110.846 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.72 124.57 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.15 0.98 . . . . 0.0 110.892 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.89 -121.47 23.51 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 166.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -80.53 0.9 31.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -165.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 147.0 7.28 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 128.419 2.688 . . . . 0.0 112.17 168.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.1 mp -69.95 129.02 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 O-C-N 120.859 -1.151 . . . . 0.0 109.379 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -123.37 135.0 53.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.23 0.612 . . . . 0.0 109.913 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 mm -122.59 119.91 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.754 0.822 . . . . 0.0 109.229 -171.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.9 m -116.19 133.2 56.28 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.797 0.726 . . . . 0.0 110.574 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -83.92 105.62 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -27.42 60.85 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.0 -167.99 38.28 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 122.779 0.228 . . . . 0.0 113.249 168.216 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.35 154.18 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.892 0.877 . . . . 0.0 111.399 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -133.99 73.2 1.49 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.511 1.124 . . . . 0.0 109.466 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.25 -120.31 7.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -83.66 6.47 20.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.124 0.57 . . . . 0.0 111.989 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -98.82 158.43 15.63 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.909 0.861 . . . . 0.0 111.29 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -142.05 107.99 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.834 1.654 . . . . 0.0 108.319 -168.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -94.89 101.9 13.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.206 0.602 . . . . 0.0 110.096 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.8 mt -106.99 134.54 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.212 1.405 . . . . 0.0 110.209 -174.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.4 134.64 12.17 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -108.25 128.49 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.114 1.366 . . . . 0.0 108.448 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -117.59 74.91 0.96 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.23 1.012 . . . . 0.0 109.414 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 152.41 39.4 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 125.09 1.356 . . . . 0.0 110.693 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.32 153.07 61.62 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.503 2.135 . . . . 0.0 110.242 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.02 -2.31 12.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.69 -24.97 63.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.859 0.864 . . . . 0.0 111.903 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -114.9 144.07 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 121.964 0.887 . . . . 0.0 111.709 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.02 143.1 29.99 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.918 0.887 . . . . 0.0 110.622 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.93 128.69 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.767 0.427 . . . . 0.0 110.148 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CD2' HD11 ' A' ' 51' ' ' ILE . 99.1 m-70 -151.7 156.81 41.09 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.729 0.812 . . . . 0.0 110.524 -173.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 162.48 18.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.923 170.487 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.67 -32.0 73.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.54 0.736 . . . . 0.0 112.429 -172.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.41 -25.94 17.82 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.612 1.165 . . . . 0.0 112.665 170.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -116.92 -24.74 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.573 1.149 . . . . 0.0 110.921 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -61.43 -31.53 71.47 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.792 0.723 . . . . 0.0 110.817 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.28 -15.74 61.4 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 111.815 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.8 -34.93 33.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.207 1.003 . . . . 0.0 110.879 169.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.454 ' HA ' HD12 ' A' ' 55' ' ' LEU . 38.5 mt -62.14 -52.44 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.813 0.845 . . . . 0.0 109.035 175.315 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 23.0 mm100 -84.04 5.1 27.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.695 0.798 . . . . 0.0 112.67 -174.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.75 81.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.026 0.53 . . . . 0.0 111.848 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.28 30.08 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 CA-C-O 119.955 -0.358 . . . . 0.0 113.047 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 51' ' ' ILE . 14.1 mt -111.88 -174.85 2.55 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.761 1.225 . . . . 0.0 108.041 177.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.8 p 58.43 5.4 0.44 Allowed 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 126.093 1.757 . . . . 0.0 115.275 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.09 160.52 35.2 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 125.732 1.613 . . . . 0.0 110.623 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -68.64 -30.13 28.7 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 122.792 2.328 . . . . 0.0 112.275 173.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 C-N-CA 123.108 0.563 . . . . 0.0 111.428 -173.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.7 120.2 41.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.773 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.415 HD11 " H5'" ' G' ' 52' ' ' ' A' . 63.7 mt -115.62 140.03 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 121.017 0.437 . . . . 0.0 112.105 -165.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -133.93 127.76 33.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 63.4 m -89.8 101.54 14.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 169.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.9 172.94 7.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.242 1.417 . . . . 0.0 109.77 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -145.41 158.05 43.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.293 1.037 . . . . 0.0 108.777 167.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.38 133.8 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -168.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.18 64.66 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 114.866 -1.061 . . . . 0.0 114.512 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.77 171.2 13.38 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.825 1.312 . . . . 0.0 111.846 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -135.51 157.6 46.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.81 0.844 . . . . 0.0 112.163 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -131.88 157.48 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 125.606 1.562 . . . . 0.0 109.2 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -136.58 138.87 41.69 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.88 0.872 . . . . 0.0 110.68 -173.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -133.71 129.61 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.257 1.023 . . . . 0.0 109.639 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.94 -135.69 51.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -120.51 0.52 10.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.64 0.776 . . . . 0.0 112.212 173.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -119.26 -17.01 8.97 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -170.261 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.85 135.28 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 118.774 0.716 . . . . 0.0 110.856 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -130.45 149.13 52.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.77 1.228 . . . . 0.0 109.731 170.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 mm -126.81 145.45 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.762 1.625 . . . . 0.0 108.256 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -134.89 129.56 34.56 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.07 0.548 . . . . 0.0 110.12 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' ILE . . . . . 0.725 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.2 tp -85.45 98.61 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -69.92 -31.27 68.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.088 -0.383 . . . . 0.0 111.156 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.4 177.34 31.4 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 123.567 0.603 . . . . 0.0 112.885 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -111.33 152.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.951 0.501 . . . . 0.0 110.842 176.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -130.65 78.52 1.85 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.656 1.183 . . . . 0.0 108.895 170.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.17 -119.43 5.03 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.67 8.83 43.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.387 0.675 . . . . 0.0 110.821 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -98.93 151.97 20.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.674 0.789 . . . . 0.0 110.198 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.94 109.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 123.702 0.801 . . . . 0.0 108.94 -169.41 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.75 116.75 22.84 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.317 1.047 . . . . 0.0 109.175 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.725 HG22 ' HA ' ' B' ' 22' ' ' ILE . 5.7 pt -134.89 141.88 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.257 0.623 . . . . 0.0 111.403 -177.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.18 141.76 15.58 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 124.123 0.868 . . . . 0.0 111.539 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.4 mt -119.53 131.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.036 0.935 . . . . 0.0 108.933 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -131.1 75.7 1.67 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.532 -167.66 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 157.48 56.93 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.673 175.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.18 154.88 43.09 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 121.904 1.736 . . . . 0.0 110.884 169.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -66.6 -0.75 3.04 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.43 0.692 . . . . 0.0 112.274 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.9 -27.4 68.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.163 1.385 . . . . 0.0 111.431 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -108.81 144.06 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.513 1.125 . . . . 0.0 110.303 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.41 142.06 28.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.452 0.644 . . . . 0.0 111.497 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.2 t -142.84 95.07 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.23 -166.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.426 ' CG ' ' H22' ' G' ' 27' ' ' ' G' . 0.0 OUTLIER -146.67 163.76 34.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.905 0.882 . . . . 0.0 110.858 175.242 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.51 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.5 ptt180 -76.94 161.32 28.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.241 0.616 . . . . 0.0 112.608 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -54.82 -40.06 69.17 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.702 0.801 . . . . 0.0 112.229 -171.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.45 -24.27 67.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.511 -0.743 . . . . 0.0 112.692 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -88.08 -47.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.18 0.992 . . . . 0.0 110.464 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -50.91 -36.97 41.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.237 1.415 . . . . 0.0 112.169 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.65 -23.32 63.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.3 mpt_? -78.97 -39.01 35.53 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 118.932 0.787 . . . . 0.0 110.456 170.379 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.425 ' HA ' HD12 ' B' ' 55' ' ' LEU . 92.0 mt -65.65 -41.15 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.068 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.17 4.98 13.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.08 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.04 -20.02 46.24 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.93 -0.481 . . . . 0.0 111.505 168.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.04 46.41 0.07 OUTLIER Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.38 -0.678 . . . . 0.0 114.531 168.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.04 -175.67 2.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.017 0.908 . . . . 0.0 113.074 -168.318 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -125.94 -179.92 4.91 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.465 1.506 . . . . 0.0 109.015 167.454 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.33 121.4 1.33 Allowed Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 124.355 1.062 . . . . 0.0 111.91 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -68.26 -175.17 0.77 Allowed 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.012 2.474 . . . . 0.0 112.951 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.717 169.186 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.82 107.43 16.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 167.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -83.22 132.16 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.583 0.753 . . . . 0.0 109.471 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 80.0 mt -125.46 134.92 51.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 169.126 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -93.53 150.05 20.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.32 169.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.46 ' HD3' HG13 ' C' ' 12' ' ' ILE . 21.8 ttp180 -145.99 146.92 31.18 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.558 -174.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.481 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.1 tptm -103.7 149.86 24.57 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -56.52 135.17 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.075 0.852 . . . . 0.0 112.479 -172.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -5.85 76.83 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.288 1.423 . . . . 0.0 114.608 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' GLU . . . . . 0.445 ' HB2' ' HG2' ' C' ' 6' ' ' ARG . 99.1 mt-10 -86.32 -172.33 3.99 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.456 1.628 . . . . 0.0 112.289 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.2 m -148.23 158.65 44.21 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.68 1.192 . . . . 0.0 112.903 -168.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.46 HG13 ' HD3' ' C' ' 6' ' ' ARG . 44.1 mt -135.78 157.66 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 C-N-CA 127.327 2.251 . . . . 0.0 108.192 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -128.08 146.5 50.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.711 0.805 . . . . 0.0 111.612 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -132.06 137.33 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.619 1.168 . . . . 0.0 108.73 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -135.07 51.8 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.12 5.67 9.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.018 0.927 . . . . 0.0 111.785 172.505 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.19 -8.27 4.8 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.8 135.8 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 118.68 0.673 . . . . 0.0 110.596 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -121.94 137.9 54.62 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.604 1.161 . . . . 0.0 109.167 169.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -116.51 141.14 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -131.29 136.81 48.47 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.303 0.501 . . . . 0.0 110.449 -173.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 tp -94.46 111.85 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.406 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.9 mt -90.01 -33.91 16.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.42 -168.08 39.24 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-O 120.186 -0.23 . . . . 0.0 113.094 167.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.86 163.98 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 CA-C-O 121.541 0.686 . . . . 0.0 111.86 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 m -146.85 69.95 1.19 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 108.655 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.04 -109.14 2.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -168.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.44 -6.38 30.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLN . . . . . 0.478 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -93.97 160.02 14.91 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 122.05 0.929 . . . . 0.0 111.969 171.756 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.01 117.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' C' ' 23' ' ' LEU . 13.5 ttm180 -75.83 107.28 7.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 170.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -110.65 133.49 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.161 1.384 . . . . 0.0 109.118 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.69 142.02 15.39 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.576 1.084 . . . . 0.0 111.867 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -132.27 114.65 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.89 1.276 . . . . 0.0 107.675 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -123.34 98.56 5.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 110.234 -168.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.44 62.79 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 124.474 1.11 . . . . 0.0 109.805 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.27 151.28 80.18 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.625 2.216 . . . . 0.0 111.222 171.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -64.36 -0.94 1.44 Allowed 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.693 0.797 . . . . 0.0 112.745 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.89 -23.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.345 1.058 . . . . 0.0 111.569 169.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -120.44 146.21 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.082 0.953 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 152.1 23.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.784 0.434 . . . . 0.0 111.054 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -136.52 133.49 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.068 0.547 . . . . 0.0 109.711 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -153.71 158.43 41.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.994 0.518 . . . . 0.0 111.606 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -72.04 155.09 40.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 166.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.75 -30.86 69.15 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.66 -45.45 81.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.877 0.871 . . . . 0.0 111.69 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -88.95 -30.89 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.252 0.621 . . . . 0.0 110.609 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -50.91 -38.82 52.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.469 0.708 . . . . 0.0 112.164 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.15 -32.35 68.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.634 0.774 . . . . 0.0 112.267 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -70.15 -39.13 75.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.191 0.596 . . . . 0.0 111.804 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -65.75 -22.03 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.039 0.381 . . . . 0.0 110.047 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -92.88 -11.83 32.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.652 0.781 . . . . 0.0 112.969 173.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.69 -21.59 41.16 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.092 0.957 . . . . 0.0 112.376 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.49 137.9 10.01 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.18 170.48 17.13 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.403 1.081 . . . . 0.0 111.039 -173.837 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -75.74 -2.02 27.72 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -168.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.82 83.55 9.45 Favored Pre-proline 0 N--CA 1.453 -0.306 0 CA-C-N 118.691 0.678 . . . . 0.0 110.768 170.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -59.57 130.24 34.56 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.1 2.533 . . . . 0.0 112.172 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 CA--C 1.531 0.247 0 C-N-CA 125.608 1.563 . . . . 0.0 114.856 170.543 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.406 ' HE2' ' C6 ' ' G' ' 67' ' ' ' C' . 7.6 ttp . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -116.83 119.41 35.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.645 1.178 . . . . 0.0 109.553 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.24 136.13 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.296 1.038 . . . . 0.0 110.013 -169.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.5 164.68 28.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.004 1.322 . . . . 0.0 111.607 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -106.59 115.02 29.47 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 164.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.13 127.31 53.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.692 0.797 . . . . 0.0 110.147 172.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 66.6 mttt -83.81 156.17 22.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.928 0.785 . . . . 0.0 111.356 170.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.05 134.04 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.326 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.94 -5.63 72.6 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.58 1.086 . . . . 0.0 114.226 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -95.23 179.08 5.31 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.854 1.327 . . . . 0.0 112.013 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -137.82 158.18 44.9 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -169.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.8 mt -137.08 159.95 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 127.262 2.225 . . . . 0.0 108.386 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -134.92 149.72 50.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.662 0.785 . . . . 0.0 112.284 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -134.56 136.26 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.951 1.301 . . . . 0.0 108.963 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.77 -135.92 51.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -176.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.45 5.51 9.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.774 0.83 . . . . 0.0 112.151 174.16 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -128.81 -10.89 4.91 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -172.502 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.61 135.96 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.833 0.742 . . . . 0.0 110.865 -170.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.1 m -122.3 145.45 48.23 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.764 1.226 . . . . 0.0 109.574 172.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.36 139.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.242 1.417 . . . . 0.0 107.98 176.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -132.33 125.81 31.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.131 0.572 . . . . 0.0 109.466 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.32 100.42 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 mt -75.29 -31.96 60.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.124 0.57 . . . . 0.0 110.689 -169.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.16 -172.33 42.17 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 122.16 -0.067 . . . . 0.0 113.259 172.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -117.55 160.17 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.806 0.842 . . . . 0.0 110.446 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -144.24 78.4 1.58 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.661 0.784 . . . . 0.0 109.075 169.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.96 -114.76 3.89 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -174.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 28' ' ' GLN . . . . . 0.481 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -94.08 -5.85 46.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.33 0.652 . . . . 0.0 110.266 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -73.26 153.04 40.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.8 0.81 . . . . 0.0 111.726 169.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.1 118.67 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 126.33 1.852 . . . . 0.0 106.514 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -93.1 114.42 26.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -122.17 123.93 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.222 0.609 . . . . 0.0 110.241 -168.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.74 133.35 11.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.91 139.31 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -135.28 89.92 2.57 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.92 154.52 49.64 Favored Pre-proline 0 N--CA 1.45 -0.44 0 C-N-CA 124.725 1.21 . . . . 0.0 108.4 171.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -55.53 143.1 79.71 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 121.318 1.345 . . . . 0.0 109.535 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -65.93 -7.59 17.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.381 0.672 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.98 -22.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.135 1.774 . . . . 0.0 112.773 169.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.77 160.05 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 124.091 0.956 . . . . 0.0 110.57 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.11 157.04 16.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.09 124.4 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.92 0.888 . . . . 0.0 109.66 168.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -150.02 163.56 37.82 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.956 0.902 . . . . 0.0 111.13 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -65.87 158.14 28.69 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.852 -0.53 . . . . 0.0 110.042 168.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.52 -24.56 67.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.567 0.747 . . . . 0.0 112.186 -177.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.78 -51.14 61.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.523 -0.736 . . . . 0.0 111.022 169.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -69.1 -35.07 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.274 1.03 . . . . 0.0 109.855 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.13 -45.67 86.92 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.785 -0.572 . . . . 0.0 111.022 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.59 -24.75 65.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.123 0.569 . . . . 0.0 112.458 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -45.21 83.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.191 0.996 . . . . 0.0 109.659 172.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.04 -42.33 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.461 1.104 . . . . 0.0 110.91 -173.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -70.39 1.95 4.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.559 1.144 . . . . 0.0 112.048 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -20.81 66.4 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.366 1.067 . . . . 0.0 111.991 168.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.32 35.36 0.23 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 123.572 0.606 . . . . 0.0 113.739 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -159.28 -172.97 3.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.006 0.903 . . . . 0.0 111.629 -168.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p -109.8 -94.64 0.42 Allowed 'General case' 0 N--CA 1.458 -0.072 0 C-N-CA 123.77 0.828 . . . . 0.0 110.136 168.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.82 109.41 6.55 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.472 0.709 . . . . 0.0 109.744 174.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.65 169.93 9.21 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.845 2.364 . . . . 0.0 113.914 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.453 -0.284 0 C-N-CA 124.318 1.047 . . . . 0.0 112.359 -177.906 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 tt -107.63 134.24 50.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 110.1 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.97 139.01 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.504 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 mt -136.24 165.02 26.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.805 1.642 . . . . 0.0 110.499 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 5' ' ' THR . . . . . 0.551 HG22 ' HG3' ' F' ' 29' ' ' GLN . 2.6 m -129.41 101.34 5.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 167.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.95 132.7 50.86 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.315 1.046 . . . . 0.0 111.396 -172.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -79.64 155.38 28.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.478 0.711 . . . . 0.0 111.15 171.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 8' ' ' VAL . . . . . 0.821 HG11 HG12 ' E' ' 25' ' ' VAL . 31.1 m -60.03 139.28 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.6 -3.78 86.15 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-O 119.004 -0.887 . . . . 0.0 113.967 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.86 176.69 6.03 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.967 1.384 . . . . 0.0 111.758 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -135.28 157.94 45.64 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -168.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -136.84 157.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 126.648 1.979 . . . . 0.0 107.956 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -137.07 150.01 47.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.281 -0.887 . . . . 0.0 112.939 -173.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.6 138.98 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.802 1.241 . . . . 0.0 109.173 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 -134.96 49.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -127.21 10.07 6.81 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.114 0.965 . . . . 0.0 111.706 170.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.12 -5.84 2.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -119.48 134.26 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.737 0.699 . . . . 0.0 110.557 -174.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -123.49 141.89 51.55 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.216 1.006 . . . . 0.0 109.923 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.98 137.58 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.204 1.402 . . . . 0.0 107.992 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -130.91 128.03 39.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -83.78 101.35 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 170.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.13 -33.1 69.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.855 0.462 . . . . 0.0 110.457 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.74 -167.31 38.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 25' ' ' VAL . . . . . 0.821 HG12 HG11 ' E' ' 8' ' ' VAL . 10.1 p -145.92 136.1 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.302 1.041 . . . . 0.0 112.082 -166.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -150.14 127.57 11.47 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.93 0.892 . . . . 0.0 110.62 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.6 42.7 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 28' ' ' GLN . . . . . 0.487 ' HA ' HG11 ' F' ' 25' ' ' VAL . 17.2 mm100 -90.25 -13.42 35.43 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.025 0.53 . . . . 0.0 111.45 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -80.7 144.62 32.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.762 1.225 . . . . 0.0 111.575 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -138.44 116.73 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -170.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -80.48 113.62 18.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.21 130.64 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 110.2 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.76 15.71 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 124.472 1.034 . . . . 0.0 111.488 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.69 126.99 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.632 1.173 . . . . 0.0 108.919 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -128.44 98.99 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.43 72.56 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.553 1.141 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.99 158.94 36.19 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.838 2.358 . . . . 0.0 112.084 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -68.57 -0.87 5.63 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 123.569 0.748 . . . . 0.0 112.584 169.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.98 -24.5 67.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.845 1.258 . . . . 0.0 111.59 169.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.74 153.93 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.267 1.027 . . . . 0.0 110.451 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.9 154.6 20.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.325 172.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.1 127.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.705 0.402 . . . . 0.0 110.503 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -150.59 165.46 33.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.284 1.034 . . . . 0.0 110.131 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ptt85 -77.95 161.99 27.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.806 -0.559 . . . . 0.0 109.617 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.44 -26.84 61.8 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.53 -47.29 82.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.121 0.968 . . . . 0.0 111.54 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.49 -34.31 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 123.184 0.594 . . . . 0.0 109.909 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -50.34 -35.87 29.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.921 0.888 . . . . 0.0 112.795 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -60.47 -21.93 62.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.172 0.989 . . . . 0.0 112.759 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -73.14 -49.37 28.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.492 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.4 mp -64.3 -23.03 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.07 1.348 . . . . 0.0 110.823 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -85.24 -40.51 16.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.93 -32.18 7.68 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -167.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.91 -24.1 1.72 Allowed Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.046 0.831 . . . . 0.0 112.788 -169.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.428 ' N ' HD13 ' E' ' 55' ' ' LEU . 0.2 OUTLIER 65.25 167.35 0.18 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 128.419 2.688 . . . . 0.0 113.572 169.744 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 40.9 p -102.02 -6.03 23.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.952 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.73 133.19 18.81 Favored Pre-proline 0 N--CA 1.453 -0.325 0 C-N-CA 124.048 0.939 . . . . 0.0 110.043 172.604 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -64.73 177.43 2.28 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.117 2.544 . . . . 0.0 113.436 171.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 N--CA 1.454 -0.243 0 C-N-CA 124.408 1.083 . . . . 0.0 112.704 174.646 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.753 -0.091 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.04 148.44 25.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.075 0.55 . . . . 0.0 111.51 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.31 138.22 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.596 0.758 . . . . 0.0 109.831 172.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -133.2 161.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.967 1.307 . . . . 0.0 110.428 177.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 101.01 7.42 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.7 131.45 53.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.16 1.384 . . . . 0.0 110.134 -174.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -99.15 166.01 11.44 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.683 1.128 . . . . 0.0 112.969 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 8' ' ' VAL . . . . . 0.689 HG11 HG12 ' F' ' 25' ' ' VAL . 4.3 m -52.41 139.31 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -7.68 79.55 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.21 0.91 . . . . 0.0 113.882 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -91.79 165.75 13.11 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.578 1.189 . . . . 0.0 111.688 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -128.35 155.26 44.95 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -136.43 159.44 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.951 2.1 . . . . 0.0 107.661 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 51.3 m-80 -137.38 148.98 46.62 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.495 -0.753 . . . . 0.0 112.558 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 mt -136.19 140.82 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.621 1.168 . . . . 0.0 109.093 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.68 -139.04 48.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.69 10.14 11.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.998 0.919 . . . . 0.0 111.851 170.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.94 -16.91 1.43 Allowed 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.55 137.1 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 119.072 0.851 . . . . 0.0 110.643 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -124.15 141.3 52.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.072 0.949 . . . . 0.0 110.202 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.32 137.72 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.321 1.448 . . . . 0.0 108.025 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -136.16 130.07 32.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.862 0.465 . . . . 0.0 109.932 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.64 112.73 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -84.43 -27.65 27.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.032 0.533 . . . . 0.0 111.305 -172.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.66 -177.01 36.35 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 122.909 0.29 . . . . 0.0 113.626 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 25' ' ' VAL . . . . . 0.689 HG12 HG11 ' F' ' 8' ' ' VAL . 2.6 p -135.05 136.07 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 124.299 1.04 . . . . 0.0 111.854 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -140.91 89.98 2.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.038 1.335 . . . . 0.0 109.623 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.39 -130.45 40.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.85 -20.19 60.5 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.106 0.562 . . . . 0.0 111.838 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 29' ' ' GLN . . . . . 0.551 ' HG3' HG22 ' E' ' 5' ' ' THR . 31.6 tt0 -87.73 129.08 35.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.762 0.825 . . . . 0.0 110.322 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.0 123.05 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -87.89 127.18 35.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.87 142.0 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.586 0.755 . . . . 0.0 110.408 -168.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.85 142.17 14.44 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 123.968 0.794 . . . . 0.0 111.646 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.01 138.87 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.605 1.162 . . . . 0.0 109.614 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -131.84 106.82 8.33 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.013 0.925 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.82 157.86 76.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 124.186 0.994 . . . . 0.0 111.306 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.72 162.07 33.19 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 122.982 2.455 . . . . 0.0 112.172 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -71.71 -4.25 26.42 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.428 0.691 . . . . 0.0 112.529 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.76 -20.64 64.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.677 1.191 . . . . 0.0 112.361 171.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -127.07 163.93 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.949 0.9 . . . . 0.0 111.025 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.82 161.02 13.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.36 0.664 . . . . 0.0 111.23 171.201 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.03 126.19 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.413 0.685 . . . . 0.0 110.258 170.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -152.67 175.2 13.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.313 1.045 . . . . 0.0 110.028 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.97 162.91 26.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.776 -0.578 . . . . 0.0 109.843 168.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.5 -29.87 69.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.888 0.475 . . . . 0.0 112.176 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.72 -45.27 77.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.107 0.963 . . . . 0.0 111.709 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.04 -31.56 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.664 0.786 . . . . 0.0 110.249 -170.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -49.81 -35.67 23.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.392 1.077 . . . . 0.0 112.747 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -59.64 -22.0 61.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.132 0.973 . . . . 0.0 112.617 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.48 -49.03 28.84 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.133 0.573 . . . . 0.0 109.476 174.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.501 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.1 mp -63.93 -23.09 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.242 1.417 . . . . 0.0 110.732 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -85.08 -41.28 15.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 115.672 1.731 . . . . 0.0 115.672 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.42 -32.87 7.92 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -166.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.1 -20.92 1.76 Allowed Glycine 0 CA--C 1.526 0.719 0 C-N-CA 124.101 0.857 . . . . 0.0 113.01 -169.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.463 ' N ' HD13 ' F' ' 55' ' ' LEU . 0.2 OUTLIER 62.03 -176.72 0.13 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.82 2.448 . . . . 0.0 112.875 169.72 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 34.0 p -81.59 -13.99 57.32 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.272 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.86 93.09 18.08 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.278 1.031 . . . . 0.0 109.987 171.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.33 -41.23 75.16 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.664 2.91 . . . . 0.0 112.924 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.452 -0.346 0 C-N-CA 123.116 0.566 . . . . 0.0 110.8 -168.859 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 112.082 3.882 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.757 3.557 . 0.355 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 O4'-C1'-N19 112.771 4.571 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.324 4.124 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.464 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C3'-C2'-C1' 104.274 3.082 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.464 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 C5'-C4'-C3' 108.498 -4.668 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 1 C5'-C4'-C3' 109.076 -4.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 C3'-C2'-C1' 104.07 2.856 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 O4'-C1'-N19 111.124 2.924 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 0 C3'-C2'-C1' 104.808 3.676 . 0.314 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 O4'-C1'-N19 111.26 3.06 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 C3'-C2'-C1' 103.743 2.492 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 110.61 -3.26 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 100.304 -2.396 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.846 3.646 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.64 3.44 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C5'-C4'-C3' 109.932 -3.712 . 0.773 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C5'-C4'-C3' 109.849 -3.767 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 O4'-C1'-N19 111.652 3.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 2 O4'-C1'-N19 113.247 5.047 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 O4'-C1'-N19 112.801 4.601 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 110.977 2.777 . 0.129 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O4'-C1'-N19 112.519 4.319 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 O4'-C1'-N19 112.208 4.008 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . 0.401 " H2'" ' C8 ' ' G' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 N19-C1'-C2' 109.105 -2.685 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 O5'-C5'-C4' 114.155 2.825 . 0.315 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.426 ' H22' ' CG ' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 N19-C1'-C2' 116.846 2.154 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.389 0 C5'-C4'-C3' 112.309 -2.127 . 0.065 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C5'-C4'-C3' 111.179 -2.881 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 O4'-C1'-N19 111.834 3.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 C4'-C3'-C2' 100.28 -2.42 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.056 2.856 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 112.463 4.263 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.964 3.764 . 0.4 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C4'-C3'-C2' 99.78 -2.92 . 0.269 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.365 3.165 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 0 O4'-C1'-N19 111.651 3.451 . 0.474 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 O4'-C1'-N19 112.077 3.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 C3'-C2'-C1' 104.28 3.089 . 0.323 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 1 O4'-C1'-N19 113.15 4.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 1 C5'-C4'-C3' 108.82 -4.453 . 0.027 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.282 2 C3'-C2'-C1' 105.974 4.971 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 C5'-C4'-C3' 109.831 -3.779 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 1 O4'-C1'-N19 112.781 4.581 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 1 O4'-C1'-N19 112.371 4.171 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.356 3.156 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 112.044 3.844 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 C3'-C2'-C1' 105.311 4.235 OUTLIER-EPSILON 0.07 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 98.798 -3.902 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 110.945 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 C5'-C4'-C3' 111.429 -2.714 . 0.403 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.415 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.443 1 O5'-C5'-C4' 117.266 5.047 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C5'-C4'-C3' 111.693 -2.538 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 1 O4'-C1'-N19 112.255 4.055 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 100.239 -2.461 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 110.975 2.775 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 C3'-C2'-C1' 104.307 3.119 . 0.343 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.492 4.292 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 1 O4'-C1'-N19 112.322 4.122 . 0.147 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 111.597 3.397 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O4'-C1'-N19 112.005 3.805 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 111.379 3.179 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.444 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C3'-C2'-C1' 105.073 3.971 . 0.42 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.444 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C4'-C3'-C2' 99.603 -3.097 . 0.122 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 O4'-C1'-N19 110.771 2.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . 0.565 " H2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.484 0 C3'-C2'-C1' 104.341 3.157 . 0.449 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.565 H5'' " H2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.684 2 O5'-C5'-C4' 118.893 6.21 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.562 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 P-O3'-C3' 125.794 5.078 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 O4'-C1'-N19 110.788 2.588 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 1 O4'-C1'-N19 112.686 4.486 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 111.363 3.163 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.464 3.264 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 ttp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.7 113.02 24.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.544 0.737 . . . . 0.0 109.783 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.06 134.97 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.572 0.749 . . . . 0.0 109.269 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -131.86 166.75 20.9 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.212 1.005 . . . . 0.0 109.724 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -126.98 132.95 50.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.774 0.83 . . . . 0.0 108.804 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -125.9 170.46 11.64 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.744 0.817 . . . . 0.0 109.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -132.18 158.11 42.56 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.525 HG13 ' HA2' ' A' ' 24' ' ' GLY . 67.3 t -46.45 123.96 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 120.623 0.249 . . . . 0.0 111.037 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.26 -4.82 58.76 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.567 1.08 . . . . 0.0 114.388 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -96.0 172.39 8.03 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.764 1.282 . . . . 0.0 112.284 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -141.2 160.49 39.99 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -168.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.9 mm -132.96 155.34 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 126.839 2.055 . . . . 0.0 108.12 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -129.24 144.21 51.14 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.407 1.083 . . . . 0.0 111.015 -177.385 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -135.84 127.82 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.769 0.828 . . . . 0.0 109.548 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.96 -131.24 48.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -173.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.42 4.99 5.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.888 0.875 . . . . 0.0 112.723 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -121.37 -17.67 7.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.35 135.83 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 119.071 0.85 . . . . 0.0 110.856 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -131.28 143.17 50.35 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.437 1.095 . . . . 0.0 109.945 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -122.08 143.92 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.166 1.386 . . . . 0.0 108.729 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -139.21 132.95 30.68 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.504 0.722 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -84.56 98.88 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.45 -28.89 63.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.075 -0.39 . . . . 0.0 110.167 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 174.61 -178.06 46.52 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 123.476 0.56 . . . . 0.0 113.259 169.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.22 146.94 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.801 0.84 . . . . 0.0 110.912 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.9 m -138.02 63.45 1.54 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.776 1.23 . . . . 0.0 110.294 -169.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -121.49 8.09 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.27 -5.67 54.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.097 0.559 . . . . 0.0 111.787 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.99 157.67 16.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.665 0.745 . . . . 0.0 111.995 170.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.22 128.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.903 1.681 . . . . 0.0 108.959 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -109.44 101.95 10.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.362 0.665 . . . . 0.0 110.705 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -116.02 136.34 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.445 1.098 . . . . 0.0 110.474 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.25 143.3 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.306 0.955 . . . . 0.0 111.831 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.31 138.43 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.637 1.575 . . . . 0.0 108.308 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -127.22 75.03 1.55 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.593 1.157 . . . . 0.0 109.161 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.27 154.39 42.91 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.417 1.487 . . . . 0.0 110.582 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.46 155.49 55.18 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.529 2.153 . . . . 0.0 110.677 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -68.54 -2.56 9.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.92 -30.65 71.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.914 0.886 . . . . 0.0 111.26 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -119.99 144.01 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 122.025 0.916 . . . . 0.0 111.74 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.09 143.02 37.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.327 1.051 . . . . 0.0 111.51 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.38 116.33 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 C-N-CA 123.344 0.657 . . . . 0.0 109.381 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' CG ' HD11 ' A' ' 51' ' ' ILE . 70.7 m-70 -150.91 156.87 42.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' B' ' 12' ' ' ILE . 2.2 ptm85 -78.32 152.8 32.2 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.659 0.784 . . . . 0.0 112.074 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.85 -27.3 67.42 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.981 0.513 . . . . 0.0 112.124 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -68.12 -13.08 61.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.85 0.86 . . . . 0.0 112.574 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.46 -23.3 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.969 1.308 . . . . 0.0 111.048 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.39 -31.0 71.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.4 -0.812 . . . . 0.0 110.252 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -73.55 -12.05 60.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.811 0.844 . . . . 0.0 111.832 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.57 -33.74 31.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.483 1.113 . . . . 0.0 110.793 169.159 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.461 ' HA ' HD12 ' A' ' 55' ' ' LEU . 42.4 mt -65.46 -51.96 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.355 1.062 . . . . 0.0 109.007 178.029 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -83.94 5.12 26.68 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.562 0.745 . . . . 0.0 112.053 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.77 79.02 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.112 0.565 . . . . 0.0 111.972 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.78 31.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.98 -0.344 . . . . 0.0 113.556 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 51' ' ' ILE . 15.0 mt -116.18 -172.99 2.28 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.994 1.318 . . . . 0.0 108.217 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.0 p 53.72 28.09 7.72 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.964 1.306 . . . . 0.0 113.723 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.04 154.36 75.07 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 123.882 0.873 . . . . 0.0 111.334 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -72.17 160.82 46.33 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.043 2.495 . . . . 0.0 112.063 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.451 -0.406 0 C-N-CA 124.692 1.197 . . . . 0.0 111.685 175.671 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 119.397 -0.335 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -110.92 120.2 41.59 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.983 1.313 . . . . 0.0 107.801 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -117.45 140.08 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -165.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -132.74 135.4 45.72 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.576 1.15 . . . . 0.0 110.898 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -105.22 104.39 14.11 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 27.9 mtm-85 -112.63 173.14 6.52 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.829 1.252 . . . . 0.0 110.065 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -114.7 166.96 11.18 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 118.182 0.446 . . . . 0.0 111.866 169.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.57 132.65 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.456 0.646 . . . . 0.0 111.178 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -1.35 71.35 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 114.609 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -76.68 159.74 29.96 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.251 1.525 . . . . 0.0 112.305 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -134.91 141.21 46.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.656 1.183 . . . . 0.0 110.548 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 44' ' ' ARG . 41.2 mm -132.56 151.31 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 125.951 1.7 . . . . 0.0 109.153 -172.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -126.95 143.06 51.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.283 1.033 . . . . 0.0 111.015 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -132.51 131.28 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.001 0.921 . . . . 0.0 109.631 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -133.78 52.6 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.08 5.03 5.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.801 . . . . 0.0 112.784 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -113.04 -19.29 11.94 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.98 136.95 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.015 0.825 . . . . 0.0 111.755 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -131.66 149.84 52.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.87 1.268 . . . . 0.0 109.766 169.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -132.0 144.64 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 126.124 1.77 . . . . 0.0 108.345 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -137.92 130.45 29.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.064 0.546 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.78 103.39 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -73.68 -32.41 63.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.126 -0.359 . . . . 0.0 110.649 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.25 176.66 35.48 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 172.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.03 146.23 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 75.8 m -120.18 75.28 1.09 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 169.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.62 -118.41 4.74 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.64 -174.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.17 8.29 43.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.323 0.649 . . . . 0.0 111.045 173.437 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.99 160.16 14.46 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.147 0.979 . . . . 0.0 110.334 170.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -142.92 115.0 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.34 1.056 . . . . 0.0 109.421 -168.065 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.15 120.72 32.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.267 1.427 . . . . 0.0 109.635 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.4 130.01 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.215 1.006 . . . . 0.0 110.258 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.44 141.56 15.63 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -126.59 132.15 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.756 0.823 . . . . 0.0 109.201 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.85 74.9 1.6 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.327 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.8 48.93 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.22 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -57.0 153.49 37.96 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 121.744 1.629 . . . . 0.0 110.882 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -68.19 -0.81 5.04 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.271 0.628 . . . . 0.0 112.14 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.86 -27.31 68.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.929 1.691 . . . . 0.0 112.428 170.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.32 144.11 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.315 1.046 . . . . 0.0 110.567 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.92 141.55 30.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.589 0.709 . . . . 0.0 112.055 170.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -145.81 101.77 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.294 -166.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.482 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.1 OUTLIER -147.98 166.86 26.43 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.605 0.762 . . . . 0.0 111.155 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 13.8 ptt180 -70.52 159.92 33.41 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.555 0.742 . . . . 0.0 112.015 169.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -53.39 -45.22 69.21 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 123.667 0.787 . . . . 0.0 112.433 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -69.15 -3.33 13.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mm -107.29 -49.07 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.417 1.087 . . . . 0.0 110.434 170.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -46.04 -43.6 14.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.609 1.164 . . . . 0.0 111.037 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.14 -15.46 59.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.071 1.349 . . . . 0.0 113.967 -169.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -91.15 -31.65 16.13 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.877 0.762 . . . . 0.0 111.755 175.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.78 -62.09 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.467 1.107 . . . . 0.0 112.911 -166.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.81 0.48 2.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.774 -0.579 . . . . 0.0 112.543 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -71.72 -18.83 62.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.384 0.674 . . . . 0.0 111.855 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.39 31.9 0.09 OUTLIER Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.132 -0.815 . . . . 0.0 114.931 168.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -168.45 -173.02 1.84 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.494 1.147 . . . . 0.0 112.705 -167.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p -134.67 -168.41 2.15 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.923 1.289 . . . . 0.0 109.965 169.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.27 120.91 1.98 Allowed Pre-proline 0 N--CA 1.454 -0.269 0 C-N-CA 124.234 1.014 . . . . 0.0 111.082 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -62.96 161.53 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 121.786 1.657 . . . . 0.0 114.498 -168.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 125.788 1.635 . . . . 0.0 113.352 -175.571 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.794 -0.622 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.76 109.88 20.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.157 0.983 . . . . 0.0 108.394 169.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.49 136.2 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.733 0.813 . . . . 0.0 109.797 176.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.72 134.95 47.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.161 0.984 . . . . 0.0 109.912 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.3 p -85.9 144.13 27.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' ARG . . . . . 0.441 ' HD3' HG13 ' C' ' 12' ' ' ILE . 24.8 ttp180 -145.68 140.17 27.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.544 0.338 . . . . 0.0 110.381 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.437 ' HE2' ' OP2' ' G' ' 4' ' ' ' C' . 18.4 ttpp -109.52 148.88 30.46 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -53.09 135.54 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.52 -8.2 77.16 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.563 1.554 . . . . 0.0 114.351 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -85.52 -177.77 6.51 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.304 1.552 . . . . 0.0 112.457 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -148.39 160.49 42.97 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -167.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' ILE . . . . . 0.441 HG13 ' HD3' ' C' ' 6' ' ' ARG . 57.7 mt -138.4 156.18 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 127.413 2.285 . . . . 0.0 108.922 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -126.52 146.66 50.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.047 1.339 . . . . 0.0 111.215 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -133.17 133.81 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.288 1.035 . . . . 0.0 108.908 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -135.02 50.3 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -169.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.65 10.06 6.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.886 0.874 . . . . 0.0 112.255 169.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -117.6 -14.87 10.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.022 0.929 . . . . 0.0 113.179 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.44 135.29 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.904 0.774 . . . . 0.0 110.698 -172.777 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -132.71 146.3 51.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.227 1.411 . . . . 0.0 108.776 174.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.14 140.59 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.356 0.663 . . . . 0.0 109.474 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -124.91 135.65 53.05 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.145 0.978 . . . . 0.0 110.638 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.86 109.16 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 168.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -85.46 -35.45 21.22 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.868 -0.52 . . . . 0.0 109.733 -172.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.32 -173.12 44.78 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.979 -0.153 . . . . 0.0 112.906 168.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.85 158.39 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.061 0.544 . . . . 0.0 110.765 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -138.79 67.8 1.39 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.053 1.341 . . . . 0.0 108.529 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.03 -110.36 3.02 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.2 -9.64 32.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.191 0.996 . . . . 0.0 112.103 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.3 158.08 34.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.868 0.842 . . . . 0.0 111.882 169.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.97 114.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -79.4 112.38 16.58 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 mt -115.83 133.38 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.917 1.287 . . . . 0.0 109.255 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 126.64 7.97 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 123.611 0.624 . . . . 0.0 111.759 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -107.87 123.82 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.36 1.064 . . . . 0.0 108.73 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -115.37 97.15 6.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.982 0.913 . . . . 0.0 109.972 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.8 154.79 80.66 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.009 0.924 . . . . 0.0 110.029 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.31 155.13 48.08 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.882 2.388 . . . . 0.0 111.298 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LYS . . . . . 0.568 ' HE2' ' N3 ' ' G' ' 65' ' ' ' G' . 0.0 OUTLIER -70.59 -0.94 9.62 Favored 'General case' 0 CA--C 1.527 0.063 0 O-C-N 121.986 -0.446 . . . . 0.0 111.553 175.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.86 -23.72 66.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.867 1.267 . . . . 0.0 111.689 171.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.56 147.46 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.913 0.885 . . . . 0.0 110.559 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.96 153.9 21.86 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.607 0.363 . . . . 0.0 111.281 175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -135.48 138.75 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.996 0.518 . . . . 0.0 109.793 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -155.49 156.37 35.11 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.758 0.823 . . . . 0.0 110.594 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -67.02 156.0 37.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 166.349 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.68 -29.99 71.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.94 0.791 . . . . 0.0 111.285 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.79 -24.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.518 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.25 -36.68 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.544 0.738 . . . . 0.0 110.617 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -53.88 -35.45 61.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.555 1.142 . . . . 0.0 112.073 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.14 -24.41 67.15 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.322 0.649 . . . . 0.0 112.612 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -71.3 -39.77 71.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.251 0.62 . . . . 0.0 111.793 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.48 -21.92 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -93.61 -5.79 47.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.88 0.872 . . . . 0.0 112.895 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.3 -19.09 34.34 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.983 0.913 . . . . 0.0 112.275 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.63 136.43 8.68 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 123.947 0.784 . . . . 0.0 111.361 -176.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.75 164.41 37.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.239 1.015 . . . . 0.0 111.294 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.3 p -97.51 -9.41 27.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.808 0.843 . . . . 0.0 112.558 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.64 91.09 16.13 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 124.109 0.964 . . . . 0.0 110.537 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.95 -39.37 81.56 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.656 2.904 . . . . 0.0 112.631 172.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 124.552 1.141 . . . . 0.0 110.828 -169.683 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.521 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.5 tpp . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -109.97 107.08 16.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.102 0.961 . . . . 0.0 109.769 174.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ILE . . . . . 0.521 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -98.21 142.36 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.922 1.289 . . . . 0.0 110.161 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.81 164.94 28.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.312 1.445 . . . . 0.0 111.612 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -117.78 116.84 27.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.494 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.9 OUTLIER -119.38 142.56 48.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 169.16 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -92.7 163.99 13.55 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.919 0.137 . . . . 0.0 110.934 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' VAL . . . . . 0.544 HG11 HG12 ' D' ' 25' ' ' VAL . 27.6 m -49.67 139.18 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.44 -3.03 85.3 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.208 0.909 . . . . 0.0 114.125 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -91.77 173.41 7.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.676 1.238 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -139.08 164.49 29.64 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.748 0.819 . . . . 0.0 112.768 -173.114 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' ILE . . . . . 0.494 HD11 ' HG3' ' D' ' 6' ' ' ARG . 5.9 mt -153.24 163.2 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.554 2.341 . . . . 0.0 108.215 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -141.09 150.3 42.72 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.516 1.126 . . . . 0.0 112.237 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -136.81 136.83 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.07 1.348 . . . . 0.0 108.958 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.85 -135.79 51.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -123.46 3.79 9.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.81 0.844 . . . . 0.0 112.243 174.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.06 -4.95 3.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.77 136.33 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.762 0.71 . . . . 0.0 110.639 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -131.27 145.99 52.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.77 1.228 . . . . 0.0 109.719 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -128.46 144.79 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 125.021 1.328 . . . . 0.0 108.438 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -137.13 130.97 31.97 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.861 0.864 . . . . 0.0 109.166 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -86.56 108.87 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.7 mt -81.95 -31.55 31.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.283 0.633 . . . . 0.0 110.774 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.79 -178.86 44.62 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 121.03 0.239 . . . . 0.0 113.116 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' VAL . . . . . 0.544 HG12 HG11 ' D' ' 8' ' ' VAL . 7.3 p -125.31 137.15 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.536 1.135 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -138.31 75.73 1.54 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.014 1.326 . . . . 0.0 109.991 -169.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.95 -119.83 5.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.83 -16.47 53.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.373 1.069 . . . . 0.0 110.489 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.9 158.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 122.298 1.047 . . . . 0.0 112.561 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -137.65 120.96 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.207 1.803 . . . . 0.0 106.878 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -94.95 113.04 24.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.857 0.863 . . . . 0.0 108.787 -176.078 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.63 126.43 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.539 0.736 . . . . 0.0 110.711 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.12 140.6 15.15 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.039 0.828 . . . . 0.0 111.16 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -129.28 142.21 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.927 0.891 . . . . 0.0 108.703 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -138.06 105.93 5.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.295 0.638 . . . . 0.0 109.296 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.06 155.23 74.56 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 124.187 0.995 . . . . 0.0 109.344 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -60.64 151.51 75.47 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.133 1.888 . . . . 0.0 110.514 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.42 -0.92 2.11 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 169.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.86 -19.94 66.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.971 1.308 . . . . 0.0 111.3 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -131.12 157.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.582 1.153 . . . . 0.0 110.508 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.38 156.99 16.46 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.964 0.506 . . . . 0.0 111.942 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.41 128.88 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 122.876 0.47 . . . . 0.0 110.499 169.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -153.47 167.26 30.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.445 0.698 . . . . 0.0 112.087 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -66.37 161.28 22.88 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.896 0.479 . . . . 0.0 109.967 168.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.63 -39.04 92.56 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.784 -0.573 . . . . 0.0 112.183 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -54.09 -45.57 71.84 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.556 0.743 . . . . 0.0 111.266 171.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 47' ' ' ILE . . . . . 0.465 HG23 ' C6 ' ' G' ' 7' ' ' ' C' . 19.2 mm -79.92 -40.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 124.276 1.03 . . . . 0.0 110.86 -169.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -49.24 -36.19 19.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.023 1.329 . . . . 0.0 111.988 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -63.86 -22.24 66.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.268 1.027 . . . . 0.0 113.015 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -83.3 -31.94 26.6 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.709 1.14 . . . . 0.0 110.752 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.703 HD12 ' N ' ' D' ' 51' ' ' ILE . 2.8 mp -83.03 -18.98 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.273 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 5.4 mp0 -105.03 -17.39 14.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.119 1.367 . . . . 0.0 113.535 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.39 -48.4 5.88 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 119.112 0.869 . . . . 0.0 112.668 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.03 -2.76 3.35 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.452 0.548 . . . . 0.0 113.456 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.465 ' HA ' ' HA ' ' D' ' 51' ' ' ILE . 0.0 OUTLIER 65.64 54.18 1.12 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.561 1.544 . . . . 0.0 110.991 166.496 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 56' ' ' THR . . . . . 0.474 HG21 ' H42' ' G' ' 7' ' ' ' C' . 22.0 m -73.52 -27.61 61.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -168.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 57' ' ' ALA . . . . . 0.535 ' HB3' ' O2 ' ' G' ' 7' ' ' ' C' . . . -127.73 88.67 52.85 Favored Pre-proline 0 N--CA 1.453 -0.283 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 168.593 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -64.38 177.18 2.23 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.751 2.967 . . . . 0.0 114.536 -170.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 125.09 1.356 . . . . 0.0 112.519 -175.708 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 tt -127.49 122.87 34.57 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.053 0.941 . . . . 0.0 109.54 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mm -106.68 138.36 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.304 1.042 . . . . 0.0 109.841 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt -137.46 165.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.91 1.284 . . . . 0.0 111.567 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.1 105.99 7.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 166.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.38 126.72 55.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.562 1.545 . . . . 0.0 109.722 -171.375 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -91.47 165.77 13.2 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 119.741 1.155 . . . . 0.0 112.387 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.95 138.99 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -3.21 87.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.889 0.757 . . . . 0.0 114.097 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -92.39 172.65 8.25 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.6 1.2 . . . . 0.0 111.334 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.3 m -139.94 165.67 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -169.427 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -149.99 156.94 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.369 2.268 . . . . 0.0 107.964 -169.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -137.9 152.33 48.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.465 -0.772 . . . . 0.0 113.076 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.23 142.26 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.775 1.23 . . . . 0.0 108.878 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.36 -137.83 49.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 -176.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -125.58 10.01 7.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.75 0.82 . . . . 0.0 111.657 172.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.57 -4.97 2.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.53 137.12 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 118.981 0.81 . . . . 0.0 110.848 -173.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -129.11 144.38 51.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.678 1.191 . . . . 0.0 109.945 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -127.91 138.54 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.122 1.369 . . . . 0.0 108.327 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m -134.15 130.55 37.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.185 0.594 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.32 103.26 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.456 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.35 -30.01 64.32 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.024 -0.423 . . . . 0.0 111.22 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -172.6 34.89 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.181 0.419 . . . . 0.0 113.639 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.83 156.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.801 0.84 . . . . 0.0 112.0 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -143.27 89.92 2.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.126 1.37 . . . . 0.0 108.88 169.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.43 -111.95 4.59 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.587 -0.695 . . . . 0.0 111.531 -173.382 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -91.28 -21.06 21.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.611 0.705 . . . . 0.0 111.806 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.35 146.94 48.49 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -136.76 117.39 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -87.63 126.59 35.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.64 133.36 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.379 0.672 . . . . 0.0 110.549 -168.103 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.57 139.26 14.35 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.436 1.017 . . . . 0.0 111.111 171.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.1 mt -133.23 127.85 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.853 1.261 . . . . 0.0 108.736 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -131.23 98.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.96 154.16 81.94 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.895 1.278 . . . . 0.0 109.515 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -57.05 151.59 49.3 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 121.943 1.762 . . . . 0.0 111.528 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -66.98 -5.26 12.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.078 0.951 . . . . 0.0 111.922 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.81 -28.25 68.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.573 1.949 . . . . 0.0 112.769 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -113.57 163.58 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.894 0.878 . . . . 0.0 110.627 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.36 153.91 17.45 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.99 126.47 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.305 0.642 . . . . 0.0 110.486 169.691 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -151.77 169.19 22.83 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.494 1.118 . . . . 0.0 109.684 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -80.03 165.66 22.33 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.604 -0.685 . . . . 0.0 110.342 169.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.46 -28.39 68.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.927 0.491 . . . . 0.0 112.153 -170.728 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.2 -44.32 95.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.241 1.016 . . . . 0.0 112.355 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -88.12 -28.38 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.66 0.784 . . . . 0.0 110.02 -170.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -53.43 -35.61 60.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.888 0.875 . . . . 0.0 112.154 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.66 -21.8 63.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.81 -26.13 65.02 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.797 0.726 . . . . 0.0 110.599 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -90.6 -39.68 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.48 1.112 . . . . 0.0 109.925 -173.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -75.8 3.09 10.6 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.58 -5.63 25.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.358 1.063 . . . . 0.0 113.318 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.53 26.78 0.52 Allowed Glycine 0 CA--C 1.525 0.692 0 CA-C-O 119.462 -0.632 . . . . 0.0 113.719 171.203 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.53 28.47 0.63 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -168.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -62.89 -23.91 67.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.418 -0.801 . . . . 0.0 111.249 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.95 99.13 32.29 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.834 1.254 . . . . 0.0 108.396 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -65.08 177.12 2.63 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.128 2.552 . . . . 0.0 113.618 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 124.161 0.984 . . . . 0.0 111.945 176.829 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.08 146.89 25.09 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.149 0.58 . . . . 0.0 110.953 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.8 135.67 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.467 0.707 . . . . 0.0 109.25 171.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.48 164.84 23.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.979 1.312 . . . . 0.0 110.619 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 101.88 5.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 168.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 6' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' F' ' 12' ' ' ILE . 0.8 OUTLIER -115.04 140.92 48.66 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.409 1.084 . . . . 0.0 111.033 -177.486 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -92.55 172.84 8.11 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -60.66 139.49 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.315 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.93 -2.14 87.78 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 123.97 0.795 . . . . 0.0 113.868 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -88.29 173.19 8.91 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.585 1.193 . . . . 0.0 112.112 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -137.41 153.99 50.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.782 0.833 . . . . 0.0 112.144 -173.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 12' ' ' ILE . . . . . 0.42 HD11 ' HG3' ' F' ' 6' ' ' ARG . 26.3 mt -140.87 151.18 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 125.687 1.595 . . . . 0.0 108.609 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -125.86 147.1 49.55 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.781 0.832 . . . . 0.0 111.576 -173.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -134.75 137.46 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.414 1.086 . . . . 0.0 109.187 173.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.57 -135.0 52.14 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -173.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -128.71 10.07 6.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.063 0.945 . . . . 0.0 112.34 171.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.12 -15.78 4.66 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.78 133.73 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.07 0.85 . . . . 0.0 110.525 -172.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -128.76 142.63 50.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.017 0.927 . . . . 0.0 110.5 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.1 mm -121.46 140.34 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.32 1.448 . . . . 0.0 108.615 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.61 131.83 40.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.591 0.756 . . . . 0.0 109.844 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -89.95 114.77 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.07 -27.75 24.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.032 0.533 . . . . 0.0 111.111 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 -171.95 34.42 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 113.898 0.319 . . . . 0.0 113.898 170.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -124.52 159.65 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.623 0.769 . . . . 0.0 112.221 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.51 90.06 1.69 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.916 1.286 . . . . 0.0 109.074 169.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.27 -111.72 3.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -174.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -91.14 -21.82 20.99 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.454 0.627 . . . . 0.0 111.722 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -73.36 142.36 47.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.164 0.586 . . . . 0.0 110.099 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.33 114.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -85.71 126.16 33.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.31 143.42 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.066 0.947 . . . . 0.0 110.183 -168.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.41 140.6 15.88 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 124.149 0.881 . . . . 0.0 111.527 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.48 135.7 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.603 1.161 . . . . 0.0 109.351 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -132.91 106.35 7.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.642 0.777 . . . . 0.0 109.744 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 158.68 75.07 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 123.993 0.917 . . . . 0.0 111.364 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -64.4 162.03 32.24 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.04 2.493 . . . . 0.0 112.329 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.74 -4.54 12.64 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 169.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -65.8 -23.01 66.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.356 1.463 . . . . 0.0 112.328 173.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -127.68 163.62 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.226 1.01 . . . . 0.0 111.305 -174.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.58 163.42 13.39 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.311 0.644 . . . . 0.0 111.262 169.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.08 130.11 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.45 0.7 . . . . 0.0 110.216 171.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -153.13 170.77 19.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.15 0.98 . . . . 0.0 110.083 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -76.14 158.56 31.61 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 167.48 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.94 -22.48 67.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.843 -0.536 . . . . 0.0 112.213 -169.545 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -55.82 -41.57 74.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.799 0.839 . . . . 0.0 111.853 171.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.95 -34.03 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.811 0.845 . . . . 0.0 110.233 -171.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.97 -35.86 47.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.022 0.929 . . . . 0.0 112.56 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -59.34 -21.91 60.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.136 0.975 . . . . 0.0 112.877 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.77 -39.96 66.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.586 0.63 . . . . 0.0 109.787 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 51' ' ' ILE . . . . . 0.491 HD12 ' N ' ' F' ' 51' ' ' ILE . 1.6 mp -73.92 -23.01 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.32 1.048 . . . . 0.0 110.207 -177.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -85.33 -55.78 3.86 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.15 -5.25 16.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -166.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.08 53.37 0.42 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -171.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 55' ' ' LEU . . . . . 0.719 ' H ' HD22 ' F' ' 55' ' ' LEU . 0.7 OUTLIER -45.43 141.49 2.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.481 1.912 . . . . 0.0 114.036 -165.147 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -89.14 -12.45 41.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.72 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.66 92.11 15.18 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 124.209 1.003 . . . . 0.0 110.056 171.599 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -68.16 -179.03 1.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.231 2.62 . . . . 0.0 113.358 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.454 -0.268 0 C-N-CA 124.731 1.212 . . . . 0.0 112.958 179.027 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 112.005 3.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 111.462 3.262 . 0.327 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 1 O4'-C1'-N19 112.888 4.688 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . 0.437 ' OP2' ' HE2' ' C' ' 7' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 O4'-C1'-N19 112.321 4.121 . 0.154 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . 0.459 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C3'-C2'-C1' 104.201 3.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . 0.459 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 C5'-C4'-C3' 108.433 -4.711 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.605 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.98 1 C5'-C4'-C3' 107.614 -5.257 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C3'-C2'-C1' 103.863 2.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 0 O5'-C5'-C4' 113.738 2.527 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 C3'-C2'-C1' 104.94 3.822 . 0.069 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 O4'-C1'-N19 111.664 3.464 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . 0.532 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 C3'-C2'-C1' 103.497 2.219 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 C5'-C4'-C3' 110.811 -3.126 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 100.535 -2.165 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 111.729 3.529 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . 0.42 " H2'" " C5'" ' G' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 98.864 -3.836 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . 0.42 " C5'" " H2'" ' G' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O5'-C5'-C4' 113.627 2.448 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C5'-C4'-C3' 111.496 -2.669 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 111.004 2.804 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 O4'-C1'-N19 111.82 3.62 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 112.648 4.448 . 0.31 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 O4'-C1'-N19 110.801 2.601 . 0.268 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 1 O4'-C1'-N19 112.824 4.624 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 112.082 3.882 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . 0.427 " H2'" ' C8 ' ' G' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 109.958 -3.694 . 0.528 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.875 0 O5'-C5'-C4' 115.194 3.567 . 0.422 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.482 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 N19-C1'-C2' 117.125 2.328 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.4 0 P-O3'-C3' 121.855 1.796 . 0.033 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C5'-C4'-C3' 111.561 -2.626 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.569 3.369 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 100.307 -2.393 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 111.115 2.915 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.305 4.105 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 99.193 -3.507 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 99.517 -3.183 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.459 3.259 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 P-O3'-C3' 122.577 2.398 . 0.017 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C5'-C4'-C3' 110.471 -3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 0 C3'-C2'-C1' 104.021 2.801 . 0.177 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 O4'-C1'-N19 114.235 6.035 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.386 0 C5'-C4'-C3' 110.068 -3.621 . 0.117 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 2 O4'-C1'-N19 114.624 6.424 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 1 O4'-C1'-N19 114.676 6.476 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 O4'-C1'-N19 112.344 4.144 . 0.18 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O4'-C1'-N19 112.466 4.266 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 99.793 -2.907 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-N19 112.082 3.882 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C3'-C2'-C1' 104.637 3.485 . 0.2 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . 0.437 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 99.804 -2.896 . 0.019 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O4'-C1'-N19 111.421 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C5'-C4'-C3' 110.801 -3.132 . 0.418 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 1 O5'-C5'-C4' 117.04 4.886 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C5'-C4'-C3' 111.874 -2.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.253 4.053 . 0.918 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C4'-C3'-C2' 100.319 -2.381 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 110.979 2.779 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 110.796 -3.136 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 112.023 3.823 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 1 O4'-C1'-N19 112.21 4.01 . 0.374 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.421 3.221 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.273 4.073 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.735 3.535 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C3'-C2'-C1' 103.916 2.685 . 0.228 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 99.477 -3.223 . 0.036 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . 0.568 ' N3 ' ' HE2' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -2.991 1 C3'-C2'-C1' 106.117 5.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.493 0 C5'-C4'-C3' 110.321 -3.453 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 2 C5'-C4'-C3' 105.408 -6.728 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 1 P-O3'-C3' 125.477 4.814 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 110.834 2.634 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.633 4.433 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C4'-C3'-C2' 99.686 -3.014 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.275 3.075 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.167 -0.444 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.74 116.09 31.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.722 0.809 . . . . 0.0 109.587 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.43 133.91 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.838 0.855 . . . . 0.0 109.779 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -135.07 155.56 50.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.738 1.215 . . . . 0.0 110.427 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 m -128.03 114.98 17.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.337 1.055 . . . . 0.0 110.366 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -138.41 149.12 45.2 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-N 119.116 0.871 . . . . 0.0 111.667 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.09 161.05 15.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.768 0.427 . . . . 0.0 111.363 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' HA2' ' A' ' 24' ' ' GLY . 68.3 t -40.11 128.5 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.241 1.016 . . . . 0.0 111.276 170.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.5 -9.25 71.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.348 0.975 . . . . 0.0 114.136 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -89.86 173.93 7.97 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.576 1.188 . . . . 0.0 111.858 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 156.0 41.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -170.014 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.2 mm -121.43 155.59 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 126.643 1.977 . . . . 0.0 109.7 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -125.45 140.35 52.86 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.488 1.115 . . . . 0.0 110.845 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -134.0 132.77 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.89 -128.64 26.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -128.14 -1.37 5.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.917 0.887 . . . . 0.0 112.281 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.21 -17.51 1.82 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.8 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.5 mt -106.1 137.51 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.415 0.686 . . . . 0.0 110.363 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -136.16 145.22 45.54 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.579 0.752 . . . . 0.0 109.566 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.4 mm -127.29 139.3 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.483 1.113 . . . . 0.0 108.509 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -134.61 133.43 40.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.247 0.619 . . . . 0.0 110.052 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -84.55 95.91 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -25.09 62.61 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.774 -0.579 . . . . 0.0 110.43 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.476 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.65 -167.95 40.92 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 118.145 0.429 . . . . 0.0 113.847 169.154 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -130.51 164.88 32.27 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 124.147 0.979 . . . . 0.0 111.505 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -147.36 74.41 1.33 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.225 1.01 . . . . 0.0 110.02 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.48 -126.1 12.47 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -84.68 9.07 14.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.319 0.559 . . . . 0.0 112.099 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -100.84 157.58 16.62 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.817 0.817 . . . . 0.0 111.279 167.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -137.8 126.78 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 125.76 1.624 . . . . 0.0 108.396 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -103.21 101.87 11.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.692 0.797 . . . . 0.0 110.231 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -108.42 129.07 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.932 1.293 . . . . 0.0 109.267 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.15 141.31 15.3 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 123.955 0.788 . . . . 0.0 111.346 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG21 HG11 ' A' ' 42' ' ' VAL . 62.6 mt -117.11 132.23 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 125.128 1.371 . . . . 0.0 108.317 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -122.04 74.94 1.18 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.527 1.131 . . . . 0.0 109.409 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.84 153.71 42.93 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.049 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -72.73 155.76 53.75 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.649 2.233 . . . . 0.0 110.339 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -69.36 -1.09 7.4 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.91 -31.07 71.79 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.813 0.845 . . . . 0.0 111.247 168.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.72 144.03 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 123.824 0.85 . . . . 0.0 111.561 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.02 143.04 31.84 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.837 0.855 . . . . 0.0 110.97 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 34' ' ' ILE . 29.2 m -134.31 123.79 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.227 0.611 . . . . 0.0 110.268 171.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -153.42 158.91 42.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.775 0.43 . . . . 0.0 111.761 -171.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -74.62 164.62 26.37 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.991 0.516 . . . . 0.0 110.373 167.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.79 -32.21 63.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.761 -0.587 . . . . 0.0 112.213 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -72.85 -1.34 16.37 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.355 -0.841 . . . . 0.0 113.09 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -121.83 -28.9 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.14 0.976 . . . . 0.0 111.069 175.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.26 -32.42 71.14 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.5 1.045 . . . . 0.0 110.667 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -76.77 -18.3 58.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.528 0.731 . . . . 0.0 112.094 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -78.84 -35.91 43.29 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.574 0.75 . . . . 0.0 110.99 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 76.4 mt -63.28 -49.76 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 109.358 174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -83.95 5.06 26.95 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.752 0.821 . . . . 0.0 112.955 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -22.66 67.01 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 173.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.38 -10.08 2.2 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 124.357 0.98 . . . . 0.0 112.784 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.9 pp -89.91 90.88 8.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 122.403 1.097 . . . . 0.0 111.025 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.5 p -119.54 164.02 16.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.642 -0.661 . . . . 0.0 110.697 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.17 147.79 54.97 Favored Pre-proline 0 N--CA 1.452 -0.342 0 CA-C-O 119.462 -0.304 . . . . 0.0 110.549 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.62 -29.47 79.53 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.246 2.63 . . . . 0.0 114.312 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.453 -0.325 0 C-N-CA 124.858 1.263 . . . . 0.0 113.663 178.162 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.433 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 34.9 tpp . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 119.629 -0.224 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.18 120.88 41.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 168.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.455 HD11 " H5'" ' G' ' 52' ' ' ' A' . 56.3 mt -118.68 140.88 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.591 . . . . 0.0 111.987 -165.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.14 145.11 47.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.044 1.337 . . . . 0.0 110.748 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -121.08 100.97 7.37 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' ARG . . . . . 0.452 ' HD3' HD11 ' B' ' 12' ' ' ILE . 23.9 mtp85 -125.57 162.7 24.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.014 0.926 . . . . 0.0 110.748 -170.749 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -94.08 168.59 10.85 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -61.12 136.73 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.27 0.557 . . . . 0.0 111.164 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.54 -2.01 79.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 119.192 -0.782 . . . . 0.0 114.174 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.36 154.78 22.67 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.752 1.276 . . . . 0.0 111.8 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -124.54 153.31 42.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.573 0.749 . . . . 0.0 111.841 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' B' ' 6' ' ' ARG . 38.0 mm -136.53 155.54 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 127.687 2.395 . . . . 0.0 107.687 -169.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -132.92 146.14 51.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.022 0.929 . . . . 0.0 111.167 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.94 154.23 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.463 1.105 . . . . 0.0 108.613 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.33 48.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 172.037 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.42 5.14 8.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.781 1.233 . . . . 0.0 109.809 166.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -125.91 3.05 7.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.184 1.794 . . . . 0.0 112.666 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.44 140.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -165.416 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 62.8 m -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.903 1.281 . . . . 0.0 108.016 167.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt -135.93 138.35 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.835 0.854 . . . . 0.0 109.006 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -129.55 131.36 46.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.898 0.479 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -76.47 101.38 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.414 HD13 " H1'" ' G' ' 30' ' ' ' C' . 28.1 mt -70.69 -32.15 69.28 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.037 -0.415 . . . . 0.0 110.657 -175.638 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.18 -178.24 37.2 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 116.829 -0.169 . . . . 0.0 112.832 172.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.67 154.13 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.263 0.554 . . . . 0.0 110.667 176.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -127.91 77.67 1.77 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.034 1.334 . . . . 0.0 108.405 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.96 -116.4 4.58 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.19 10.03 39.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.219 -0.577 . . . . 0.0 111.584 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -99.01 152.3 19.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.697 1.199 . . . . 0.0 109.398 170.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.02 119.29 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.006 0.523 . . . . 0.0 110.108 -167.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.49 119.21 30.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.649 1.58 . . . . 0.0 109.683 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.05 132.76 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.151 0.981 . . . . 0.0 109.683 -170.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.95 129.03 9.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 35.3 mt -117.08 128.74 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.199 1.0 . . . . 0.0 108.898 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -133.03 74.85 1.59 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.797 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.63 158.57 33.65 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 126.293 1.837 . . . . 0.0 107.243 168.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.23 155.96 37.52 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 121.413 1.408 . . . . 0.0 109.429 168.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -0.84 6.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.868 0.867 . . . . 0.0 111.243 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.83 -23.57 66.71 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.448 1.899 . . . . 0.0 111.579 172.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.73 144.08 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.851 1.26 . . . . 0.0 110.116 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.32 141.95 31.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.404 0.621 . . . . 0.0 111.912 171.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 t -144.99 99.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.407 1.083 . . . . 0.0 109.108 -166.784 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.465 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -145.68 163.04 36.14 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 123.917 0.887 . . . . 0.0 111.314 178.276 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 30.5 ptt-85 -65.65 154.72 38.04 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.467 0.307 . . . . 0.0 111.001 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -55.08 -35.41 64.53 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 123.373 0.669 . . . . 0.0 112.339 -176.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.56 -52.44 38.91 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.529 0.604 . . . . 0.0 111.14 173.882 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mm -70.23 -44.6 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.477 1.111 . . . . 0.0 110.734 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -50.91 -38.72 51.68 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.984 0.914 . . . . 0.0 112.043 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.5 -25.94 66.11 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.3 mpt_? -77.88 -41.77 35.59 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 119.031 0.832 . . . . 0.0 110.089 172.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.402 ' HA ' HD12 ' B' ' 55' ' ' LEU . 99.1 mt -63.39 -39.56 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.169 0.587 . . . . 0.0 109.472 -175.691 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 -80.34 3.38 21.31 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 174.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.34 -17.41 52.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.274 0.63 . . . . 0.0 111.685 169.214 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.53 48.18 0.1 Allowed Glycine 0 C--N 1.339 0.73 0 CA-C-O 119.529 -0.595 . . . . 0.0 114.118 169.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 55' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -169.04 -177.27 2.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.82 0.81 . . . . 0.0 112.717 -168.307 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 45.3 p -127.6 -174.95 3.32 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.471 1.509 . . . . 0.0 109.332 168.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.36 122.52 4.29 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 123.733 0.813 . . . . 0.0 111.356 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -63.32 168.47 11.08 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.357 2.038 . . . . 0.0 114.689 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 125.219 1.408 . . . . 0.0 113.108 179.444 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.422 -0.323 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 111.29 18.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.655 1.182 . . . . 0.0 108.548 169.73 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.21 134.63 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.454 1.102 . . . . 0.0 109.669 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.3 142.39 50.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.485 1.114 . . . . 0.0 110.432 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.0 p -99.71 140.07 34.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.28 0.632 . . . . 0.0 110.73 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -138.02 140.32 40.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.314 0.646 . . . . 0.0 110.915 173.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -76.2 155.66 34.31 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 168.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.62 132.77 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 O-C-N 121.516 -0.74 . . . . 0.0 111.243 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.55 -2.76 83.13 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.42 1.009 . . . . 0.0 113.988 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -87.81 174.32 8.43 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.12 1.46 . . . . 0.0 111.85 174.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -136.5 157.35 46.99 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -167.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.26 157.13 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 127.582 2.353 . . . . 0.0 108.464 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -132.68 146.55 51.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.081 0.953 . . . . 0.0 111.753 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -135.72 135.03 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.717 1.207 . . . . 0.0 109.614 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -133.61 52.66 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -130.03 9.44 5.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.767 0.827 . . . . 0.0 112.06 168.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -122.64 -12.5 8.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.164 0.985 . . . . 0.0 113.238 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.37 132.07 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 118.821 0.737 . . . . 0.0 110.536 -172.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -129.78 142.43 50.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.019 0.928 . . . . 0.0 109.509 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -120.96 136.9 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.597 1.159 . . . . 0.0 108.611 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -128.44 121.25 28.55 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.84 114.44 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 170.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 23' ' ' LEU . . . . . 0.443 HD13 " H1'" ' G' ' 67' ' ' ' C' . 11.6 mt -88.29 -43.34 11.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.886 -0.509 . . . . 0.0 110.502 -169.683 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.85 178.45 48.57 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.676 -0.297 . . . . 0.0 113.397 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.52 154.42 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-O 121.311 0.577 . . . . 0.0 110.701 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.7 m -152.98 109.13 3.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.41 -141.93 28.43 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.697 -169.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.43 5.43 31.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.186 0.994 . . . . 0.0 110.842 168.206 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.89 143.24 26.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.066 1.746 . . . . 0.0 110.402 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.1 t -129.49 118.45 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -77.11 112.45 13.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.1 mt -118.86 129.37 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.925 1.29 . . . . 0.0 109.515 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.43 ' HA3' ' HE1' ' D' ' 1' ' ' MET . . . -99.82 141.77 15.63 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 125.341 1.448 . . . . 0.0 112.301 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -128.38 119.5 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.918 1.287 . . . . 0.0 108.482 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -118.31 101.13 7.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.211 0.605 . . . . 0.0 109.848 -174.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.57 156.58 52.81 Favored Pre-proline 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 110.106 -175.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.48 153.97 74.28 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.948 2.432 . . . . 0.0 111.588 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -66.5 -1.04 3.15 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 171.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.88 -23.11 66.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.225 1.01 . . . . 0.0 111.3 169.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.74 146.9 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.156 0.982 . . . . 0.0 110.588 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.94 153.28 22.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.811 0.444 . . . . 0.0 111.055 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 m -136.49 131.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.791 0.437 . . . . 0.0 110.12 169.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -155.42 164.52 38.6 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.497 0.719 . . . . 0.0 111.453 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -79.58 162.16 25.5 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -60.92 -33.1 72.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.206 0.603 . . . . 0.0 111.965 -171.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.29 -44.15 79.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.967 0.907 . . . . 0.0 111.829 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 36.5 mm -91.6 -30.53 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 123.47 0.708 . . . . 0.0 110.822 -171.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -51.26 -34.85 34.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.827 0.851 . . . . 0.0 112.242 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.37 -29.2 70.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.604 0.761 . . . . 0.0 112.601 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -69.63 -34.81 74.59 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.164 0.585 . . . . 0.0 111.607 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 51' ' ' ILE . . . . . 0.543 ' HA ' HD11 ' C' ' 55' ' ' LEU . 2.6 mp -69.46 -20.01 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 O-C-N 121.978 -0.451 . . . . 0.0 109.794 177.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -90.35 -0.08 57.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.759 0.824 . . . . 0.0 112.599 172.001 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.81 -17.15 16.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.37 1.068 . . . . 0.0 112.937 -176.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.04 135.33 4.96 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 55' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.3 mm? -107.09 -44.98 4.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.62 0.768 . . . . 0.0 110.807 -169.097 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -144.93 139.86 27.88 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.711 1.205 . . . . 0.0 109.178 169.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.38 71.36 1.33 Allowed Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 125.069 1.347 . . . . 0.0 112.882 -169.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -62.05 175.01 2.11 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.451 2.767 . . . . 0.0 114.55 -173.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.1 t0 . . . . . 0 N--CA 1.453 -0.285 0 C-N-CA 124.043 0.937 . . . . 0.0 111.77 172.296 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' MET . . . . . 0.459 ' HE2' ' C5 ' ' G' ' 67' ' ' ' C' . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.608 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.52 111.76 17.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.936 0.894 . . . . 0.0 109.147 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.97 133.29 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.488 1.115 . . . . 0.0 108.871 -170.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.15 160.51 34.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.818 1.247 . . . . 0.0 111.096 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -104.94 110.22 22.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 165.151 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' ARG . . . . . 0.413 ' NE ' ' HA ' ' D' ' 6' ' ' ARG . 0.2 OUTLIER -103.97 131.1 51.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.411 0.284 . . . . 0.0 110.758 174.593 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -79.59 153.44 29.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.103 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.0 m -56.02 134.84 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.2 -3.2 79.81 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.266 0.936 . . . . 0.0 114.329 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -96.44 174.08 7.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.046 1.423 . . . . 0.0 112.063 177.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -133.53 159.02 41.66 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.584 0.753 . . . . 0.0 112.804 -171.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.59 157.75 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 127.157 2.183 . . . . 0.0 108.725 -175.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -132.46 144.8 50.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.381 1.072 . . . . 0.0 111.043 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -133.8 132.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.74 1.216 . . . . 0.0 109.07 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -132.99 52.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -172.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -129.97 8.56 5.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.194 0.598 . . . . 0.0 112.354 170.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -125.96 -9.6 6.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.634 0.774 . . . . 0.0 112.896 -176.275 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.57 136.18 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.356 0.662 . . . . 0.0 110.395 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -129.83 146.44 51.56 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.527 1.131 . . . . 0.0 109.662 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.36 143.2 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.585 1.554 . . . . 0.0 107.971 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 79.7 m -138.25 127.27 24.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.134 0.574 . . . . 0.0 109.469 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.1 106.21 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -79.51 -30.66 42.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 110.91 -169.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -174.58 41.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.71 -0.156 . . . . 0.0 112.71 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.33 158.31 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 122.965 0.506 . . . . 0.0 110.745 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -141.33 79.93 1.71 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.688 1.195 . . . . 0.0 108.524 169.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.72 -113.91 4.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.526 -0.629 . . . . 0.0 111.526 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -92.55 -10.25 38.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.317 1.047 . . . . 0.0 110.576 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.37 154.72 20.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.148 0.975 . . . . 0.0 112.184 170.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.86 124.45 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.64 1.576 . . . . 0.0 106.967 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -98.72 113.64 25.81 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.063 0.945 . . . . 0.0 108.661 -173.243 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -123.71 124.53 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.325 0.65 . . . . 0.0 110.396 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.04 141.59 15.68 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.397 0.998 . . . . 0.0 111.177 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -132.02 140.65 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.036 0.934 . . . . 0.0 108.699 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -138.05 102.85 4.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.218 0.607 . . . . 0.0 109.624 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.53 154.7 79.83 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.276 1.031 . . . . 0.0 109.613 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.11 149.85 82.44 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.254 1.97 . . . . 0.0 110.65 170.105 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -68.08 -1.64 6.31 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.97 -22.39 66.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.728 1.211 . . . . 0.0 111.458 168.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.81 157.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.236 1.014 . . . . 0.0 110.6 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.53 157.06 16.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.319 0.648 . . . . 0.0 111.962 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.6 131.93 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 O-C-N 121.748 -0.595 . . . . 0.0 110.571 169.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -153.98 169.73 22.78 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.4 0.68 . . . . 0.0 112.288 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 mpp_? -65.5 156.22 33.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 165.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -62.25 -36.32 81.67 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 121.095 -1.003 . . . . 0.0 111.523 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.8 -22.44 66.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.979 0.912 . . . . 0.0 112.974 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -94.36 -41.3 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.261 1.024 . . . . 0.0 111.166 178.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.86 -35.96 11.22 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.853 1.261 . . . . 0.0 112.516 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -61.61 -25.52 67.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.609 1.164 . . . . 0.0 113.277 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -44.83 63.52 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 119.703 1.138 . . . . 0.0 110.149 -177.385 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 51' ' ' ILE . . . . . 0.654 HD12 ' N ' ' D' ' 51' ' ' ILE . 2.0 mp -73.96 -18.84 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 127.073 2.149 . . . . 0.0 109.951 -176.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -104.95 -22.77 13.08 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.831 1.252 . . . . 0.0 113.556 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.88 -44.01 8.3 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 119.133 0.878 . . . . 0.0 112.955 -175.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.14 5.0 0.21 Allowed Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.26 0.457 . . . . 0.0 113.412 -173.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 55' ' ' LEU . . . . . 0.473 ' CD1' ' N ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 64.39 62.47 0.81 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.816 2.046 . . . . 0.0 110.01 167.334 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m -65.63 -21.79 66.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.754 -167.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.11 136.88 27.0 Favored Pre-proline 0 N--CA 1.451 -0.39 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 164.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.99 176.86 0.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.161 2.574 . . . . 0.0 113.233 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.455 -0.222 0 C-N-CA 124.503 1.121 . . . . 0.0 113.19 -174.506 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ttt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt -124.0 110.28 14.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.13 0.972 . . . . 0.0 109.418 -176.2 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -100.49 135.94 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.853 0.861 . . . . 0.0 109.397 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.43 163.18 28.5 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.122 1.369 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -132.75 100.94 5.09 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 6' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' E' ' 10' ' ' GLU . 12.1 ptm180 -105.01 162.15 13.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.536 1.934 . . . . 0.0 109.127 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -105.91 175.26 5.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.799 0.727 . . . . 0.0 112.507 168.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -55.54 138.99 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.979 0.419 . . . . 0.0 111.975 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.17 -5.78 84.52 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.968 -0.907 . . . . 0.0 115.116 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 10' ' ' GLU . . . . . 0.408 ' HB2' ' HE ' ' E' ' 6' ' ' ARG . 72.2 mm-40 -72.91 166.75 22.41 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.593 1.697 . . . . 0.0 111.882 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 41.0 m -131.36 149.12 52.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.909 . . . . 0.0 111.786 169.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -129.15 155.35 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.518 1.927 . . . . 0.0 108.054 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -130.43 149.85 51.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.641 -0.662 . . . . 0.0 112.479 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.92 139.28 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.48 1.112 . . . . 0.0 109.074 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -135.67 50.32 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -124.77 9.91 8.3 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.285 1.034 . . . . 0.0 111.372 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.13 -7.17 1.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -169.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.38 136.9 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 119.275 0.943 . . . . 0.0 111.091 -171.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -129.92 142.53 50.64 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.73 1.212 . . . . 0.0 110.577 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -129.58 117.56 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 124.786 1.234 . . . . 0.0 109.628 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -115.23 131.62 56.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.76 0.824 . . . . 0.0 110.271 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.66 113.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.06 -32.67 50.94 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.749 0.42 . . . . 0.0 110.457 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.39 -173.22 35.48 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.611 0.624 . . . . 0.0 113.029 168.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 m -119.03 159.7 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.417 0.687 . . . . 0.0 111.699 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -149.98 91.28 1.76 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.2 1.0 . . . . 0.0 109.709 169.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.4 -119.32 7.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -170.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -90.06 -14.77 33.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 117.436 0.618 . . . . 0.0 111.954 174.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 144.36 51.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.694 0.759 . . . . 0.0 110.021 175.628 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.16 110.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 126.562 1.945 . . . . 0.0 106.116 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -88.57 123.82 33.43 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.284 1.034 . . . . 0.0 108.779 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -129.4 138.51 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.172 0.589 . . . . 0.0 110.882 -167.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 139.13 14.88 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.704 1.145 . . . . 0.0 111.383 170.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 77.6 mt -131.29 129.89 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.64 1.176 . . . . 0.0 109.351 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.88 99.06 5.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -173.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.93 78.21 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.81 157.53 47.46 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.11 2.54 . . . . 0.0 112.086 171.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.83 -0.99 12.57 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 172.433 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.82 -22.88 66.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.434 1.093 . . . . 0.0 111.712 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -121.08 157.82 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.069 0.947 . . . . 0.0 110.552 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.73 157.32 16.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.973 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.97 126.54 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 122.979 0.511 . . . . 0.0 109.833 168.652 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -148.64 170.41 18.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.02 0.928 . . . . 0.0 109.859 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -71.19 156.4 39.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 168.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -61.82 -23.89 66.53 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.057 0.456 . . . . 0.0 111.069 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.49 -35.52 80.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.757 1.623 . . . . 0.0 111.994 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.69 -32.49 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.286 1.034 . . . . 0.0 109.683 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 48' ' ' TYR . . . . . 0.41 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 71.9 t80 -54.99 -34.91 63.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.43 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -68.68 -27.14 65.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.425 0.69 . . . . 0.0 112.824 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -68.5 -25.73 65.1 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.009 0.524 . . . . 0.0 109.814 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 51' ' ' ILE . . . . . 0.411 ' HA ' HD21 ' E' ' 55' ' ' LEU . 88.4 mt -99.02 -29.67 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 124.497 1.119 . . . . 0.0 110.581 -172.012 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 52' ' ' GLN . . . . . 0.41 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 22.7 mm100 -85.19 3.23 40.2 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.84 4.08 0.13 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 54' ' ' GLY . . . . . 0.681 ' C ' HD13 ' E' ' 55' ' ' LEU . . . 133.99 -120.78 2.57 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 126.058 1.79 . . . . 0.0 109.802 -169.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 55' ' ' LEU . . . . . 0.681 HD13 ' C ' ' E' ' 54' ' ' GLY . 0.0 OUTLIER 36.62 -12.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.271 2 C-N-CA 132.837 4.455 . . . . 0.0 122.961 163.319 . . . . . . . . 4 4 . 1 . 020 nuclear build full ' E' E ' 56' ' ' THR . . . . . 0.592 ' N ' HD22 ' E' ' 55' ' ' LEU . 5.1 p -59.73 -30.12 68.61 Favored 'General case' 0 C--N 1.337 0.052 0 CA-C-N 121.917 2.144 . . . . 0.0 112.173 -165.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.0 99.23 50.04 Favored Pre-proline 0 N--CA 1.452 -0.367 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -65.48 175.88 3.87 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.523 2.148 . . . . 0.0 113.799 -169.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 124.321 1.048 . . . . 0.0 112.697 178.292 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.734 -0.098 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -95.86 147.97 23.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.969 0.508 . . . . 0.0 111.503 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.54 137.08 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.455 0.702 . . . . 0.0 109.792 171.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.49 161.21 36.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.882 1.273 . . . . 0.0 110.367 -174.686 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.85 99.37 4.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 168.566 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.98 162.06 13.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.59 1.156 . . . . 0.0 109.507 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -121.11 171.98 8.29 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 m -54.52 134.77 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.725 -170.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.21 -2.82 81.8 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.104 0.859 . . . . 0.0 114.326 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -98.9 169.34 9.52 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.702 1.251 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -135.77 160.84 37.3 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -169.241 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 15.7 mt -139.37 154.92 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 126.379 1.872 . . . . 0.0 108.592 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -130.69 148.72 52.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.771 0.828 . . . . 0.0 112.348 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -136.02 144.79 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.635 1.174 . . . . 0.0 108.928 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.88 -132.49 52.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -170.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -128.37 9.99 6.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.487 0.715 . . . . 0.0 111.727 169.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.36 -11.47 1.89 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 113.097 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -105.16 137.52 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.597 0.635 . . . . 0.0 110.272 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -131.59 141.66 49.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.125 0.97 . . . . 0.0 110.387 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -120.55 139.86 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.585 1.554 . . . . 0.0 108.087 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 50.7 m -137.42 124.38 21.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.15 0.58 . . . . 0.0 109.762 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -76.07 116.48 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 170.355 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 mt -85.19 -29.5 24.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.076 0.55 . . . . 0.0 110.908 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.58 -176.02 34.03 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.295 0.474 . . . . 0.0 113.51 170.757 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.96 157.78 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.03 0 CA-C-N 117.621 0.711 . . . . 0.0 112.586 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -150.07 104.86 3.32 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.534 1.133 . . . . 0.0 109.351 168.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.72 -114.25 5.24 Favored Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.587 -0.696 . . . . 0.0 111.776 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -95.4 -13.16 24.9 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.626 0.713 . . . . 0.0 111.53 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.25 141.3 45.38 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.327 0.584 . . . . 0.0 109.8 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.35 105.71 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 -174.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.94 123.26 31.87 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.359 0.664 . . . . 0.0 109.401 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.91 134.99 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.461 0.704 . . . . 0.0 110.443 -168.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.63 141.71 15.62 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.086 0.85 . . . . 0.0 111.619 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mt -127.08 139.77 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 0.0 109.079 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -134.16 114.67 13.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.613 0.765 . . . . 0.0 109.236 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.71 157.22 75.42 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 123.637 0.775 . . . . 0.0 111.54 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.04 162.04 37.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.09 2.527 . . . . 0.0 112.211 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.93 -4.03 25.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.398 0.679 . . . . 0.0 112.575 172.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.92 -19.65 63.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.687 1.195 . . . . 0.0 112.376 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -126.9 165.42 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.718 0.807 . . . . 0.0 111.214 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.37 161.83 13.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.548 0.739 . . . . 0.0 111.432 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.02 119.84 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.315 0.646 . . . . 0.0 110.528 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.62 173.14 15.01 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.335 1.054 . . . . 0.0 110.063 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -76.9 160.72 28.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.796 -0.565 . . . . 0.0 110.521 169.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.34 -26.23 66.42 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.504 0.722 . . . . 0.0 112.0 -171.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.66 -45.87 88.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.852 1.261 . . . . 0.0 111.78 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -85.26 -29.23 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.798 0.839 . . . . 0.0 110.21 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -54.83 -35.05 63.54 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.952 0.901 . . . . 0.0 112.737 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.06 -26.19 66.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.497 0.719 . . . . 0.0 112.425 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.82 -22.8 61.5 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.704 0.802 . . . . 0.0 110.714 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -96.84 -47.88 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 123.971 0.908 . . . . 0.0 109.837 -170.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -70.64 3.03 3.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.91 -22.19 66.56 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.906 0.883 . . . . 0.0 112.691 169.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.21 23.91 0.03 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 114.577 0.591 . . . . 0.0 114.577 169.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -156.43 -174.59 5.01 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.177 0.989 . . . . 0.0 111.368 -169.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 10.6 m -127.49 -32.22 2.44 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 57' ' ' ALA . . . . . 0.645 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -155.39 -32.63 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.299 0 CA-C-O 117.781 -1.104 . . . . 0.0 113.759 -171.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 58' ' ' PRO . . . . . 0.645 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 31.3 Cg_exo -73.38 176.49 9.17 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 CA-C-N 121.098 1.428 . . . . 0.0 113.798 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.453 -0.296 0 C-N-CA 124.649 1.18 . . . . 0.0 111.835 177.107 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 112.051 3.851 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.647 3.447 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 1 O4'-C1'-N19 112.662 4.462 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 O4'-C1'-N19 112.185 3.985 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.719 3.519 . 0.011 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C5'-C4'-O4' 114.442 3.744 . 0.021 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 7' ' ' ' C' . . . . . 0.529 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.947 1 C5'-C4'-C3' 109.199 -4.201 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 C3'-C2'-C1' 104.487 3.319 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 0 O5'-C5'-C4' 113.802 2.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C3'-C2'-C1' 104.971 3.856 . 0.233 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.375 4.175 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C4'-C3' 108.45 2.107 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 110.584 -3.278 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 100.213 -2.487 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.477 3.277 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 O4'-C1'-N19 111.22 3.02 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C5'-C4'-C3' 112.533 -1.978 . 0.279 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 100.394 -2.306 . 0.069 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 112.144 3.944 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 1 O4'-C1'-N19 112.446 4.246 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C4'-C3'-C2' 99.794 -2.906 . 0.079 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 O4'-C1'-N19 112.689 4.489 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 O4'-C1'-N19 112.126 3.926 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 N19-C1'-C2' 108.536 -3.04 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 O4'-C1'-N19 110.785 2.585 . 0.406 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 27' ' ' ' G' . . . . . 0.465 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C5'-C4'-C3' 111.841 -2.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.391 0 C5'-C4'-C3' 112.139 -2.24 . 0.082 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C5'-C4'-C3' 111.574 -2.617 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 30' ' ' ' C' . . . . . 0.414 " H1'" HD13 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.692 3.492 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C4'-C3'-C2' 100.426 -2.274 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.334 3.134 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.292 4.092 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.127 -3.573 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 C4'-C3'-C2' 99.804 -2.896 . 0.219 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.558 3.358 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 0 C4'-C3'-C2' 100.205 -2.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.539 3.339 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 C3'-C2'-C1' 104.167 2.964 . 0.208 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 O4'-C1'-N19 113.16 4.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 1 C5'-C4'-C3' 109.222 -4.186 . 0.055 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 2 O4'-C1'-N19 113.344 5.144 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 1 O4'-C1'-N19 112.588 4.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 1 O4'-C1'-N19 112.697 4.497 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 O4'-C1'-N19 112.859 4.659 . 0.349 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 C4'-C3'-C2' 99.833 -2.867 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 O4'-C1'-N19 112.128 3.928 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 1 C3'-C2'-C1' 105.12 4.022 . 0.237 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C4'-C3'-C2' 99.746 -2.954 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C5'-C4'-C3' 110.812 -3.126 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 0 C5'-C4'-C3' 111.33 -2.78 . 0.387 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 52' ' ' ' A' . . . . . 0.455 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.307 3 C5'-C4'-C3' 108.035 -4.976 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.97 1 P-O3'-C3' 126.878 5.982 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 1 O4'-C1'-N19 112.359 4.159 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 0 C4'-C3'-C2' 99.718 -2.982 . 0.46 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 O4'-C1'-N19 111.144 2.944 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C5'-C4'-C3' 111.058 -2.961 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 O4'-C1'-N19 111.856 3.656 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 111.947 3.747 . 0.4 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 O4'-C1'-N19 111.307 3.107 . 0.205 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 O4'-C1'-N19 111.748 3.548 . 0.323 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 1 O4'-C1'-N19 112.383 4.183 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 63' ' ' ' A' . . . . . 0.498 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.322 1 C3'-C2'-C1' 105.682 4.647 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' G' G ' 64' ' ' ' G' . . . . . 0.498 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 C4'-C3'-C2' 99.996 -2.704 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 O4'-C1'-N19 110.663 2.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 66' ' ' ' A' . . . . . 0.593 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.335 1 C3'-C2'-C1' 105.663 4.625 . 0.302 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 67' ' ' ' C' . . . . . 0.593 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.549 1 O5'-C5'-C4' 120.182 7.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear build full ' G' G ' 68' ' ' ' G' . . . . . 0.552 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.3 1 P-O3'-C3' 126.33 5.525 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 C5'-C4'-C3' 111.418 -2.721 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.627 4.427 . 0.508 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 C4'-C3'-C2' 99.343 -3.357 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 111.345 -2.77 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.021 -0.514 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.21 115.33 30.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.469 0.708 . . . . 0.0 109.602 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.14 136.07 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.134 0.974 . . . . 0.0 109.456 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -131.91 159.82 37.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.13 0.972 . . . . 0.0 109.89 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -121.61 100.96 7.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.8 132.63 54.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.216 0.606 . . . . 0.0 110.687 -168.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -96.54 156.16 16.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.987 -0.446 . . . . 0.0 110.389 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.475 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.4 t -46.51 127.94 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.53 0.732 . . . . 0.0 111.181 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.57 -4.11 69.09 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.212 0.91 . . . . 0.0 114.356 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -100.12 175.02 5.88 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.492 1.146 . . . . 0.0 111.448 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 m -139.86 150.55 44.77 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -168.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.3 mm -109.75 155.31 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 125.658 1.583 . . . . 0.0 109.502 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -128.1 137.55 52.17 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.318 1.047 . . . . 0.0 110.461 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -131.3 130.98 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.451 1.1 . . . . 0.0 109.372 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.73 -129.06 30.04 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -130.04 3.49 4.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.905 0.882 . . . . 0.0 112.4 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -133.4 -13.7 2.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -168.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.5 mt -110.57 139.37 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.812 0.845 . . . . 0.0 110.39 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -136.07 148.27 48.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.825 0.85 . . . . 0.0 109.155 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -128.56 138.69 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 108.575 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -129.7 129.69 44.54 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.317 0.647 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.66 97.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.91 -31.47 69.28 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -174.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.73 -173.94 44.56 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 123.131 0.396 . . . . 0.0 113.106 169.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 147.55 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.624 0.77 . . . . 0.0 111.099 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -138.48 64.79 1.48 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.637 1.175 . . . . 0.0 109.696 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.93 -117.82 7.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.87 -1.89 55.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.586 0.754 . . . . 0.0 112.48 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -117.67 160.03 21.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.936 0.874 . . . . 0.0 112.414 169.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.04 134.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.981 1.713 . . . . 0.0 109.506 -166.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -104.38 101.96 11.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.976 0.51 . . . . 0.0 110.188 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -111.85 133.75 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.576 1.15 . . . . 0.0 109.843 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.87 139.68 14.99 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.952 0.787 . . . . 0.0 111.57 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -109.47 132.95 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.115 1.366 . . . . 0.0 108.395 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -119.94 74.97 1.05 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.552 1.141 . . . . 0.0 109.388 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.5 153.57 44.87 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.742 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.13 154.94 47.27 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.747 2.298 . . . . 0.0 110.599 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -68.33 -4.24 13.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.27 -25.41 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.92 0.888 . . . . 0.0 112.136 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.96 143.98 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.805 0.812 . . . . 0.0 111.628 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 143.02 29.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.586 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.75 130.69 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 122.832 0.453 . . . . 0.0 110.172 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -150.83 158.07 43.7 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.891 0.476 . . . . 0.0 111.537 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -62.75 159.12 17.01 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.977 0.911 . . . . 0.0 109.232 168.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.13 -42.42 99.51 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.925 1.239 . . . . 0.0 111.991 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -72.99 -0.22 13.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.522 -0.736 . . . . 0.0 112.975 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.38 -10.29 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 124.423 1.089 . . . . 0.0 111.073 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -80.06 -42.28 24.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.427 -1.421 . . . . 0.0 110.453 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -73.11 -20.66 60.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.874 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -76.47 -33.11 58.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.09 0.556 . . . . 0.0 111.631 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.61 HG22 HE21 ' A' ' 52' ' ' GLN . 75.5 mt -66.17 -50.09 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.944 0.898 . . . . 0.0 109.677 171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.61 HE21 HG22 ' A' ' 51' ' ' ILE . 85.1 mm-40 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.8 tpp . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.16 118.27 36.27 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 169.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -113.59 138.27 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -136.55 137.6 40.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.085 1.354 . . . . 0.0 110.241 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m -102.53 102.04 12.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -108.13 129.68 55.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.055 1.742 . . . . 0.0 110.64 -168.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -77.97 155.7 30.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.202 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -61.31 133.96 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.489 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.35 -4.47 73.64 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 119.273 -0.737 . . . . 0.0 114.443 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -90.3 170.93 9.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.611 1.206 . . . . 0.0 111.003 172.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.5 m -136.68 164.49 28.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.429 0.691 . . . . 0.0 112.406 -170.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mt -145.63 157.79 12.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 126.482 1.913 . . . . 0.0 108.826 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -135.67 146.65 48.02 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.966 0.906 . . . . 0.0 111.801 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.65 128.77 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.575 1.15 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.46 -134.35 51.72 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.74 5.06 6.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.79 0.836 . . . . 0.0 112.799 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -115.37 -20.0 10.48 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.05 135.07 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.163 0.892 . . . . 0.0 111.403 -169.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -129.3 148.02 51.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.792 1.237 . . . . 0.0 109.603 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -129.68 141.62 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 125.111 1.364 . . . . 0.0 108.509 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -133.87 130.23 37.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.091 0.556 . . . . 0.0 109.933 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -85.37 93.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.44 -33.38 75.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.839 -0.538 . . . . 0.0 110.974 -171.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.18 -178.0 40.95 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.66 150.33 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 169.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -124.86 79.37 1.77 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 -119.23 4.92 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.66 10.26 41.49 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.112 -0.64 . . . . 0.0 111.206 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -98.94 152.52 19.69 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.977 0.911 . . . . 0.0 109.919 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.53 111.86 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -84.05 116.37 22.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.497 1.119 . . . . 0.0 109.526 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.7 129.43 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.125 0.97 . . . . 0.0 109.526 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.42 133.01 11.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 171.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.57 128.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.806 0.812 . . . . 0.0 109.216 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -130.83 74.86 1.62 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.286 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.35 157.39 49.37 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.972 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -59.21 152.15 62.04 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.393 1.396 . . . . 0.0 109.61 168.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.56 -0.69 4.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.68 1.192 . . . . 0.0 112.827 172.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -28.17 68.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.026 1.73 . . . . 0.0 111.58 170.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -106.89 144.14 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.494 1.117 . . . . 0.0 110.174 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.8 141.25 30.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.388 0.613 . . . . 0.0 111.807 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 t -144.96 100.5 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.388 -166.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -146.2 166.48 26.09 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.208 1.003 . . . . 0.0 110.959 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -69.22 158.4 35.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 122.117 -0.364 . . . . 0.0 110.348 168.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -54.19 -38.18 65.32 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.167 0.587 . . . . 0.0 112.34 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.52 -46.61 38.77 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.995 0.518 . . . . 0.0 111.208 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.65 -47.6 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 125.374 1.47 . . . . 0.0 110.029 -172.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -50.3 -36.47 31.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.122 0.969 . . . . 0.0 111.671 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.74 -23.39 63.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -82.94 -39.48 21.37 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.567 169.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.548 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.2 mt -63.06 -40.83 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.548 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.7 mm-40 -80.2 4.96 15.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 173.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.42 -19.13 50.73 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.025 0.53 . . . . 0.0 111.164 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.69 47.61 0.09 OUTLIER Glycine 0 C--N 1.338 0.653 0 C-N-CA 123.651 0.643 . . . . 0.0 114.102 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.74 -176.97 2.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.885 0.843 . . . . 0.0 112.805 -168.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.9 p -125.37 -177.64 3.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.468 1.507 . . . . 0.0 109.47 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -41.0 119.22 1.69 Allowed Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.084 0.954 . . . . 0.0 111.31 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 31.8 Cg_exo -68.26 177.19 4.74 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.196 1.931 . . . . 0.0 113.929 -169.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.454 -0.26 0 C-N-CA 124.546 1.138 . . . . 0.0 112.858 177.119 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.84 110.46 22.63 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.79 133.68 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.718 0.807 . . . . 0.0 109.657 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.8 140.78 50.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.59 1.156 . . . . 0.0 109.666 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p -100.25 143.96 29.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.83 0.348 . . . . 0.0 110.79 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -134.78 141.32 46.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.393 0.677 . . . . 0.0 110.563 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.502 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.8 tptm -77.29 155.77 31.83 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.75 132.72 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 119.139 0.881 . . . . 0.0 111.295 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.23 -4.25 84.36 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.61 1.1 . . . . 0.0 113.991 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -86.91 173.32 9.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.203 1.501 . . . . 0.0 111.803 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -136.49 159.3 42.19 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -167.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 61.5 mt -136.49 159.04 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 127.887 2.475 . . . . 0.0 107.834 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -132.45 150.3 52.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.836 0.854 . . . . 0.0 111.62 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -133.28 136.68 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.478 1.111 . . . . 0.0 109.138 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -140.81 47.17 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.54 0.59 . . . . 0.0 111.779 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.17 7.35 12.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.686 1.194 . . . . 0.0 111.054 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.51 -13.83 5.36 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -169.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.53 135.51 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.947 0.794 . . . . 0.0 110.901 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -122.67 142.68 50.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.647 1.179 . . . . 0.0 109.612 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -124.23 139.75 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.076 1.351 . . . . 0.0 108.273 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -132.13 130.29 40.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -85.44 112.82 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 168.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -83.56 -45.11 13.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 121.722 -0.611 . . . . 0.0 110.01 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.08 -177.91 48.6 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 121.6 -0.333 . . . . 0.0 112.951 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.21 151.45 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 123.205 0.602 . . . . 0.0 110.779 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -140.07 100.23 3.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.415 1.086 . . . . 0.0 108.105 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.97 -124.14 22.89 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -169.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.55 -0.8 51.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.324 1.05 . . . . 0.0 111.939 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -85.06 153.31 22.8 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.289 0.566 . . . . 0.0 110.815 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' C' ' 22' ' ' ILE . 40.5 t -130.32 122.18 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 125.211 1.404 . . . . 0.0 108.186 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -82.23 118.03 22.8 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.23 130.84 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 125.218 1.407 . . . . 0.0 108.885 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.75 137.04 13.17 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.22 0.914 . . . . 0.0 111.996 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -122.92 121.62 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.622 1.169 . . . . 0.0 108.823 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -118.49 98.66 6.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.266 0.627 . . . . 0.0 110.128 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.26 155.06 80.23 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.254 1.021 . . . . 0.0 110.02 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.42 151.39 83.11 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.664 2.242 . . . . 0.0 111.0 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.24 -0.94 2.84 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.344 0.657 . . . . 0.0 112.615 172.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.9 -23.24 66.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 169.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.02 148.67 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.307 1.043 . . . . 0.0 110.478 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.12 154.3 22.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.298 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.22 132.29 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -153.66 153.83 33.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.334 0.654 . . . . 0.0 110.746 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -74.25 159.03 33.02 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -61.32 -32.76 72.64 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -168.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.56 -21.58 62.68 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -95.12 -35.75 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.472 0.709 . . . . 0.0 110.696 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.7 -37.04 49.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.219 1.008 . . . . 0.0 112.182 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.94 -28.86 66.66 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.834 0.854 . . . . 0.0 112.723 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -69.36 -38.32 78.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.213 0.605 . . . . 0.0 111.707 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp . . . . . 0 N--CA 1.454 -0.241 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.543 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.1 tpp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -112.04 113.64 26.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.263 1.425 . . . . 0.0 107.962 168.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.543 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.0 mp -99.28 133.85 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.768 1.227 . . . . 0.0 109.462 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 mt -123.09 172.14 8.78 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.373 1.469 . . . . 0.0 109.807 172.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -134.81 109.92 8.85 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.996 169.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -123.26 149.77 44.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.857 0.863 . . . . 0.0 111.122 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -80.76 161.07 24.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.301 0.572 . . . . 0.0 111.693 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -54.88 138.84 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.561 0.744 . . . . 0.0 111.45 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.54 83.15 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.465 1.031 . . . . 0.0 113.918 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -90.61 174.9 7.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.905 1.353 . . . . 0.0 112.961 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.66 152.32 51.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.028 0.931 . . . . 0.0 112.276 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -142.12 161.43 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.17 1.788 . . . . 0.0 108.553 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -137.59 146.47 44.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 112.035 -171.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 136.26 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.9 1.28 . . . . 0.0 109.176 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.19 -136.63 50.36 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.97 9.94 6.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.958 0.903 . . . . 0.0 112.425 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -125.65 -14.2 6.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.01 135.28 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.991 0.814 . . . . 0.0 110.864 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 58.7 m -125.9 146.85 49.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.298 1.039 . . . . 0.0 110.019 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -124.87 143.47 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.776 1.63 . . . . 0.0 108.127 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -136.96 124.14 21.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.77 105.69 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.51 -32.13 47.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.027 0.531 . . . . 0.0 110.604 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.87 -173.76 41.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 122.152 -0.071 . . . . 0.0 113.174 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -112.75 163.86 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.255 0.622 . . . . 0.0 111.116 169.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -147.21 80.94 1.53 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.427 1.091 . . . . 0.0 108.146 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.18 -115.64 4.71 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -171.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.502 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.7 mp0 -92.48 -13.53 29.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.011 0.924 . . . . 0.0 110.668 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -73.62 147.35 43.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.466 0.651 . . . . 0.0 110.599 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -132.5 116.24 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 -91.98 111.97 23.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.527 1.131 . . . . 0.0 108.804 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.72 125.18 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.507 0.723 . . . . 0.0 109.883 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.86 137.95 14.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 171.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.62 143.94 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.168 0.987 . . . . 0.0 108.492 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.09 105.59 5.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.371 0.669 . . . . 0.0 109.267 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.45 155.71 64.0 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.228 1.011 . . . . 0.0 110.031 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.74 151.95 82.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.701 2.267 . . . . 0.0 111.045 170.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.09 -1.35 7.45 Favored 'General case' 0 C--N 1.337 0.061 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.1 -21.94 66.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.375 1.07 . . . . 0.0 111.251 168.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.19 158.36 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.357 1.063 . . . . 0.0 110.641 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 157.11 16.14 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.304 0.642 . . . . 0.0 112.089 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.5 125.8 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 122.033 -0.417 . . . . 0.0 110.095 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -151.86 166.69 30.66 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.496 0.718 . . . . 0.0 111.841 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -62.67 155.76 25.42 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 167.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.29 -38.74 84.56 Favored 'General case' 0 CA--C 1.528 0.108 0 O-C-N 121.508 -0.745 . . . . 0.0 111.626 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.5 -23.98 67.62 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.943 0.897 . . . . 0.0 112.996 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm -94.77 -41.51 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.781 1.232 . . . . 0.0 110.911 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.42 -35.92 13.75 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.295 1.438 . . . . 0.0 112.097 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.42 -21.83 65.7 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.6 1.16 . . . . 0.0 113.276 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -84.53 -39.04 19.3 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.534 1.134 . . . . 0.0 110.221 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.644 HD12 ' N ' ' D' ' 51' ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.455 -0.219 0 C-N-CA 125.517 1.527 . . . . 0.0 110.51 177.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 119.894 -0.098 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -139.62 121.73 15.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.817 0.847 . . . . 0.0 109.521 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -105.06 129.8 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.818 0.847 . . . . 0.0 108.863 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.2 165.07 29.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.017 0.927 . . . . 0.0 111.602 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -128.21 123.62 34.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.288 0.635 . . . . 0.0 109.653 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.457 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.6 mmp_? -133.49 138.38 46.11 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.658 1.183 . . . . 0.0 109.98 -173.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -95.6 168.47 10.66 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.82 137.03 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.154 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.83 -4.1 83.28 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.05 0.834 . . . . 0.0 114.314 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -93.97 169.89 9.94 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.831 1.315 . . . . 0.0 111.596 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -133.54 154.88 50.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -168.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' E' ' 6' ' ' ARG . 36.8 mt -141.38 157.84 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 126.313 1.845 . . . . 0.0 108.347 -175.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -140.35 150.14 43.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -137.55 140.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.888 1.275 . . . . 0.0 109.151 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 -138.65 48.1 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -121.81 8.58 9.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.026 0.931 . . . . 0.0 111.797 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -138.38 -7.92 1.51 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.3 135.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 110.904 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.7 m -127.14 143.44 51.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.464 1.106 . . . . 0.0 110.213 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mm -123.18 136.81 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.215 1.406 . . . . 0.0 108.29 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -134.52 125.84 28.16 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.129 0.572 . . . . 0.0 109.828 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -78.65 109.17 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.8 -31.88 59.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.483 0.313 . . . . 0.0 110.479 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -172.53 33.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.111 0.386 . . . . 0.0 113.346 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.64 159.1 24.47 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.776 0.83 . . . . 0.0 112.261 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -146.24 89.96 1.91 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.198 1.399 . . . . 0.0 108.619 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.48 -113.59 5.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -93.7 -17.67 22.96 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.269 0.534 . . . . 0.0 111.786 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -74.63 140.57 44.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.469 0.708 . . . . 0.0 109.761 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.6 112.73 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -88.24 119.51 28.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.94 129.92 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.906 0.882 . . . . 0.0 110.092 -169.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.69 140.68 15.45 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.151 0.881 . . . . 0.0 111.177 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.31 126.03 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.766 1.226 . . . . 0.0 108.742 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.17 98.93 5.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.77 155.03 79.73 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 124.724 1.209 . . . . 0.0 110.445 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.0 158.02 40.93 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 122.821 2.347 . . . . 0.0 112.094 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -72.03 -0.99 13.05 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.495 0.718 . . . . 0.0 112.614 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.96 -23.13 65.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.689 1.196 . . . . 0.0 111.718 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -122.02 157.61 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.77 159.3 15.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.1 128.03 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.886 0.474 . . . . 0.0 110.583 171.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -150.97 174.11 13.51 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.856 1.263 . . . . 0.0 109.365 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . 0.496 HH21 HD22 ' F' ' 4' ' ' LEU . 6.3 ptp85 -81.34 166.03 20.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.589 -0.694 . . . . 0.0 110.219 169.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.13 -31.15 68.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.992 0.517 . . . . 0.0 112.341 -170.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.34 -48.65 79.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.338 1.055 . . . . 0.0 111.674 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -81.87 -33.03 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.564 0.745 . . . . 0.0 109.813 -171.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -50.94 -35.4 33.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.482 1.113 . . . . 0.0 112.619 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.52 -22.06 63.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.919 0.887 . . . . 0.0 112.65 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -71.81 -46.88 56.7 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.176 0.59 . . . . 0.0 109.634 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . 0.483 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -64.48 -22.96 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 125.415 1.486 . . . . 0.0 110.626 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 169.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 111.093 0.034 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.53 150.13 20.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.779 0.432 . . . . 0.0 111.391 173.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.73 133.09 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 169.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . 0.496 HD22 HH21 ' E' ' 44' ' ' ARG . 55.9 mt -128.93 161.07 30.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.003 1.321 . . . . 0.0 110.151 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.06 100.94 6.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.24 0.543 . . . . 0.0 109.807 169.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -105.0 138.94 40.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 126.26 1.824 . . . . 0.0 109.347 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -101.99 167.99 9.69 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 120.495 1.498 . . . . 0.0 112.986 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -56.93 137.49 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.844 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.22 -6.85 78.6 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.364 0.983 . . . . 0.0 113.853 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -98.29 173.51 6.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.643 1.222 . . . . 0.0 111.715 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 158.51 43.22 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 33.5 mt -137.54 158.17 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.732 2.013 . . . . 0.0 108.329 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.63 149.0 50.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.47 -0.769 . . . . 0.0 112.555 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.0 mt -136.91 140.4 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.59 1.156 . . . . 0.0 109.19 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -134.92 49.77 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.46 10.01 6.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.244 1.017 . . . . 0.0 112.328 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -131.23 -22.24 2.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.74 136.42 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 119.116 0.871 . . . . 0.0 110.84 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -127.34 142.58 51.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.316 1.046 . . . . 0.0 110.228 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mm -121.47 142.18 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.443 1.497 . . . . 0.0 108.201 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -135.41 127.63 30.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.149 0.58 . . . . 0.0 109.652 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.01 111.84 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.12 -27.7 26.06 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.207 0.603 . . . . 0.0 111.283 -171.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.73 -173.59 34.44 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.242 0.449 . . . . 0.0 113.511 171.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -127.5 153.3 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.651 0.781 . . . . 0.0 111.873 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 72.4 m -139.42 89.92 2.37 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.066 1.346 . . . . 0.0 109.173 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.46 -107.61 2.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.86 -20.35 19.51 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.298 0.549 . . . . 0.0 111.941 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -73.59 142.63 46.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 110.171 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -133.14 114.46 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.15 129.18 35.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.972 0.909 . . . . 0.0 109.476 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.67 143.0 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.057 0.943 . . . . 0.0 110.038 -168.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.22 137.88 14.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 173.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -126.63 133.74 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.999 0.92 . . . . 0.0 109.464 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -127.49 105.94 8.85 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.192 0.997 . . . . 0.0 109.29 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 157.87 76.99 Favored Pre-proline 0 N--CA 1.453 -0.283 0 C-N-CA 123.917 0.887 . . . . 0.0 111.203 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.94 160.42 41.4 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.918 2.412 . . . . 0.0 112.211 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.6 -13.94 37.23 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -13.94 61.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.15 1.38 . . . . 0.0 112.496 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 m -127.3 163.76 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.105 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.42 163.2 12.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 111.468 172.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.99 126.31 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.5 0.72 . . . . 0.0 110.094 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -153.42 176.57 11.86 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.042 0.937 . . . . 0.0 110.505 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.46 163.57 25.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.859 -0.526 . . . . 0.0 109.77 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.59 -29.72 69.37 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.15 -47.7 77.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.705 0.802 . . . . 0.0 111.43 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -87.61 -30.04 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.615 0.766 . . . . 0.0 110.309 -170.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -50.28 -36.83 33.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.474 1.11 . . . . 0.0 112.864 175.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -60.46 -22.01 62.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.893 0.877 . . . . 0.0 112.405 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.96 -22.83 52.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.546 0.739 . . . . 0.0 110.783 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.493 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.6 mp . . . . . 0 N--CA 1.454 -0.268 0 C-N-CA 124.815 1.246 . . . . 0.0 109.956 -177.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 116.11 28.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.536 0.734 . . . . 0.0 109.78 -177.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -100.15 138.87 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.692 0.797 . . . . 0.0 110.45 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt -136.4 163.23 30.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.58 1.152 . . . . 0.0 109.287 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -126.8 100.92 6.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -106.14 135.5 47.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.064 0.546 . . . . 0.0 110.661 -174.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -92.57 156.56 17.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 25' ' ' VAL . 33.1 m -62.47 135.08 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.567 -170.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.03 -1.18 67.48 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.326 0.965 . . . . 0.0 114.363 -172.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -96.79 171.35 8.57 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.971 1.386 . . . . 0.0 111.833 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 159.69 41.64 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.3 mm -131.52 156.17 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 126.878 2.071 . . . . 0.0 108.153 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -128.95 143.97 51.04 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.826 1.251 . . . . 0.0 109.807 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.0 132.81 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.787 0.835 . . . . 0.0 109.313 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 -129.79 40.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.94 4.94 4.94 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 172.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -135.4 -7.56 2.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -118.24 139.82 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.165 0.986 . . . . 0.0 110.398 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.1 m -138.88 145.62 40.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.957 0.903 . . . . 0.0 109.595 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -126.61 143.6 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.09 1.356 . . . . 0.0 108.352 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -138.92 133.12 31.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.392 0.677 . . . . 0.0 109.95 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.04 109.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 171.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.96 -31.76 45.12 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.051 -0.405 . . . . 0.0 110.114 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.6 -176.97 34.61 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 165.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 8' ' ' VAL . 23.8 m -87.56 155.94 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.953 0.901 . . . . 0.0 112.037 -171.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -143.31 60.89 1.4 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.82 1.248 . . . . 0.0 110.0 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.59 -121.94 18.8 Favored Glycine 0 CA--C 1.526 0.78 0 O-C-N 121.606 -0.683 . . . . 0.0 111.417 -173.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -77.56 -4.57 46.44 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.535 0.734 . . . . 0.0 111.98 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -98.86 160.97 13.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.986 0.898 . . . . 0.0 111.354 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.94 129.61 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 125.553 1.541 . . . . 0.0 108.024 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HG2' HG23 ' B' ' 5' ' ' THR . 42.6 mtm-85 -104.33 101.95 11.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.98 0.512 . . . . 0.0 110.031 -175.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.1 mt -106.75 135.71 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.402 1.481 . . . . 0.0 109.455 -173.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.52 141.19 16.01 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.108 0.861 . . . . 0.0 111.444 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.37 137.33 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.521 1.528 . . . . 0.0 108.15 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -128.52 74.88 1.59 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.597 1.159 . . . . 0.0 109.144 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.42 154.78 47.66 Favored Pre-proline 0 N--CA 1.453 -0.282 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.993 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 157.46 45.22 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.701 2.268 . . . . 0.0 110.461 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -69.46 -1.06 7.51 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.88 -30.02 70.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.071 0.948 . . . . 0.0 111.22 168.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -120.43 144.08 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.819 0.848 . . . . 0.0 111.206 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.57 142.95 27.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.513 0.725 . . . . 0.0 110.745 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.61 124.37 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 122.972 0.509 . . . . 0.0 110.246 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -153.8 161.09 42.36 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 109.785 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.489 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -86.05 166.51 15.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.006 -0.434 . . . . 0.0 111.983 171.684 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -68.72 -26.44 65.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.024 0.53 . . . . 0.0 112.191 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.96 -22.27 62.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.632 1.173 . . . . 0.0 112.548 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.7 -25.69 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.421 1.088 . . . . 0.0 111.235 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.78 -31.12 72.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.425 -0.797 . . . . 0.0 110.538 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.94 -11.43 60.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.894 0.878 . . . . 0.0 112.142 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.08 -30.63 25.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.688 1.195 . . . . 0.0 110.972 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.635 HG22 HE21 ' A' ' 52' ' ' GLN . 60.2 mt -69.54 -49.81 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.876 0.871 . . . . 0.0 109.197 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.635 HE21 HG22 ' A' ' 51' ' ' ILE . 54.9 mm-40 . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 124.862 1.265 . . . . 0.0 112.129 -178.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.4 tpp . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 119.727 -0.178 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.61 123.48 49.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.01 1.324 . . . . 0.0 107.508 168.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.7 mt -120.03 142.2 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -165.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -138.22 142.07 39.97 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.212 1.405 . . . . 0.0 110.946 -176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 31' ' ' ARG . 90.5 m -122.14 101.97 7.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -128.21 162.3 27.3 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.196 0.998 . . . . 0.0 110.572 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -94.87 168.72 10.62 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.225 0.536 . . . . 0.0 112.443 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -62.41 137.98 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.289 0.566 . . . . 0.0 110.997 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.27 -2.02 83.0 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.098 -0.835 . . . . 0.0 114.294 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.56 159.85 22.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.01 1.405 . . . . 0.0 112.096 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -127.87 148.63 50.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 111.132 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 25.8 mt -138.98 158.63 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.144 1.377 . . . . 0.0 109.422 -173.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -137.83 145.95 42.89 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.138 -170.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -136.2 131.23 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.41 1.084 . . . . 0.0 109.583 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.94 -134.99 52.2 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -126.71 5.04 6.71 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.571 0.749 . . . . 0.0 112.278 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -118.57 -11.97 9.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.897 0.879 . . . . 0.0 112.874 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.55 135.7 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 119.0 0.818 . . . . 0.0 111.236 -172.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -130.47 148.69 52.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.912 1.285 . . . . 0.0 109.556 171.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -127.56 147.22 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 126.203 1.801 . . . . 0.0 108.225 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -141.23 131.01 24.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.815 0.446 . . . . 0.0 109.841 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -85.09 104.85 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 170.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -73.29 -32.49 64.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.983 -0.448 . . . . 0.0 111.009 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.78 176.12 31.5 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 146.13 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.9 t -123.05 65.85 0.98 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.599 1.56 . . . . 0.0 107.531 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.61 -119.71 5.18 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.78 -171.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.62 6.79 47.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.214 0.605 . . . . 0.0 111.095 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.92 159.13 15.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.228 1.011 . . . . 0.0 109.269 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.1 t -140.05 116.56 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.825 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.91 116.89 23.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.532 1.133 . . . . 0.0 109.724 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.97 133.46 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.463 1.105 . . . . 0.0 109.694 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.99 141.54 15.49 Favored Glycine 0 C--N 1.334 0.466 0 C-N-CA 123.651 0.644 . . . . 0.0 111.895 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.5 mt -126.28 133.24 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.163 0.985 . . . . 0.0 108.965 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -132.84 80.94 1.92 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.544 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.12 74.67 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.78 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -59.39 158.88 25.13 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.054 1.836 . . . . 0.0 111.704 169.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -72.81 -0.73 14.18 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.697 0.799 . . . . 0.0 112.332 169.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.0 -17.7 64.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.362 1.465 . . . . 0.0 111.9 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -122.34 144.21 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.638 1.175 . . . . 0.0 110.481 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.36 142.98 27.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.381 0.61 . . . . 0.0 111.927 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -144.92 98.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.852 -166.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.65 165.37 30.65 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.879 0.872 . . . . 0.0 111.705 -179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 28.5 ptt-85 -68.48 157.02 36.79 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.085 0.554 . . . . 0.0 111.821 170.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.35 -44.01 68.19 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.607 0.763 . . . . 0.0 112.644 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.92 -6.31 26.64 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -102.38 -49.48 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.662 1.185 . . . . 0.0 110.173 171.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -51.02 -36.98 42.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 112.007 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.86 -20.86 63.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -81.33 -37.84 27.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 119.056 0.844 . . . . 0.0 110.681 169.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' NE2' ' B' ' 52' ' ' GLN . 98.3 mt -66.8 -39.48 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -175.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.464 ' NE2' HG22 ' B' ' 51' ' ' ILE . 36.1 mm-40 -79.2 5.01 13.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 172.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -83.99 -8.87 59.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.421 0.688 . . . . 0.0 112.798 170.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.93 41.07 0.25 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.464 -0.631 . . . . 0.0 114.448 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -167.02 -172.99 2.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.968 0.884 . . . . 0.0 113.167 -167.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.8 m -130.34 170.95 13.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.574 1.55 . . . . 0.0 108.47 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.98 119.7 0.69 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 125.215 1.406 . . . . 0.0 111.709 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -65.67 178.78 2.02 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.479 2.119 . . . . 0.0 113.965 -169.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 123.751 0.82 . . . . 0.0 112.544 175.208 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpp . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.36 104.23 13.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 120.253 1.388 . . . . 0.0 108.586 174.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.5 136.77 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.011 0.924 . . . . 0.0 110.023 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -134.37 134.99 42.35 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.848 1.259 . . . . 0.0 109.912 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -88.69 136.31 33.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.171 -0.331 . . . . 0.0 110.342 169.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.7 mmp_? -133.09 137.59 46.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.329 0.652 . . . . 0.0 110.535 169.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -95.31 151.84 18.9 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.063 0.945 . . . . 0.0 108.582 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -54.91 135.1 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 119.136 0.88 . . . . 0.0 113.31 -168.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.76 -5.37 83.56 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.275 1.416 . . . . 0.0 114.082 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -85.09 169.61 13.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.312 1.556 . . . . 0.0 112.17 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -136.07 161.27 36.17 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -169.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mt -138.14 153.12 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 C-N-CA 126.422 1.889 . . . . 0.0 109.43 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -119.39 144.56 46.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.619 1.167 . . . . 0.0 111.881 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.3 mm -132.37 135.79 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.886 1.274 . . . . 0.0 108.859 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.23 -133.23 45.83 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -169.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -128.44 10.03 6.14 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.723 0.809 . . . . 0.0 111.417 169.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.39 -5.64 4.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.502 1.121 . . . . 0.0 112.602 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.61 144.56 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.772 0.829 . . . . 0.0 110.653 -173.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -136.71 149.69 48.03 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.459 1.103 . . . . 0.0 110.037 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -129.4 145.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.775 1.63 . . . . 0.0 108.503 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.5 m -137.66 132.47 33.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.165 0.439 . . . . 0.0 111.236 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.73 109.47 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 167.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.57 -34.64 23.17 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.925 -0.484 . . . . 0.0 109.742 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.02 -173.02 43.5 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 116.908 -0.133 . . . . 0.0 113.006 169.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.59 153.98 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.279 0.632 . . . . 0.0 110.665 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -142.11 93.26 2.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.472 1.109 . . . . 0.0 108.507 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -123.79 14.19 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -168.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.76 -3.41 52.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.998 0.919 . . . . 0.0 112.006 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -82.58 156.29 24.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.497 0.719 . . . . 0.0 110.851 174.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -134.41 117.18 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -78.04 114.35 16.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt -116.13 126.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.735 1.214 . . . . 0.0 109.496 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.73 142.76 18.0 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 125.189 1.376 . . . . 0.0 111.517 170.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 1' ' ' MET . 62.5 mt -130.07 133.84 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -135.9 91.64 2.72 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.949 0.5 . . . . 0.0 109.898 -173.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 154.3 81.76 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 109.995 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.98 151.6 83.77 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.609 2.206 . . . . 0.0 110.903 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -67.26 -0.99 3.92 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.453 0.701 . . . . 0.0 112.359 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -21.65 66.46 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.751 1.221 . . . . 0.0 111.314 168.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 m -127.35 154.82 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.505 1.122 . . . . 0.0 110.817 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.27 153.4 20.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.65 0.38 . . . . 0.0 111.881 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.34 131.32 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.379 0.672 . . . . 0.0 109.649 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -152.4 167.4 28.85 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.586 0.754 . . . . 0.0 110.925 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' D' ' 12' ' ' ILE . 30.3 ptt-85 -87.5 162.86 17.0 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 167.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.53 -35.53 76.23 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.074 0.55 . . . . 0.0 111.73 -169.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.26 -14.99 61.0 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.02 -35.01 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.876 0.871 . . . . 0.0 110.868 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.23 -33.78 54.32 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.797 1.239 . . . . 0.0 112.235 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -60.96 -26.14 67.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.674 0.789 . . . . 0.0 112.571 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.86 -37.03 75.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.76 . . . . 0.0 111.799 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.439 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.3 mp . . . . . 0 N--CA 1.455 -0.219 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 52.9 mmm . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.07 110.62 9.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 107.103 166.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.0 141.38 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.946 1.298 . . . . 0.0 109.91 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -139.64 167.16 22.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.833 1.253 . . . . 0.0 111.804 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.34 117.21 29.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.127 0.971 . . . . 0.0 109.302 165.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.2 OUTLIER -114.92 140.44 49.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.325 0.65 . . . . 0.0 110.279 167.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -80.48 164.09 23.27 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 168.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.566 HG11 HG12 ' D' ' 25' ' ' VAL . 19.2 m -49.96 137.59 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.31 168.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.7 0.76 85.86 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 119.132 -0.816 . . . . 0.0 114.342 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.77 173.13 6.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.65 1.225 . . . . 0.0 112.024 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -137.01 156.03 48.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' C' ' 44' ' ' ARG . 41.4 mm -137.08 156.3 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 127.681 2.392 . . . . 0.0 108.676 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -134.33 147.31 50.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.302 1.041 . . . . 0.0 111.839 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -135.06 138.59 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.515 1.126 . . . . 0.0 109.061 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.31 -134.49 52.3 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -130.05 9.98 5.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.029 0.932 . . . . 0.0 112.612 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -131.19 -6.64 3.85 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.29 136.74 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 119.036 0.835 . . . . 0.0 110.631 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -134.89 148.04 50.0 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.809 1.243 . . . . 0.0 109.668 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -130.43 141.02 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.528 1.531 . . . . 0.0 107.876 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -137.15 124.84 22.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.166 0.586 . . . . 0.0 109.608 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.4 111.32 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 57.1 mt -82.18 -29.88 31.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.474 0.709 . . . . 0.0 110.771 -171.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -178.77 41.67 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-O 120.986 0.215 . . . . 0.0 112.867 168.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.566 HG12 HG11 ' D' ' 8' ' ' VAL . 7.4 p -124.04 135.12 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.509 1.124 . . . . 0.0 109.827 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 54.6 m -132.6 71.07 1.46 Allowed 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.955 1.302 . . . . 0.0 109.956 -169.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.57 -117.51 4.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.35 -19.41 31.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.457 1.103 . . . . 0.0 110.551 172.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -77.38 150.3 35.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.665 0.786 . . . . 0.0 111.168 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -133.22 121.11 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -95.98 109.83 22.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.653 0.781 . . . . 0.0 109.01 -175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -116.07 128.53 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.626 0.771 . . . . 0.0 110.057 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.32 138.5 14.14 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.22 0.914 . . . . 0.0 111.012 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 141.7 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -138.03 103.46 4.97 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.433 0.693 . . . . 0.0 109.615 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.72 156.91 75.87 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.111 0.964 . . . . 0.0 109.617 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.72 152.87 78.54 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.268 1.979 . . . . 0.0 110.726 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.56 -0.95 9.58 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.14 -19.05 64.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.785 1.234 . . . . 0.0 111.485 168.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.1 160.02 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.664 1.185 . . . . 0.0 110.218 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.26 157.04 17.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.85 125.87 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.107 0.563 . . . . 0.0 110.126 170.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -147.01 159.92 43.0 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.592 0.757 . . . . 0.0 110.482 171.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -69.32 160.53 31.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.974 -0.454 . . . . 0.0 110.592 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.14 -32.7 71.27 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.749 0.704 . . . . 0.0 112.736 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -77.76 -26.32 49.76 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.434 -0.791 . . . . 0.0 112.917 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 mm -82.52 -39.17 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.474 0.709 . . . . 0.0 110.205 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.33 -37.96 68.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.36 1.464 . . . . 0.0 111.767 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.24 -20.9 60.88 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.054 0.942 . . . . 0.0 112.879 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.24 -36.16 35.06 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.058 0.845 . . . . 0.0 111.349 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.482 HD12 ' N ' ' D' ' 51' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.456 -0.134 0 CA-C-N 118.81 0.732 . . . . 0.0 110.304 -177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -128.74 127.0 41.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.458 1.026 . . . . 0.0 110.757 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.83 142.17 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.619 1.168 . . . . 0.0 109.921 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.43 164.3 28.48 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.702 1.601 . . . . 0.0 110.735 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -138.0 97.23 3.36 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.012 0.525 . . . . 0.0 109.706 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.39 142.59 44.74 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.805 1.242 . . . . 0.0 111.635 -171.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -80.92 166.8 20.54 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.583 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.14 141.72 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 O-C-N 122.052 -0.405 . . . . 0.0 111.574 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 0.01 88.86 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 123.673 0.654 . . . . 0.0 113.764 -175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.89 173.87 8.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.561 1.18 . . . . 0.0 111.92 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -139.99 159.75 41.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.485 0.714 . . . . 0.0 112.014 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -151.25 154.39 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 126.756 2.022 . . . . 0.0 108.469 -168.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.97 149.77 49.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.6 mt -137.17 139.29 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.78 1.232 . . . . 0.0 109.179 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.53 -137.13 50.11 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -129.48 10.08 5.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.104 0.962 . . . . 0.0 112.144 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -131.14 -5.05 3.88 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.03 135.89 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 119.375 0.989 . . . . 0.0 110.823 -174.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 44.3 m -129.48 144.41 51.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.439 1.095 . . . . 0.0 110.078 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -126.89 138.18 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.025 1.33 . . . . 0.0 108.678 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -132.5 134.11 44.61 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.453 0.701 . . . . 0.0 110.037 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -89.11 108.83 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.02 -29.26 58.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 110.96 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -170.33 33.34 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.736 0.684 . . . . 0.0 112.902 170.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.06 158.84 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.491 0.646 . . . . 0.0 112.212 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.5 p -149.13 97.03 2.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.802 1.241 . . . . 0.0 109.22 169.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.41 -122.32 17.66 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -89.07 -17.2 29.79 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.18 0.49 . . . . 0.0 112.02 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.88 141.76 51.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.61 0.764 . . . . 0.0 109.177 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -134.16 115.46 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -85.44 122.57 29.77 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.69 135.49 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.733 0.813 . . . . 0.0 110.288 -168.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.53 143.28 15.65 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.449 1.023 . . . . 0.0 111.607 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.96 136.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.064 1.346 . . . . 0.0 109.077 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -136.9 99.01 3.91 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.779 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.31 155.28 78.84 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.657 1.183 . . . . 0.0 110.52 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.6 158.47 36.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.86 2.373 . . . . 0.0 112.057 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -73.21 -0.96 15.84 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.378 0.671 . . . . 0.0 112.744 173.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.62 -17.94 64.21 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.097 1.359 . . . . 0.0 112.34 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.55 162.45 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.066 0.947 . . . . 0.0 110.862 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.87 156.39 16.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -155.05 125.58 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.308 0.643 . . . . 0.0 110.466 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -150.35 168.16 24.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.227 1.011 . . . . 0.0 110.048 174.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 26.9 ptt85 -78.81 165.25 23.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.732 -0.605 . . . . 0.0 110.364 170.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.16 -25.47 65.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.933 0.493 . . . . 0.0 112.056 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -65.89 -45.1 83.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.038 0.935 . . . . 0.0 112.343 175.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -85.29 -30.34 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.3 0.64 . . . . 0.0 110.336 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.36 -32.52 57.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.128 0.971 . . . . 0.0 112.374 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.88 -23.86 61.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.422 0.689 . . . . 0.0 112.699 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -72.2 -22.97 61.19 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 123.272 0.629 . . . . 0.0 110.84 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -96.09 -46.49 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 124.006 0.922 . . . . 0.0 109.66 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 174.583 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.74 149.09 24.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.885 0.474 . . . . 0.0 111.67 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.27 139.61 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.919 0.888 . . . . 0.0 109.048 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.4 164.78 27.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.786 1.235 . . . . 0.0 110.115 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.76 97.44 4.83 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 169.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.02 137.93 42.02 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.788 1.635 . . . . 0.0 109.677 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -102.55 167.38 9.96 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 120.176 1.353 . . . . 0.0 113.645 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -55.98 135.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.526 -171.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -0.58 78.35 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.135 0.874 . . . . 0.0 114.141 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -98.91 170.52 8.68 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.524 1.162 . . . . 0.0 111.246 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -136.06 158.22 44.93 Favored 'General case' 0 C--N 1.338 0.077 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -169.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 66.0 mt -138.03 158.06 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 126.421 1.888 . . . . 0.0 108.587 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -131.54 147.48 52.54 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.109 0.964 . . . . 0.0 111.967 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -135.81 140.61 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.358 1.063 . . . . 0.0 109.059 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 -135.74 51.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.74 10.0 5.51 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.965 0.906 . . . . 0.0 112.341 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -130.85 -12.6 3.72 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.02 136.22 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.064 0.847 . . . . 0.0 110.743 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 56.7 m -129.72 144.37 51.26 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.58 1.152 . . . . 0.0 110.145 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -124.74 141.97 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.688 1.595 . . . . 0.0 108.394 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -139.08 132.63 30.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.034 0.534 . . . . 0.0 110.192 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . 0.404 HG22 ' H ' ' F' ' 22' ' ' ILE . 2.0 tp -87.27 109.42 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -81.13 -28.5 35.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.432 0.693 . . . . 0.0 111.429 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.43 -172.69 35.43 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.594 0.616 . . . . 0.0 112.727 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.85 153.06 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.118 0.567 . . . . 0.0 111.41 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -140.46 89.89 2.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.66 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.53 -126.46 30.28 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -171.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.02 -17.94 54.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 173.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.74 146.42 44.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.518 0.675 . . . . 0.0 110.758 173.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.09 120.58 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -90.44 125.44 35.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.99 0.916 . . . . 0.0 108.87 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.48 144.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.609 0.764 . . . . 0.0 110.522 -167.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.55 141.17 14.39 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.357 0.979 . . . . 0.0 111.352 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.7 137.71 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.695 1.198 . . . . 0.0 109.65 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.4 108.35 10.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.745 1.218 . . . . 0.0 109.118 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.33 158.84 74.72 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.878 0.871 . . . . 0.0 111.303 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 160.87 32.74 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 122.68 2.253 . . . . 0.0 112.13 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.4 -12.7 45.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -72.44 -12.74 61.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.175 1.39 . . . . 0.0 112.529 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m -130.4 167.33 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 124.117 0.967 . . . . 0.0 111.033 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.78 162.91 13.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.892 0.877 . . . . 0.0 111.262 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.13 126.32 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.337 0.655 . . . . 0.0 110.623 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -153.15 173.26 15.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.269 1.028 . . . . 0.0 109.993 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -71.65 157.3 38.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 167.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.45 -16.38 62.33 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.16 -47.29 85.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.698 0.799 . . . . 0.0 111.457 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -82.48 -28.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.898 0.479 . . . . 0.0 110.222 -173.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.46 -33.26 65.74 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.61 0.764 . . . . 0.0 112.441 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.33 -23.17 61.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.262 0.625 . . . . 0.0 112.514 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.81 -22.93 58.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.307 0.643 . . . . 0.0 110.974 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.453 -0.324 0 C-N-CA 123.909 0.884 . . . . 0.0 110.334 -169.289 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.63 114.15 25.78 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.442 0.697 . . . . 0.0 109.813 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.14 136.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.527 0.731 . . . . 0.0 109.261 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.4 mt -132.04 159.35 39.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.137 0.975 . . . . 0.0 109.57 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.4 m -120.1 100.89 7.47 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.83 133.78 54.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.387 0.675 . . . . 0.0 110.736 -168.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -98.01 155.69 16.99 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -48.4 126.64 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.53 0.732 . . . . 0.0 110.815 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.96 -1.86 74.98 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.563 1.078 . . . . 0.0 114.232 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -98.33 168.97 9.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.75 1.275 . . . . 0.0 111.328 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -134.12 151.44 51.37 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -168.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.7 mm -112.74 156.7 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 126.092 1.757 . . . . 0.0 109.772 170.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -129.86 141.28 50.84 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.501 1.121 . . . . 0.0 110.579 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -135.27 131.11 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.384 1.074 . . . . 0.0 109.582 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.08 -128.28 25.4 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -128.75 1.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.986 0.914 . . . . 0.0 111.852 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -147.14 -3.56 0.57 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.61 135.31 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 119.351 0.978 . . . . 0.0 110.589 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -130.76 145.31 51.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.903 0.881 . . . . 0.0 109.629 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -126.89 144.25 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.896 1.278 . . . . 0.0 108.448 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.3 m -137.26 134.57 36.31 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.568 0.622 . . . . 0.0 110.638 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.97 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.06 -28.96 67.0 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.95 -0.469 . . . . 0.0 110.145 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.39 -167.93 40.2 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 117.753 0.251 . . . . 0.0 113.094 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 155.0 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.764 0.826 . . . . 0.0 111.235 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . 58.7 m -130.45 60.97 1.61 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 110.29 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 -124.0 6.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -171.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -76.4 4.11 9.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.731 0.812 . . . . 0.0 111.659 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 83.4 mt-30 -98.91 163.38 12.62 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.214 1.006 . . . . 0.0 112.391 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.76 129.45 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.91 1.684 . . . . 0.0 108.556 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HG2' HG23 ' B' ' 5' ' ' THR . 47.6 mtm-85 -111.14 101.93 10.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.112 0.965 . . . . 0.0 110.188 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.96 128.38 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.402 1.481 . . . . 0.0 109.459 -172.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.62 140.72 15.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 169.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -115.09 134.14 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.343 1.457 . . . . 0.0 108.32 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -124.85 74.89 1.38 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.384 1.074 . . . . 0.0 108.953 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.15 154.67 41.93 Favored Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 125.235 1.414 . . . . 0.0 110.625 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.08 157.01 47.04 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.716 2.277 . . . . 0.0 110.535 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -70.2 -1.8 11.28 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.35 -22.62 61.88 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.967 0.907 . . . . 0.0 111.881 169.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.5 144.09 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.885 0.85 . . . . 0.0 111.67 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 142.89 27.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.837 0.855 . . . . 0.0 110.762 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -133.78 127.59 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.974 0.509 . . . . 0.0 110.521 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -153.47 166.45 32.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.022 0.929 . . . . 0.0 110.061 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -97.47 163.55 12.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 170.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.16 -32.46 71.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.083 0.953 . . . . 0.0 112.287 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.71 -13.91 60.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.161 0.984 . . . . 0.0 112.734 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.77 -26.99 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.977 1.311 . . . . 0.0 111.215 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.0 -30.95 71.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.282 -0.886 . . . . 0.0 110.582 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.06 -16.71 61.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.915 0.886 . . . . 0.0 111.898 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -78.55 -30.17 46.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.198 0.999 . . . . 0.0 111.255 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.462 HG22 HE21 ' A' ' 52' ' ' GLN . 74.1 mt -71.92 -53.05 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.976 0.911 . . . . 0.0 109.404 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.462 HE21 HG22 ' A' ' 51' ' ' ILE . 86.9 mm-40 . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 123.917 0.887 . . . . 0.0 111.652 -175.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 119.498 -0.287 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.34 121.65 43.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 168.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.4 mt -117.11 141.11 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -165.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -135.16 137.86 43.13 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.866 1.266 . . . . 0.0 110.941 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.557 HG23 ' HG2' ' A' ' 31' ' ' ARG . 95.8 m -119.62 106.53 12.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 108.963 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -123.8 173.05 8.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.626 1.57 . . . . 0.0 109.421 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 21.6 pttm -110.35 171.64 7.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.526 0.603 . . . . 0.0 112.59 175.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -63.01 136.5 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 121.248 0.547 . . . . 0.0 110.959 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.45 78.47 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.252 -0.749 . . . . 0.0 114.173 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.39 162.64 14.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.648 1.224 . . . . 0.0 111.912 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -130.43 152.76 49.48 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.455 0.702 . . . . 0.0 112.789 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.0 mt -141.02 157.21 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.866 1.666 . . . . 0.0 109.919 -173.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.92 145.24 41.84 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.61 0.764 . . . . 0.0 112.307 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 128.63 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.47 1.108 . . . . 0.0 109.618 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.07 52.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -126.53 4.35 6.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.495 0.718 . . . . 0.0 112.311 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -115.68 -14.08 11.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.866 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.09 135.58 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.141 0.882 . . . . 0.0 111.272 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.1 m -130.81 147.15 52.43 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.914 1.286 . . . . 0.0 109.739 171.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -127.2 143.23 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.731 1.612 . . . . 0.0 108.4 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -138.47 130.75 28.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.752 0.421 . . . . 0.0 109.905 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.65 106.12 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.11 -31.63 58.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.169 -0.332 . . . . 0.0 110.811 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.62 178.88 35.92 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.6 155.12 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -132.14 74.68 1.6 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.651 1.18 . . . . 0.0 108.52 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.74 -120.48 6.03 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.96 6.33 48.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.349 0.66 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -98.84 154.33 18.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.938 0.895 . . . . 0.0 109.759 170.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 t -139.23 115.12 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -170.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.36 115.2 21.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.492 1.117 . . . . 0.0 109.912 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.03 130.22 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.508 1.123 . . . . 0.0 109.581 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.9 139.28 14.48 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.6 mt -124.84 131.41 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.864 0.866 . . . . 0.0 108.908 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -131.05 82.5 2.05 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.454 -168.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.35 157.3 76.64 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.841 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.411 ' O ' HG22 ' B' ' 40' ' ' VAL . 35.7 Cg_endo -60.47 157.14 37.74 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.682 1.588 . . . . 0.0 110.168 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.54 -0.78 18.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 122.164 0.983 . . . . 0.0 111.895 173.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.83 -16.84 64.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.928 1.691 . . . . 0.0 111.414 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 37' ' ' PRO . 15.3 m -120.28 144.12 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.807 1.243 . . . . 0.0 109.644 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.64 27.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.406 0.622 . . . . 0.0 111.53 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 t -143.75 97.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.557 -166.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.82 165.5 28.69 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.213 1.005 . . . . 0.0 111.164 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 34.3 ptt-85 -70.39 160.62 31.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.387 0.275 . . . . 0.0 111.529 169.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -58.5 -40.13 81.99 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.851 -0.531 . . . . 0.0 112.331 -173.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.1 0.66 5.74 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -109.03 -50.69 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.426 1.09 . . . . 0.0 109.74 170.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -50.69 -37.25 40.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.009 1.324 . . . . 0.0 112.278 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.55 -19.61 63.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -175.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -82.68 -38.59 23.19 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.704 0.684 . . . . 0.0 110.842 169.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.455 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.8 mt -66.07 -38.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.302 0.641 . . . . 0.0 109.371 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.455 ' NE2' HG22 ' B' ' 51' ' ' ILE . 34.3 mm-40 -79.07 5.11 12.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 172.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -88.8 -9.37 52.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.59 41.29 0.17 Allowed Glycine 0 C--N 1.339 0.712 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.823 169.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -168.74 -175.09 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.078 0.939 . . . . 0.0 112.993 -168.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . 0.439 HG22 ' H ' ' B' ' 57' ' ' ALA . 10.5 m -126.53 173.38 9.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.418 1.487 . . . . 0.0 108.318 167.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.439 ' H ' HG22 ' B' ' 56' ' ' THR . . . -35.86 124.39 0.67 Allowed Pre-proline 0 N--CA 1.454 -0.247 0 C-N-CA 124.761 1.224 . . . . 0.0 111.835 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -61.08 -178.76 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.693 2.929 . . . . 0.0 113.565 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 123.861 0.864 . . . . 0.0 112.909 -179.048 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.62 106.28 13.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 167.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.39 137.13 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 124.283 1.033 . . . . 0.0 109.743 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -133.11 140.06 47.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.613 1.165 . . . . 0.0 110.226 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -101.02 143.31 31.31 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -139.14 140.8 38.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.439 0.696 . . . . 0.0 110.271 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -76.13 157.24 33.03 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 168.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.2 134.68 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 O-C-N 121.375 -0.828 . . . . 0.0 111.538 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.5 -1.47 87.27 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.639 1.114 . . . . 0.0 113.854 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -86.26 173.17 9.93 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.211 1.506 . . . . 0.0 111.774 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -135.15 157.24 47.43 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -166.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -138.38 157.17 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 127.391 2.277 . . . . 0.0 109.074 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -130.92 146.65 52.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 125.209 1.404 . . . . 0.0 111.41 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -135.17 132.7 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.111 0.964 . . . . 0.0 109.814 174.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -134.44 51.32 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -130.07 10.12 5.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.006 0.922 . . . . 0.0 111.843 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -123.9 -9.9 7.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.432 1.093 . . . . 0.0 113.064 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.39 138.0 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.909 0.777 . . . . 0.0 110.909 -172.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 14.7 m -132.84 147.0 52.3 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.269 1.027 . . . . 0.0 109.656 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -129.22 140.74 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.094 1.358 . . . . 0.0 108.857 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -133.69 132.43 40.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.939 0.496 . . . . 0.0 110.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.404 HD11 HG13 ' C' ' 30' ' ' VAL . 0.1 OUTLIER -92.69 112.51 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 169.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.5 mt -84.67 -43.8 14.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.683 -0.636 . . . . 0.0 110.321 -170.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.05 -177.63 47.72 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.443 -0.408 . . . . 0.0 113.242 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.96 150.58 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 123.159 0.583 . . . . 0.0 111.079 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -140.53 106.64 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.83 1.252 . . . . 0.0 108.078 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -119.89 15.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -169.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -97.87 -7.29 30.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.789 0.835 . . . . 0.0 113.004 171.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -74.57 151.76 39.38 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.695 0.759 . . . . 0.0 110.926 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.404 HG13 HD11 ' C' ' 22' ' ' ILE . 38.6 t -133.64 114.36 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -77.82 112.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -117.14 132.44 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 125.141 1.376 . . . . 0.0 109.097 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.21 142.25 15.54 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 124.353 0.978 . . . . 0.0 112.253 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 1' ' ' MET . 72.7 mt -126.2 126.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 108.862 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -120.29 101.58 7.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.402 0.681 . . . . 0.0 110.039 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.86 156.98 72.47 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.979 0.911 . . . . 0.0 110.665 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.83 153.97 72.47 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.105 2.537 . . . . 0.0 111.51 172.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -67.47 -0.69 3.95 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.71 -21.64 66.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.19 0.996 . . . . 0.0 111.258 168.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -126.25 147.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.449 1.099 . . . . 0.0 110.496 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.28 19.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.036 -0.415 . . . . 0.0 111.243 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -135.69 131.82 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.006 0.523 . . . . 0.0 109.79 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -153.34 157.13 39.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.532 0.733 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -66.26 152.9 43.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.22 -27.71 69.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.23 0.923 . . . . 0.0 111.629 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.76 -26.22 66.01 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.849 0.86 . . . . 0.0 113.217 173.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.55 -29.69 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.116 0.966 . . . . 0.0 110.638 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.14 -41.94 80.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.187 -0.946 . . . . 0.0 111.124 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.07 -25.54 67.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.319 0.648 . . . . 0.0 112.473 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.64 -38.68 62.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.567 0.747 . . . . 0.0 111.565 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.455 -0.176 0 CA-C-N 118.565 0.621 . . . . 0.0 110.395 172.847 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.604 ' HG2' HD11 ' D' ' 3' ' ' ILE 0.292 4.0 tpp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -125.47 104.69 8.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.587 2.355 . . . . 0.0 107.905 169.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.604 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -94.51 143.82 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.532 1.533 . . . . 0.0 110.268 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.72 164.44 29.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.707 1.603 . . . . 0.0 111.593 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.16 114.77 24.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.884 0.873 . . . . 0.0 108.857 165.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.499 ' HG3' HD11 ' D' ' 12' ' ' ILE . 1.0 OUTLIER -118.67 144.08 46.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.599 0.36 . . . . 0.0 110.218 169.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -91.22 164.88 13.73 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 123.032 0.207 . . . . 0.0 111.125 173.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -55.51 140.86 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.067 0.46 . . . . 0.0 111.765 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 -1.16 89.06 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.134 0.873 . . . . 0.0 114.067 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -90.59 171.26 9.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.756 1.278 . . . . 0.0 112.494 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -137.08 161.01 37.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.717 0.807 . . . . 0.0 112.46 -169.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' D' ' 6' ' ' ARG . 12.3 mt -152.41 157.83 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 C-N-CA 127.29 2.236 . . . . 0.0 108.635 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -134.39 149.26 50.79 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.904 1.282 . . . . 0.0 111.485 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -134.22 137.55 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.168 1.387 . . . . 0.0 108.927 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -134.78 52.23 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -125.12 4.74 7.88 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.735 0.814 . . . . 0.0 112.053 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.78 -5.02 2.48 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -172.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.47 136.28 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 118.803 0.729 . . . . 0.0 110.427 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 28.9 m -129.75 143.17 50.69 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.531 1.133 . . . . 0.0 109.598 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 mm -126.48 140.33 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.65 1.18 . . . . 0.0 108.612 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -133.45 130.97 39.36 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.627 0.771 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.27 106.03 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.37 -30.56 47.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.366 0.667 . . . . 0.0 110.623 -171.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -179.23 40.13 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 112.616 -0.194 . . . . 0.0 112.616 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -108.03 159.8 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.027 0.442 . . . . 0.0 110.353 168.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -141.13 79.7 1.7 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.503 1.121 . . . . 0.0 108.581 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -111.76 3.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -96.78 -9.57 28.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.01 0.924 . . . . 0.0 110.934 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.76 153.52 24.08 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.813 0.816 . . . . 0.0 111.405 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.33 120.22 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -94.35 110.32 22.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.221 1.008 . . . . 0.0 108.732 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.28 127.25 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.79 0.836 . . . . 0.0 109.699 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.81 134.7 12.31 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.74 142.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.763 0.825 . . . . 0.0 108.883 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -138.03 106.44 5.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.462 0.705 . . . . 0.0 109.351 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.58 156.43 74.81 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 124.402 1.081 . . . . 0.0 109.623 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.25 151.38 82.6 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.242 1.961 . . . . 0.0 110.757 170.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -70.16 -1.04 8.96 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.9 -20.72 65.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.873 1.269 . . . . 0.0 111.467 168.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -127.02 160.02 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.633 1.173 . . . . 0.0 110.705 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.13 16.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.93 126.37 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 O-C-N 121.878 -0.514 . . . . 0.0 109.912 168.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -149.57 166.44 29.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.853 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.85 158.75 24.27 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.71 -34.74 73.3 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.914 0.779 . . . . 0.0 110.718 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -48.05 -39.8 21.1 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 125.335 1.454 . . . . 0.0 112.555 170.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -98.5 -36.06 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.775 1.23 . . . . 0.0 110.538 -169.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.76 -40.51 75.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.167 0.587 . . . . 0.0 110.638 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.1 -20.98 66.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.947 0.899 . . . . 0.0 112.664 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 6.7 mtt180 -83.8 -39.49 19.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.414 1.086 . . . . 0.0 112.039 170.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.099 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 119.421 -0.323 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.94 136.24 53.11 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.214 0.606 . . . . 0.0 110.566 176.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mm -115.66 125.21 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.484 1.114 . . . . 0.0 109.12 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.39 155.37 33.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.886 1.674 . . . . 0.0 110.097 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -136.12 112.12 9.62 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 165.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -132.53 141.28 48.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.464 1.106 . . . . 0.0 110.292 -170.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -89.38 172.05 9.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -60.7 139.27 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.016 0.436 . . . . 0.0 111.845 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.6 -3.01 87.4 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.155 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -83.96 171.69 12.77 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.9 1.35 . . . . 0.0 111.728 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.92 156.67 47.63 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.755 0.822 . . . . 0.0 112.219 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -141.95 156.39 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 125.998 1.719 . . . . 0.0 108.265 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -136.33 149.73 48.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.322 -0.861 . . . . 0.0 112.919 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.8 mt -136.84 141.03 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.668 1.187 . . . . 0.0 109.007 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -138.54 48.13 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -126.5 10.06 7.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.311 173.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -133.56 -5.39 2.9 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.84 135.77 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.375 0.988 . . . . 0.0 110.933 -173.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -128.3 146.4 50.77 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.38 1.072 . . . . 0.0 110.384 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -126.45 140.52 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.919 1.688 . . . . 0.0 108.22 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 42.1 m -136.6 132.28 34.9 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.133 0.573 . . . . 0.0 109.951 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -86.14 109.91 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.32 -28.26 47.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.921 0.489 . . . . 0.0 110.862 -175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.05 -172.89 33.39 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 123.405 0.526 . . . . 0.0 113.463 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -119.94 158.83 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 123.617 0.767 . . . . 0.0 112.05 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.1 p -148.47 89.98 1.75 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.94 1.296 . . . . 0.0 109.409 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.32 -112.04 3.97 Favored Glycine 0 CA--C 1.525 0.712 0 O-C-N 121.48 -0.763 . . . . 0.0 111.63 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -93.7 -19.25 21.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.676 0.738 . . . . 0.0 111.636 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.31 146.23 47.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.457 0.646 . . . . 0.0 110.197 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.63 115.23 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -85.96 124.26 32.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -131.0 135.88 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.609 0.764 . . . . 0.0 110.255 -168.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.09 146.15 16.03 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.675 1.131 . . . . 0.0 111.729 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.2 mt -136.59 134.89 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.211 1.404 . . . . 0.0 108.834 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -135.64 101.16 4.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.98 155.63 76.19 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.773 1.229 . . . . 0.0 110.407 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.92 158.53 42.62 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.934 2.422 . . . . 0.0 111.901 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -73.8 -0.95 17.35 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 172.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.82 -19.52 65.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.561 1.145 . . . . 0.0 111.702 168.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.48 161.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.352 1.061 . . . . 0.0 110.736 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.18 157.36 15.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . 0.415 HG13 HD12 ' F' ' 2' ' ' LEU . 0.3 OUTLIER -154.95 126.96 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 110.474 169.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -151.49 175.48 12.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.421 1.088 . . . . 0.0 110.212 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -72.9 162.91 28.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.882 -0.511 . . . . 0.0 110.218 169.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -63.84 -22.46 66.93 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.532 0.333 . . . . 0.0 111.526 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.24 -40.37 77.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.971 1.309 . . . . 0.0 111.417 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.05 -33.69 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.674 0.789 . . . . 0.0 110.218 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -53.91 -38.17 64.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.057 0.943 . . . . 0.0 112.288 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.11 -21.87 64.12 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.043 0.937 . . . . 0.0 112.892 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -83.74 -46.07 12.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.38 -22.97 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.828 0.851 . . . . 0.0 111.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 167.923 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 111.06 0.022 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . 0.415 HD12 HG13 ' E' ' 42' ' ' VAL . 6.9 mt -98.15 148.23 23.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 111.547 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.57 138.46 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.593 0.757 . . . . 0.0 109.417 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.57 165.02 26.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.872 1.269 . . . . 0.0 110.296 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.16 102.94 7.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 168.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.421 ' HA ' ' CZ ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -108.3 134.82 50.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 125.387 1.475 . . . . 0.0 110.943 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.51 165.91 11.77 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 119.438 1.017 . . . . 0.0 113.571 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.1 m -57.36 136.27 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.508 -170.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.15 78.82 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.247 0.927 . . . . 0.0 113.795 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.6 168.33 9.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.667 1.233 . . . . 0.0 111.621 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.3 m -132.74 159.61 39.2 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 59.0 mt -138.56 159.06 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 127.24 2.216 . . . . 0.0 107.752 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -135.14 152.11 51.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.266 -0.896 . . . . 0.0 112.66 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.9 mt -137.12 143.51 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.694 1.198 . . . . 0.0 108.891 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.96 -136.36 51.3 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -125.63 10.04 7.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.283 1.033 . . . . 0.0 111.778 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.83 -9.69 1.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.21 136.25 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.019 0.827 . . . . 0.0 110.561 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -128.72 142.2 51.08 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.482 1.113 . . . . 0.0 110.229 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -124.07 142.94 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.613 1.565 . . . . 0.0 108.285 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 28.9 m -139.1 131.44 28.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.014 0.526 . . . . 0.0 110.084 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.9 115.69 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -88.55 -28.0 21.03 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 121.689 -0.632 . . . . 0.0 111.431 -171.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.78 -178.44 34.08 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 123.262 0.458 . . . . 0.0 113.251 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.9 157.34 35.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 CA-C-N 117.273 0.536 . . . . 0.0 112.136 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -150.04 100.75 2.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.565 1.146 . . . . 0.0 109.379 169.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.77 -108.01 2.36 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.871 -0.518 . . . . 0.0 111.888 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -101.24 -18.75 15.99 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.426 0.613 . . . . 0.0 111.84 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -72.16 144.12 48.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.561 0.696 . . . . 0.0 110.289 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.85 116.75 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -86.95 129.67 34.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.622 0.769 . . . . 0.0 109.299 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.61 146.82 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.576 1.15 . . . . 0.0 110.322 -167.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.91 140.91 15.53 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.467 1.032 . . . . 0.0 111.22 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.17 133.06 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.303 1.041 . . . . 0.0 109.238 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -134.98 105.79 6.53 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.307 0.643 . . . . 0.0 109.661 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.39 158.49 75.08 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.06 0.944 . . . . 0.0 111.448 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -64.99 162.37 32.82 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.031 2.487 . . . . 0.0 112.459 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.05 -4.67 26.21 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.493 0.717 . . . . 0.0 112.61 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.55 -18.12 63.63 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.867 1.267 . . . . 0.0 112.514 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.03 168.01 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.986 0.914 . . . . 0.0 111.275 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.57 162.59 12.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.628 0.771 . . . . 0.0 111.885 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.01 117.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.639 0.776 . . . . 0.0 110.561 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -154.46 173.58 16.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.91 0.884 . . . . 0.0 110.548 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -79.81 164.11 23.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.836 -0.54 . . . . 0.0 110.281 168.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.05 0.54 . . . . 0.0 112.366 -172.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.24 -45.56 90.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.018 0.927 . . . . 0.0 111.44 174.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.45 -28.72 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.616 0.766 . . . . 0.0 110.009 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.52 -37.69 58.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.868 0.867 . . . . 0.0 112.326 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -60.94 -25.26 66.67 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.666 1.186 . . . . 0.0 113.079 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -75.15 -22.43 58.14 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 127.122 2.169 . . . . 0.0 112.548 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 16.5 mt . . . . . 0 N--CA 1.455 -0.2 0 C-N-CA 124.625 1.17 . . . . 0.0 113.418 -168.698 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 119.16 -0.448 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.47 112.81 24.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.751 0.82 . . . . 0.0 109.781 -175.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.01 136.5 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.794 0.838 . . . . 0.0 109.484 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt -132.23 161.11 34.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.303 1.041 . . . . 0.0 110.101 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.0 m -124.64 100.93 6.87 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.131 0.972 . . . . 0.0 108.484 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -113.39 135.14 54.19 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.592 0.757 . . . . 0.0 109.999 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -98.43 159.08 15.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.298 0.499 . . . . 0.0 110.172 -176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.44 HG13 ' HA2' ' A' ' 24' ' ' GLY . 68.5 t -46.98 129.83 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.58 0.752 . . . . 0.0 111.044 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.13 3.94 67.19 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.034 0.826 . . . . 0.0 114.185 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -111.74 169.38 8.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.346 1.073 . . . . 0.0 111.097 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 m -134.6 152.97 52.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 8.0 mm -113.36 155.61 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 125.955 1.702 . . . . 0.0 110.058 169.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -129.25 138.56 51.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.258 1.023 . . . . 0.0 110.706 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -133.01 130.36 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.089 0.956 . . . . 0.0 109.675 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.59 -130.02 28.28 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.07 -2.61 7.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.926 0.89 . . . . 0.0 112.46 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.34 -21.47 2.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -169.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.18 137.48 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 118.817 0.735 . . . . 0.0 110.342 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -136.64 144.73 44.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.692 0.797 . . . . 0.0 109.396 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -127.63 140.12 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.419 1.087 . . . . 0.0 108.307 -176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -135.6 134.12 38.98 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.543 0.61 . . . . 0.0 110.402 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -84.78 97.42 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -23.91 61.6 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.94 -0.475 . . . . 0.0 110.351 -176.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.44 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 167.77 -173.33 42.74 Favored Glycine 0 C--N 1.339 0.699 0 CA-C-N 118.336 0.516 . . . . 0.0 113.785 168.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.67 157.99 43.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 123.866 0.866 . . . . 0.0 112.067 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -145.3 62.14 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.566 1.546 . . . . 0.0 110.033 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.88 -117.69 5.78 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.85 -15.0 62.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.271 0.628 . . . . 0.0 111.104 173.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -98.92 153.76 18.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.346 0.593 . . . . 0.0 111.957 -176.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -139.49 117.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.467 1.507 . . . . 0.0 109.053 -168.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.16 101.9 13.92 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 121.947 -0.471 . . . . 0.0 110.54 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.9 mt -109.41 132.11 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.721 1.208 . . . . 0.0 109.694 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 137.03 13.51 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.931 0.776 . . . . 0.0 111.327 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.0 mt -109.93 131.0 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.164 1.385 . . . . 0.0 108.47 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -118.8 74.92 0.99 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.644 1.177 . . . . 0.0 109.506 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.41 152.83 44.18 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.74 171.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.6 155.79 49.69 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.569 2.179 . . . . 0.0 110.555 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -69.58 -3.9 16.88 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.04 -23.82 64.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.773 0.829 . . . . 0.0 111.768 169.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -116.1 144.02 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 122.074 0.94 . . . . 0.0 111.688 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.11 142.63 32.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.0 0.92 . . . . 0.0 110.591 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 m -134.2 130.8 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.734 0.414 . . . . 0.0 110.295 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -151.95 160.63 43.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.585 0.754 . . . . 0.0 110.885 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 164.73 15.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.231 168.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.95 -26.87 66.17 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -167.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -75.75 -1.74 26.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.712 -0.617 . . . . 0.0 111.747 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.92 -33.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.121 0.968 . . . . 0.0 111.596 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -59.46 -33.35 71.18 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.37 0.986 . . . . 0.0 110.664 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.64 -13.5 59.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.516 0.726 . . . . 0.0 112.156 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -79.63 -34.04 40.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.77 0.828 . . . . 0.0 111.098 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.591 HG22 HE21 ' A' ' 52' ' ' GLN . 50.6 mt -65.48 -50.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 0.0 109.05 172.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.591 HE21 HG22 ' A' ' 51' ' ' ILE . 78.2 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 123.405 0.682 . . . . 0.0 112.108 -174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.92 116.56 32.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.62 140.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.989 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt -135.61 136.11 40.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.383 1.073 . . . . 0.0 109.058 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.3 m -98.04 100.71 12.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.415 ' HE ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 tpm_? -95.95 172.99 7.66 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.604 1.561 . . . . 0.0 108.734 -168.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -127.27 160.69 30.54 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.425 1.011 . . . . 0.0 111.405 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -58.61 129.47 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 121.59 0.709 . . . . 0.0 111.307 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.28 -7.28 66.46 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-N 115.054 -0.976 . . . . 0.0 114.508 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . 0.415 ' CD ' ' HE ' ' B' ' 6' ' ' ARG . 29.9 mt-10 -79.86 166.08 22.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.81 1.305 . . . . 0.0 111.26 169.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -131.7 157.71 43.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.799 0.839 . . . . 0.0 112.114 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 mt -134.04 155.57 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 126.168 1.787 . . . . 0.0 108.712 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -138.31 140.25 39.47 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.689 0.795 . . . . 0.0 110.403 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.5 mt -134.16 127.99 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.162 0.985 . . . . 0.0 109.605 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -132.37 52.49 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.19 5.06 5.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.7 0.8 . . . . 0.0 112.917 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -116.98 -19.32 9.84 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.86 137.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 119.135 0.879 . . . . 0.0 111.345 -169.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.17 150.9 51.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.834 1.254 . . . . 0.0 109.763 169.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -130.59 144.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.177 1.791 . . . . 0.0 107.923 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -135.58 130.38 34.38 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.73 0.412 . . . . 0.0 110.009 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.29 92.21 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.11 -33.66 76.55 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.019 -0.425 . . . . 0.0 111.085 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.76 -178.42 39.24 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 112.338 -0.305 . . . . 0.0 112.338 171.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.22 146.96 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.114 0.483 . . . . 0.0 109.796 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -122.75 77.68 1.46 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 170.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -119.69 4.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.67 10.01 41.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.228 -0.572 . . . . 0.0 111.057 172.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.97 154.1 18.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.954 0.902 . . . . 0.0 109.966 170.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.12 113.65 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -170.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -86.03 118.34 25.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.861 1.264 . . . . 0.0 109.492 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -128.63 129.37 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.245 1.018 . . . . 0.0 109.533 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.09 137.92 13.78 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -120.93 129.97 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.909 0.861 . . . . 0.0 109.242 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -130.29 75.0 1.63 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.393 -168.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.22 157.99 54.24 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.679 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.1 157.29 40.09 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.06 1.84 . . . . 0.0 111.373 169.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -68.68 -0.83 5.73 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.19 0.996 . . . . 0.0 112.178 169.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.89 -28.49 68.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.512 1.525 . . . . 0.0 111.32 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.3 144.19 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.527 1.131 . . . . 0.0 109.997 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 142.17 29.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 111.258 169.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.52 98.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.639 -166.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.64 158.2 43.88 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.267 0.556 . . . . 0.0 111.845 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 4.9 ptt85 -64.66 154.52 36.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.339 0.656 . . . . 0.0 111.617 169.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -55.42 -41.77 73.24 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.25 0.62 . . . . 0.0 112.232 -171.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.86 -23.58 63.53 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -89.32 -50.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.175 0.99 . . . . 0.0 110.501 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.21 -35.98 39.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.857 1.263 . . . . 0.0 112.175 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.33 -22.61 62.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.4 mpt_? -77.76 -41.37 37.77 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 119.175 0.898 . . . . 0.0 109.957 169.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.515 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.4 mt -64.41 -39.85 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.348 0.659 . . . . 0.0 109.314 -173.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.515 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.4 mm-40 -80.59 4.74 17.54 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 174.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.07 -19.3 47.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.118 0.567 . . . . 0.0 111.539 168.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.33 48.55 0.09 OUTLIER Glycine 0 CA--C 1.526 0.724 0 C-N-CA 123.469 0.557 . . . . 0.0 113.851 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.8 -176.42 2.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.674 0.737 . . . . 0.0 112.518 -168.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.5 p -128.46 -178.23 4.49 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.157 1.383 . . . . 0.0 109.829 168.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.92 120.99 2.33 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -52.25 -46.54 32.1 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.757 2.971 . . . . 0.0 113.341 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.451 -0.421 0 C-N-CA 123.903 0.881 . . . . 0.0 110.408 -173.12 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.42 109.42 21.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -175.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.3 129.01 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.27 134.95 55.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.423 0.689 . . . . 0.0 109.257 168.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.4 p -87.0 143.64 27.25 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 168.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.11 133.02 20.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -77.45 150.14 35.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.619 1.168 . . . . 0.0 109.734 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.87 137.69 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 O-C-N 121.922 -0.486 . . . . 0.0 111.913 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.27 -4.03 76.8 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 124.539 1.066 . . . . 0.0 114.039 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -99.48 170.18 8.8 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.118 1.459 . . . . 0.0 112.35 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -124.2 159.29 30.45 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.44 154.74 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 127.592 2.357 . . . . 0.0 108.157 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -128.02 149.12 50.51 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.159 -0.963 . . . . 0.0 111.612 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.21 131.33 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.627 1.171 . . . . 0.0 109.295 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -137.62 49.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.46 9.97 7.25 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.392 170.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -121.29 -13.42 8.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.046 0.938 . . . . 0.0 113.301 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.27 133.21 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.824 0.738 . . . . 0.0 110.88 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -120.16 142.89 48.55 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.916 0.886 . . . . 0.0 109.758 172.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 mm -120.31 140.96 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.034 1.334 . . . . 0.0 108.38 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.98 129.27 25.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.723 -0.611 . . . . 0.0 110.74 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -83.23 104.77 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -83.89 -33.42 24.77 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.878 -0.513 . . . . 0.0 109.898 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.97 -170.86 42.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 113.758 0.263 . . . . 0.0 113.758 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.58 153.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.643 0.777 . . . . 0.0 110.807 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -140.79 97.45 3.2 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.562 1.145 . . . . 0.0 108.294 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.94 -119.14 12.63 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -169.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.4 -4.15 38.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.13 0.972 . . . . 0.0 112.327 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -81.66 152.89 26.9 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.158 0.504 . . . . 0.0 110.063 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -130.24 120.63 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -78.21 110.61 13.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mt -114.53 131.83 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.848 1.259 . . . . 0.0 109.386 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.88 141.48 15.23 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.645 1.116 . . . . 0.0 112.092 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 mt -133.65 119.89 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.964 1.306 . . . . 0.0 107.836 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -125.96 99.05 5.76 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.156 -0.34 . . . . 0.0 110.335 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.54 158.43 53.91 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.012 . . . . 0.0 110.638 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.65 152.38 78.3 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.007 2.471 . . . . 0.0 111.529 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.63 -0.88 2.28 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 172.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.07 -22.91 66.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.255 1.022 . . . . 0.0 111.342 169.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.47 144.21 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 110.172 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.612 0.365 . . . . 0.0 110.989 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 m -136.72 133.67 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.823 0.449 . . . . 0.0 110.012 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -156.26 163.4 39.6 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.437 0.695 . . . . 0.0 111.497 -174.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -80.01 162.67 24.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 165.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.58 -32.28 72.37 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.31 -46.53 85.97 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.704 0.802 . . . . 0.0 111.551 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -84.84 -31.78 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.061 0.544 . . . . 0.0 110.478 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.57 -39.74 61.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 112.281 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -58.52 -31.89 68.34 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.829 0.852 . . . . 0.0 112.284 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -70.23 -38.32 75.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.937 0.495 . . . . 0.0 111.486 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.3 mp . . . . . 0 N--CA 1.454 -0.268 0 CA-C-N 118.583 0.629 . . . . 0.0 110.699 177.483 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttp . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.781 -0.152 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.95 120.56 38.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.19 1.796 . . . . 0.0 108.216 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.14 134.09 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.85 0.86 . . . . 0.0 109.467 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.34 163.04 29.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.009 1.324 . . . . 0.0 111.243 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 113.87 27.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 164.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.77 128.94 56.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.718 0.807 . . . . 0.0 109.723 175.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.28 156.69 33.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.723 0.692 . . . . 0.0 110.625 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.822 HG11 HG12 ' D' ' 25' ' ' VAL . 15.7 m -54.0 135.09 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.558 -0.747 . . . . 0.0 112.026 169.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 -3.23 76.17 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.398 0.999 . . . . 0.0 114.083 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -98.22 179.78 4.63 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.875 1.338 . . . . 0.0 111.928 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.6 m -136.19 155.52 50.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.553 0.741 . . . . 0.0 112.898 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mt -136.96 160.23 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 126.903 2.081 . . . . 0.0 108.7 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -136.98 149.74 47.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.853 0.861 . . . . 0.0 111.992 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -135.51 135.53 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.929 1.292 . . . . 0.0 109.042 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.31 -138.35 49.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.59 8.66 9.53 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.731 0.812 . . . . 0.0 111.794 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -129.86 -11.98 4.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.22 136.47 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.931 0.787 . . . . 0.0 110.747 -172.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -121.07 148.11 44.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.386 1.074 . . . . 0.0 109.987 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -128.31 143.3 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.913 1.685 . . . . 0.0 107.717 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -139.19 127.14 22.25 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 121.778 -0.576 . . . . 0.0 109.898 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -88.52 86.57 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.99 -34.68 78.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.899 -0.5 . . . . 0.0 111.73 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -170.37 42.92 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.941 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.822 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -140.54 131.4 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.515 1.126 . . . . 0.0 110.413 -169.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -136.94 87.7 2.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.352 1.461 . . . . 0.0 108.959 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -122.64 14.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.93 -15.94 33.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 111.108 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.72 151.08 24.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.6 0.714 . . . . 0.0 112.013 176.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.87 126.52 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -169.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -84.27 116.9 23.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.867 0.467 . . . . 0.0 110.024 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -122.57 115.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.003 0.921 . . . . 0.0 109.333 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.69 143.44 22.45 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.941 1.258 . . . . 0.0 110.96 171.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.29 138.99 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -136.42 89.94 2.51 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.14 154.77 74.27 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 109.367 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.49 150.19 86.33 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.979 1.786 . . . . 0.0 110.559 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.88 -1.04 6.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.92 -22.93 65.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.824 1.25 . . . . 0.0 111.389 168.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.67 159.99 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.138 0.975 . . . . 0.0 110.708 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.09 157.04 16.62 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.331 0.652 . . . . 0.0 112.175 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.29 125.87 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.813 0.445 . . . . 0.0 110.056 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -152.78 167.07 30.23 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.615 0.766 . . . . 0.0 111.666 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 mpp_? -63.21 159.96 16.62 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 167.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -62.6 -33.27 74.66 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.569 -0.707 . . . . 0.0 111.499 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -52.08 -43.1 63.71 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.564 1.146 . . . . 0.0 111.871 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -89.86 -38.73 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 124.116 0.966 . . . . 0.0 111.029 -169.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -45.52 -39.76 7.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.805 1.242 . . . . 0.0 112.106 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -60.75 -27.89 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.791 1.236 . . . . 0.0 113.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.01 -47.39 37.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.83 0.741 . . . . 0.0 109.76 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.532 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.0 mp . . . . . 0 N--CA 1.454 -0.239 0 C-N-CA 122.793 0.437 . . . . 0.0 110.317 179.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -80.9 111.0 16.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -172.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -115.01 126.27 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 108.99 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -146.55 165.11 30.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.284 1.033 . . . . 0.0 111.038 -173.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . 0.419 HG22 ' HG2' ' F' ' 29' ' ' GLN . 0.9 OUTLIER -121.58 129.06 52.61 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.824 0.45 . . . . 0.0 110.362 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -128.96 130.52 46.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.229 1.412 . . . . 0.0 110.82 -169.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -83.48 158.93 21.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.733 0.301 . . . . 0.0 111.496 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.71 136.3 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.54 83.57 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 124.002 0.81 . . . . 0.0 114.308 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -94.83 174.88 6.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.846 1.323 . . . . 0.0 111.525 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -137.82 158.77 43.66 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -139.04 156.07 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 126.911 2.084 . . . . 0.0 108.362 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.48 150.45 52.15 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.44 -0.787 . . . . 0.0 113.076 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.01 140.73 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.788 1.235 . . . . 0.0 108.9 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.91 -136.73 51.0 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -124.53 8.58 8.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.903 0.881 . . . . 0.0 111.514 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -135.76 -7.74 2.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -169.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.82 136.95 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 118.928 0.786 . . . . 0.0 110.81 -173.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.39 142.62 51.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.564 1.146 . . . . 0.0 110.015 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.4 136.83 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.394 1.477 . . . . 0.0 108.175 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -134.25 126.3 29.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.124 0.569 . . . . 0.0 109.686 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.07 101.19 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.96 -30.02 66.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.085 -0.384 . . . . 0.0 110.869 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.02 -171.38 34.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.338 0.494 . . . . 0.0 113.32 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -118.86 153.62 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.461 0.704 . . . . 0.0 112.041 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -142.24 89.87 2.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.956 1.302 . . . . 0.0 109.017 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.74 -126.43 37.15 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -171.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -76.2 -24.99 54.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.569 0.685 . . . . 0.0 112.353 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.65 144.76 52.82 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -135.1 118.51 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -88.85 118.61 28.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.12 129.29 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.661 0.784 . . . . 0.0 110.16 -169.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.85 141.68 15.65 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.352 0.977 . . . . 0.0 111.341 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.37 126.31 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.823 1.249 . . . . 0.0 108.651 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -127.97 99.25 5.43 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -172.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 154.85 81.14 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.557 1.143 . . . . 0.0 110.394 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.72 157.45 42.48 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.736 2.291 . . . . 0.0 112.049 172.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 -0.98 12.06 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.462 0.705 . . . . 0.0 112.589 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.72 -23.33 66.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.704 1.202 . . . . 0.0 111.833 169.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -121.86 158.62 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.001 0.92 . . . . 0.0 110.69 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.75 16.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.898 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.066 0.546 . . . . 0.0 110.251 169.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -151.48 170.15 20.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.086 0.954 . . . . 0.0 110.626 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.77 159.26 32.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.78 -23.71 67.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.765 0.317 . . . . 0.0 111.356 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -67.25 -40.16 86.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.97 1.308 . . . . 0.0 111.592 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.49 -33.47 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.484 0.714 . . . . 0.0 109.573 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . 0.537 ' HA ' HG12 ' E' ' 51' ' ' ILE . 62.3 t80 -52.44 -35.09 51.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.421 1.088 . . . . 0.0 112.515 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.35 -23.57 67.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.116 0.567 . . . . 0.0 112.32 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.84 -39.8 25.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.151 0.581 . . . . 0.0 110.407 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' E' ' 48' ' ' TYR . 8.4 mm -52.68 -37.68 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.885 0.874 . . . . 0.0 111.193 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 . . . . . 0 N--CA 1.45 -0.44 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.793 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.87 148.35 22.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.823 0.449 . . . . 0.0 111.372 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.13 133.57 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 169.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.77 163.82 26.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.494 1.117 . . . . 0.0 109.862 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.54 98.51 5.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 169.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.98 132.95 50.57 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.368 1.467 . . . . 0.0 110.528 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -96.18 165.69 12.1 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 119.946 1.248 . . . . 0.0 113.444 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.84 135.0 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.439 -168.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.3 -2.94 75.4 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.399 1.0 . . . . 0.0 113.896 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -99.2 166.5 11.2 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.539 1.169 . . . . 0.0 111.407 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -129.32 158.44 39.09 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -137.3 156.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 126.922 2.089 . . . . 0.0 107.937 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.85 149.65 51.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.849 0.859 . . . . 0.0 112.08 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -135.08 138.64 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.553 1.141 . . . . 0.0 108.908 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.1 -134.91 52.24 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -172.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -127.02 10.05 6.9 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.313 1.045 . . . . 0.0 112.358 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.74 -18.41 3.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.1 136.89 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 119.162 0.892 . . . . 0.0 110.597 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.4 m -128.21 142.76 51.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.303 1.041 . . . . 0.0 110.374 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -123.07 142.34 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 108.157 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -136.45 129.35 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.823 0.449 . . . . 0.0 110.001 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.62 106.06 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.85 -31.07 56.59 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.736 -0.603 . . . . 0.0 111.005 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.31 -174.47 37.05 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 113.702 0.241 . . . . 0.0 113.702 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.97 155.82 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.62 0.768 . . . . 0.0 111.495 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -145.54 89.93 1.96 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.517 1.127 . . . . 0.0 108.808 169.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.03 -121.7 25.45 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -80.24 -20.41 44.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' E' ' 5' ' ' THR . 0.6 OUTLIER -77.48 145.11 37.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.652 0.781 . . . . 0.0 110.937 177.137 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.18 116.05 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -90.96 125.81 35.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.856 0.462 . . . . 0.0 110.123 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -131.61 143.51 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.367 1.067 . . . . 0.0 109.258 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.41 141.32 16.05 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 124.148 0.88 . . . . 0.0 111.472 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 30.9 mt -130.12 127.1 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.091 0.956 . . . . 0.0 110.056 -175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -122.05 108.02 12.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.497 1.119 . . . . 0.0 109.162 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.16 157.64 74.03 Favored Pre-proline 0 N--CA 1.453 -0.28 0 C-N-CA 123.588 0.755 . . . . 0.0 111.476 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -64.78 162.49 31.59 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 123.091 2.527 . . . . 0.0 112.315 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -69.55 -2.36 11.2 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.419 0.688 . . . . 0.0 112.335 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.41 -24.73 66.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.24 1.416 . . . . 0.0 112.307 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -125.72 163.22 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.971 0.908 . . . . 0.0 111.257 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.28 161.52 14.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.458 0.703 . . . . 0.0 111.311 169.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.06 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.15 0.58 . . . . 0.0 110.404 170.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -154.32 174.52 14.72 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.4 163.84 23.54 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.797 -0.564 . . . . 0.0 110.167 168.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -64.13 -24.39 67.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.18 -53.29 59.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.362 0.665 . . . . 0.0 110.781 171.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.84 -32.82 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 122.923 0.489 . . . . 0.0 109.707 -173.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.71 -32.77 53.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.505 0.722 . . . . 0.0 112.923 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -59.68 -21.76 61.02 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.121 1.368 . . . . 0.0 113.059 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -77.16 -46.31 23.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.967 0.507 . . . . 0.0 111.616 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 CA--C 1.528 0.101 0 C-N-CA 125.959 1.704 . . . . 0.0 114.096 -167.579 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.86 118.93 37.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.702 0.801 . . . . 0.0 109.45 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.77 135.82 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.121 0.968 . . . . 0.0 110.4 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -134.73 153.95 51.79 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.685 1.194 . . . . 0.0 110.143 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 m -128.08 101.11 6.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.92 0.888 . . . . 0.0 109.788 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -128.7 155.55 44.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 122.01 -0.431 . . . . 0.0 111.78 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 161.91 13.8 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.285 -172.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.478 HG13 ' HA2' ' A' ' 24' ' ' GLY . 48.1 t -43.58 128.27 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.652 0.781 . . . . 0.0 110.787 169.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.06 -15.16 63.97 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.263 0.935 . . . . 0.0 113.843 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -86.31 170.77 11.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.785 1.293 . . . . 0.0 112.749 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.4 m -139.28 155.88 47.43 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 12.8 mm -126.09 157.84 35.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.496 1.918 . . . . 0.0 109.683 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -128.66 140.71 51.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.357 1.063 . . . . 0.0 111.438 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.58 131.48 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.413 1.085 . . . . 0.0 109.751 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.01 -130.96 33.35 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -125.78 1.82 7.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.872 0.869 . . . . 0.0 112.103 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.54 -17.12 1.52 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.06 134.09 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 119.027 0.83 . . . . 0.0 110.342 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -128.09 142.72 51.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.698 0.799 . . . . 0.0 109.694 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -120.73 143.81 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.739 1.216 . . . . 0.0 108.497 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.9 m -136.46 132.76 35.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.235 0.614 . . . . 0.0 110.064 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.52 96.52 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.91 -30.48 68.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.32 -171.18 44.1 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 117.712 0.233 . . . . 0.0 113.566 169.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.0 147.27 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.716 0.807 . . . . 0.0 111.144 -171.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.48 70.61 1.34 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.854 1.262 . . . . 0.0 109.976 -170.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.49 -124.57 10.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -80.15 -1.75 41.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.287 0.544 . . . . 0.0 112.259 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -98.91 155.49 17.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.837 0.827 . . . . 0.0 111.886 170.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -139.15 126.62 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 126.041 1.737 . . . . 0.0 108.31 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -104.34 101.82 11.51 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.48 0.712 . . . . 0.0 110.303 -175.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -107.86 130.74 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.224 1.409 . . . . 0.0 109.615 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.77 138.37 14.13 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.97 132.14 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.168 1.387 . . . . 0.0 108.47 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -121.02 75.05 1.12 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.512 1.125 . . . . 0.0 109.27 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.39 154.24 40.75 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 125.11 1.364 . . . . 0.0 110.663 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.19 154.09 56.83 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.564 2.176 . . . . 0.0 110.364 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -68.83 -4.78 17.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.8 -24.84 65.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.947 0.899 . . . . 0.0 111.99 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -117.71 144.09 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.98 0.895 . . . . 0.0 111.917 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.14 143.03 29.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.315 1.046 . . . . 0.0 110.874 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -133.62 125.49 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.921 0.488 . . . . 0.0 110.451 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -151.26 158.82 44.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -68.41 162.31 25.71 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.535 1.134 . . . . 0.0 110.414 169.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -59.58 -43.6 93.6 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.562 -0.711 . . . . 0.0 112.796 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 -79.73 1.7 25.57 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.17 -8.76 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.459 1.104 . . . . 0.0 110.687 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -80.07 -40.06 28.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.349 -1.47 . . . . 0.0 110.509 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -73.28 -23.38 60.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.792 0.437 . . . . 0.0 111.826 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -70.36 -26.77 63.89 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 173.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -80.08 -51.8 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.145 0.978 . . . . 0.0 109.568 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 123.518 0.727 . . . . 0.0 111.359 -178.133 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -114.21 123.38 49.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.602 168.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.5 mt -118.97 140.41 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -165.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -135.7 138.0 42.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.157 1.383 . . . . 0.0 110.66 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.4 m -115.5 106.31 13.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -126.34 156.34 40.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.373 1.069 . . . . 0.0 110.301 -169.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -96.74 168.15 10.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -62.72 133.12 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.244 0.545 . . . . 0.0 110.786 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.32 -2.48 78.35 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-O 119.094 -0.837 . . . . 0.0 114.526 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -87.76 162.36 17.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.051 1.425 . . . . 0.0 111.845 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -130.67 157.68 42.13 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.395 0.678 . . . . 0.0 112.498 -171.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -145.24 159.9 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 126.225 1.81 . . . . 0.0 108.403 -172.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -141.62 146.0 35.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.5 0.72 . . . . 0.0 111.865 -169.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.2 130.86 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.613 1.165 . . . . 0.0 109.587 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -133.96 50.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.03 5.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.817 0.847 . . . . 0.0 112.697 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -115.69 -18.79 10.76 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.14 135.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-N 119.016 0.825 . . . . 0.0 111.363 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -130.18 149.68 51.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.942 1.297 . . . . 0.0 109.877 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -129.18 143.71 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.066 1.746 . . . . 0.0 108.393 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.5 m -137.28 129.49 29.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.055 0.542 . . . . 0.0 109.939 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -80.78 104.45 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.74 -33.99 71.4 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.922 -0.486 . . . . 0.0 110.752 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.21 176.11 31.93 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.68 158.19 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.388 0.613 . . . . 0.0 110.389 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -135.65 75.95 1.59 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.66 1.184 . . . . 0.0 108.405 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.07 -122.6 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.44 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -99.78 11.44 39.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.052 -0.675 . . . . 0.0 111.541 171.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.1 158.41 15.69 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.939 0.896 . . . . 0.0 109.906 169.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -139.41 122.23 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.0 0.52 . . . . 0.0 110.282 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 119.57 31.42 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.305 1.442 . . . . 0.0 109.654 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.48 134.14 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.087 0.955 . . . . 0.0 110.142 -169.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.32 139.83 14.63 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 123.713 0.673 . . . . 0.0 111.961 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mt -124.57 131.01 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.093 0.957 . . . . 0.0 109.176 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -131.84 77.09 1.75 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.732 -167.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.59 157.18 57.38 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.284 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.14 155.05 41.78 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.705 1.603 . . . . 0.0 109.561 168.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -0.83 10.05 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.899 0.88 . . . . 0.0 111.106 175.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.78 -25.7 67.37 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.634 1.974 . . . . 0.0 111.528 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.7 144.15 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.73 1.212 . . . . 0.0 109.951 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.04 140.56 30.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.405 0.621 . . . . 0.0 111.849 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.6 t -144.83 99.32 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.276 -166.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -145.7 168.17 21.35 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.154 0.982 . . . . 0.0 110.553 179.497 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.9 ptt-85 -71.18 158.5 36.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.199 -0.313 . . . . 0.0 111.483 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.39 -32.84 62.97 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.929 0.892 . . . . 0.0 112.532 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -53.77 -51.21 64.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.065 0.848 . . . . 0.0 110.565 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.72 -43.44 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.899 1.279 . . . . 0.0 110.081 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -48.5 -38.77 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.212 1.005 . . . . 0.0 112.015 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.86 -27.21 65.61 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -79.41 -39.07 33.33 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 119.008 0.822 . . . . 0.0 110.478 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.516 HG22 ' NE2' ' B' ' 52' ' ' GLN . 87.3 mt -64.46 -42.55 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.516 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.2 mm-40 -77.58 5.0 9.95 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.65 -18.84 50.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.285 0.493 . . . . 0.0 111.837 169.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.35 44.73 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.494 -0.615 . . . . 0.0 114.397 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.04 -174.42 2.04 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.851 0.826 . . . . 0.0 112.596 -168.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -127.03 175.35 8.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.062 1.345 . . . . 0.0 109.636 167.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.19 122.35 1.29 Allowed Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 124.34 1.056 . . . . 0.0 111.39 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -58.49 168.77 3.65 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 123.268 2.645 . . . . 0.0 114.581 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 124.593 1.157 . . . . 0.0 113.391 -174.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' D' ' 34' ' ' ILE 0.287 7.3 tpp . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.79 106.71 12.37 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.027 1.731 . . . . 0.0 106.527 166.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.16 133.73 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.539 0.736 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -128.88 144.54 51.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.444 1.097 . . . . 0.0 110.053 170.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -114.7 128.02 56.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.186 0.594 . . . . 0.0 110.864 173.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.676 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 32.6 mtp85 -140.7 150.85 43.98 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.415 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 2.7 tptm -75.39 160.41 30.3 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.091 1.356 . . . . 0.0 110.594 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.42 143.8 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 O-C-N 121.443 -0.786 . . . . 0.0 112.377 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.91 -3.77 86.7 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.85 1.214 . . . . 0.0 113.549 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . 0.676 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 73.8 mm-40 -86.58 164.16 17.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.937 1.368 . . . . 0.0 113.56 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -121.57 153.38 38.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.448 1.099 . . . . 0.0 112.99 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mt -145.37 156.91 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.979 2.112 . . . . 0.0 108.4 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -131.76 152.63 50.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.019 -1.051 . . . . 0.0 112.353 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.11 135.83 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 125.009 1.324 . . . . 0.0 109.576 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.89 -137.83 49.28 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -175.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -120.62 0.41 10.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.377 1.071 . . . . 0.0 111.011 169.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -122.49 -9.41 8.5 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.238 1.015 . . . . 0.0 113.239 -169.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.34 133.67 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 118.741 0.701 . . . . 0.0 110.659 -174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -116.76 147.38 42.1 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.656 0.782 . . . . 0.0 109.968 171.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -126.31 146.69 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.543 1.537 . . . . 0.0 108.147 177.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -143.62 133.05 23.4 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.409 -0.807 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -86.33 100.94 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 168.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.54 -36.37 60.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.834 -0.541 . . . . 0.0 109.751 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.63 -170.15 42.52 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.761 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.83 154.47 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.384 0.674 . . . . 0.0 110.735 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -139.64 90.04 2.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.211 1.004 . . . . 0.0 108.609 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -117.47 7.46 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -169.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.27 -3.35 44.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.62 0.768 . . . . 0.0 112.177 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' HG2' ' D' ' 7' ' ' LYS . 21.4 mt-30 -81.52 157.94 24.64 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.761 0.791 . . . . 0.0 111.816 173.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -137.96 112.63 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 125.716 1.606 . . . . 0.0 107.041 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -79.07 112.28 16.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 mt -109.97 127.1 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.857 1.263 . . . . 0.0 109.468 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 142.25 16.04 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 125.294 1.425 . . . . 0.0 111.303 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -136.38 135.14 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -138.07 94.74 2.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -171.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.04 156.48 75.67 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 123.897 0.879 . . . . 0.0 110.474 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.11 151.43 81.9 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.737 2.291 . . . . 0.0 110.992 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.22 -1.0 2.87 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 123.391 0.676 . . . . 0.0 112.557 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.76 -22.63 66.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.362 1.065 . . . . 0.0 111.33 169.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.36 149.54 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.204 1.002 . . . . 0.0 110.562 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.75 154.83 20.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.764 0.425 . . . . 0.0 111.455 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.66 131.29 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -153.74 167.08 30.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.105 0.562 . . . . 0.0 111.257 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.5 ' HA ' HD13 ' D' ' 12' ' ' ILE . 32.2 ptt-85 -87.3 158.0 19.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 166.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.68 -35.2 74.0 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -168.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.43 -18.9 63.78 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.109 0.963 . . . . 0.0 113.483 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mm -98.53 -34.48 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.014 0.926 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.65 -35.06 54.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.266 1.026 . . . . 0.0 112.159 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -61.33 -24.98 66.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.802 0.841 . . . . 0.0 112.9 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -68.73 -38.54 80.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.499 0.59 . . . . 0.0 111.603 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.456 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.6 mp . . . . . 0 N--CA 1.455 -0.224 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mmm . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.9 112.36 11.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.118 1.767 . . . . 0.0 107.257 168.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.59 137.9 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.769 1.228 . . . . 0.0 109.421 -171.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 159.21 38.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.375 0.67 . . . . 0.0 111.74 173.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 19.3 p -90.93 144.83 25.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.372 0.606 . . . . 0.0 112.044 172.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -132.38 145.94 51.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.551 1.141 . . . . 0.0 108.23 166.544 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' C' ' 29' ' ' GLN . 74.5 mttt -92.74 158.71 15.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.508 169.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.523 HG12 ' HA2' ' D' ' 24' ' ' GLY . 31.3 m -42.79 133.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.55 -6.01 80.27 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.365 0.983 . . . . 0.0 114.177 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -94.38 170.59 9.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.79 1.295 . . . . 0.0 112.615 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.4 m -131.13 158.97 39.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.4 mm -139.69 153.78 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 128.412 2.685 . . . . 0.0 108.315 -174.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -132.36 145.79 51.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.041 0.936 . . . . 0.0 111.829 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 83.9 mt -133.38 139.56 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.834 1.253 . . . . 0.0 109.131 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.45 -131.88 52.27 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -173.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.94 9.93 5.41 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.617 0.767 . . . . 0.0 111.675 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.64 -8.41 4.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.973 0.909 . . . . 0.0 112.953 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.78 137.35 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.34 0.656 . . . . 0.0 110.608 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -127.68 142.6 51.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 109.489 174.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -125.94 141.14 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.956 1.302 . . . . 0.0 108.056 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -136.1 130.43 33.36 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -84.48 102.75 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.8 mt -73.3 -34.2 65.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.848 0.459 . . . . 0.0 110.241 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . 0.523 ' HA2' HG12 ' D' ' 8' ' ' VAL . . . 169.37 179.72 41.43 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 121.049 0.249 . . . . 0.0 112.846 168.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.502 HG12 HG11 ' D' ' 8' ' ' VAL . 8.0 p -121.06 135.0 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.364 1.066 . . . . 0.0 110.091 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -133.36 79.08 1.81 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.794 1.238 . . . . 0.0 109.073 -170.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.98 -118.83 5.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -171.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.415 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mt-30 -94.83 -8.57 37.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.604 0.762 . . . . 0.0 111.077 173.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -79.54 147.97 31.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.177 0.591 . . . . 0.0 110.523 173.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -127.32 123.83 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -95.7 107.75 19.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.495 1.118 . . . . 0.0 108.714 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -117.05 127.28 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.925 0.89 . . . . 0.0 109.982 -168.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.73 142.4 15.98 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 171.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 4.5 mp -127.51 138.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -136.05 89.97 2.53 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.79 155.31 79.51 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.676 1.191 . . . . 0.0 109.644 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.8 151.59 83.22 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.4 2.067 . . . . 0.0 110.905 169.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.05 -1.91 6.75 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.05 -21.49 66.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.315 1.046 . . . . 0.0 111.325 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.09 159.86 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.226 1.01 . . . . 0.0 110.881 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.21 157.11 16.11 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.565 0.746 . . . . 0.0 112.172 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.5 123.73 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.773 167.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -152.31 159.65 43.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.234 0.614 . . . . 0.0 111.388 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -66.64 155.59 37.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.309 0.643 . . . . 0.0 110.353 167.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -55.88 -41.33 74.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -167.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -67.97 -22.42 65.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.4 -41.74 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 123.987 0.915 . . . . 0.0 110.894 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -48.05 -36.05 12.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.904 1.281 . . . . 0.0 112.78 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -60.2 -28.36 67.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.496 1.119 . . . . 0.0 112.962 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.37 -35.64 65.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.342 1.057 . . . . 0.0 111.118 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.65 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.454 -0.244 0 C-N-CA 127.29 2.236 . . . . 0.0 109.326 -176.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -113.84 120.94 42.47 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.173 0.589 . . . . 0.0 110.157 -169.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.69 139.18 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.067 0.947 . . . . 0.0 109.82 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -133.69 165.01 25.94 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.804 1.641 . . . . 0.0 110.578 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.0 97.04 4.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 167.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.41 ' HE ' ' CD ' ' E' ' 10' ' ' GLU . 0.1 OUTLIER -107.67 129.83 54.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.099 1.36 . . . . 0.0 110.049 -168.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . 0.449 ' HB3' HE21 ' F' ' 29' ' ' GLN 0.264 15.2 ptpt -98.68 146.94 25.35 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 123.516 1.627 . . . . 0.0 114.212 176.048 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . 0.5 HG13 ' HA2' ' E' ' 24' ' ' GLY . 27.5 t -34.91 118.03 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 110.317 -3.128 . . . . 0.0 110.227 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.22 -17.03 44.81 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.356 -0.691 . . . . 0.0 113.922 -178.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . 0.41 ' CD ' ' HE ' ' E' ' 6' ' ' ARG . 50.0 mt-10 -86.59 171.09 11.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.647 1.223 . . . . 0.0 111.879 172.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -133.13 155.48 49.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.943 0.897 . . . . 0.0 111.804 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -125.38 160.85 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 126.647 1.979 . . . . 0.0 108.167 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -134.86 150.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.649 -0.657 . . . . 0.0 111.732 173.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -134.38 137.68 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.442 1.097 . . . . 0.0 109.182 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.42 -137.42 50.03 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.71 8.83 9.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.985 0.914 . . . . 0.0 111.931 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -138.73 -9.14 1.4 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -115.56 135.27 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.925 0.784 . . . . 0.0 110.508 -172.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -126.08 148.32 49.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.984 1.314 . . . . 0.0 109.198 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.79 150.12 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.83 0.852 . . . . 0.0 109.334 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.44 132.21 31.0 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.894 0.878 . . . . 0.0 111.013 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.46 100.77 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 169.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 mt -73.08 -24.13 60.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.691 -0.631 . . . . 0.0 112.087 -171.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . 0.5 ' HA2' HG13 ' E' ' 8' ' ' VAL . . . 158.18 168.47 20.5 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 118.577 0.626 . . . . 0.0 113.089 -170.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -114.52 156.63 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.285 0.634 . . . . 0.0 111.2 168.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -143.75 89.83 2.09 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.672 1.189 . . . . 0.0 108.107 168.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.48 -128.63 43.96 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.352 -171.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -75.84 -19.33 58.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.48 0.64 . . . . 0.0 112.177 173.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.06 147.03 36.92 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.639 0.733 . . . . 0.0 110.031 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.17 121.76 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm105 -89.43 120.91 31.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.21 139.03 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.54 1.136 . . . . 0.0 110.302 -167.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 138.85 15.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.417 1.008 . . . . 0.0 110.869 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 19.5 mt -132.49 135.35 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -138.24 101.16 4.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.694 -0.629 . . . . 0.0 111.22 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.77 156.26 79.59 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 124.716 1.206 . . . . 0.0 110.537 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.08 158.03 36.5 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.842 2.361 . . . . 0.0 111.885 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -68.41 -0.86 5.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.401 0.68 . . . . 0.0 112.704 169.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.98 -22.98 67.09 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.75 1.22 . . . . 0.0 111.333 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.9 154.98 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.412 1.085 . . . . 0.0 110.582 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 157.8 19.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.653 0.381 . . . . 0.0 111.467 172.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.05 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.042 -0.411 . . . . 0.0 110.968 169.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.76 170.03 20.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.208 1.003 . . . . 0.0 111.159 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -66.99 154.6 40.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.41 -23.59 64.49 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.107 -0.37 . . . . 0.0 111.783 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.49 -48.79 73.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.578 1.151 . . . . 0.0 111.347 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.53 -31.14 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.575 0.75 . . . . 0.0 109.89 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -54.62 -37.44 65.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.704 0.801 . . . . 0.0 112.379 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -69.99 -22.15 63.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.84 -26.67 64.33 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.497 0.589 . . . . 0.0 110.316 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . 0.456 HG22 ' NE2' ' E' ' 52' ' ' GLN . 92.7 mt -94.23 -39.3 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 110.891 -169.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . 0.456 ' NE2' HG22 ' E' ' 51' ' ' ILE . 28.4 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.381 177.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.006 -0.045 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -101.05 148.48 25.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.511 0.724 . . . . 0.0 111.288 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.6 137.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.549 0.739 . . . . 0.0 109.452 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.1 162.82 31.4 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 110.181 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.58 97.0 4.4 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 169.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.56 137.65 43.04 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.488 1.515 . . . . 0.0 112.227 -169.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -85.93 157.12 20.23 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 112.104 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.61 138.24 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.148 0.499 . . . . 0.0 111.863 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.14 -5.18 84.53 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.069 0.842 . . . . 0.0 114.11 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.807 1.303 . . . . 0.0 112.368 176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -133.45 157.22 46.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.746 0.818 . . . . 0.0 112.573 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -135.3 157.14 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 126.987 2.115 . . . . 0.0 107.341 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -131.6 150.25 52.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.385 -0.822 . . . . 0.0 112.136 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -134.99 138.79 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.628 1.171 . . . . 0.0 109.033 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.18 -135.31 51.95 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -127.69 10.07 6.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.211 1.004 . . . . 0.0 112.367 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -127.85 -18.11 4.32 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.5 136.18 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 119.039 0.836 . . . . 0.0 110.769 -171.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -126.85 143.22 51.33 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.525 1.13 . . . . 0.0 110.021 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -121.85 143.21 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.782 1.633 . . . . 0.0 107.985 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -136.3 130.41 32.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.081 0.552 . . . . 0.0 109.951 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -85.17 112.54 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -86.17 -26.14 25.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.319 0.648 . . . . 0.0 111.354 -172.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.31 -172.56 33.53 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 117.89 0.314 . . . . 0.0 113.842 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.46 156.0 40.52 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.315 1.446 . . . . 0.0 108.656 168.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -118.81 9.03 Favored Glycine 0 CA--C 1.526 0.76 0 O-C-N 121.68 -0.637 . . . . 0.0 111.769 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -88.17 -22.35 24.09 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 117.724 0.762 . . . . 0.0 110.524 175.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . 0.449 HE21 ' HB3' ' E' ' 7' ' ' LYS . 10.1 mm-40 -69.62 126.61 30.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.278 0.49 . . . . 0.0 109.782 177.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.57 117.11 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -84.44 127.75 34.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.62 141.83 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 124.03 0.932 . . . . 0.0 110.138 -168.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.48 143.64 17.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 124.26 0.934 . . . . 0.0 111.454 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.35 134.02 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.382 1.073 . . . . 0.0 109.828 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -127.16 103.46 7.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.665 1.186 . . . . 0.0 109.28 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.49 158.84 72.55 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 123.663 0.785 . . . . 0.0 111.442 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -63.87 162.42 28.88 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.845 2.363 . . . . 0.0 112.357 174.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.12 -5.49 27.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.584 0.754 . . . . 0.0 112.56 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.9 -19.4 64.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.87 1.268 . . . . 0.0 112.583 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.17 166.92 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.711 0.804 . . . . 0.0 111.768 -175.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.33 167.45 9.91 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.398 1.079 . . . . 0.0 111.438 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.06 124.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.393 0.677 . . . . 0.0 110.677 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -153.45 -178.44 7.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.174 0.99 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -76.39 155.65 33.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -58.49 -29.02 65.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.373 0.669 . . . . 0.0 112.224 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -58.14 -46.11 86.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.865 0.866 . . . . 0.0 111.284 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.53 -31.23 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 123.686 0.794 . . . . 0.0 109.636 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . 0.526 ' HA ' HG12 ' F' ' 51' ' ' ILE . 74.9 t80 -53.21 -33.97 55.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.225 1.01 . . . . 0.0 112.99 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.48 -22.02 65.49 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.446 0.698 . . . . 0.0 112.186 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.03 -23.0 26.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.7 0.8 . . . . 0.0 110.925 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' F' ' 48' ' ' TYR . 6.2 mm . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.761 171.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.18 112.56 25.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.652 0.781 . . . . 0.0 109.253 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.23 134.79 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.837 0.855 . . . . 0.0 110.116 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -131.19 159.2 38.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.222 1.009 . . . . 0.0 109.906 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -124.56 113.48 18.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.219 1.008 . . . . 0.0 108.643 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HG2' HD11 ' B' ' 32' ' ' ILE . 0.9 OUTLIER -131.32 139.96 49.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.401 0.68 . . . . 0.0 110.803 -167.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.0 162.3 13.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 118.663 0.665 . . . . 0.0 110.943 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG13 ' HA2' ' A' ' 24' ' ' GLY . 71.5 t -44.37 129.63 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.77 0.828 . . . . 0.0 110.847 175.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.42 81.67 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.376 0.989 . . . . 0.0 114.816 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -86.6 169.05 13.09 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 119.244 1.522 . . . . 0.0 112.548 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -137.87 141.8 40.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.103 0.961 . . . . 0.0 111.949 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.7 mm -124.29 154.13 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.162 1.785 . . . . 0.0 108.02 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.44 137.43 48.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.293 1.037 . . . . 0.0 110.114 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -135.21 127.99 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.012 0.925 . . . . 0.0 109.31 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.79 -134.96 35.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -121.03 -1.12 9.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.963 0.905 . . . . 0.0 112.232 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.35 -20.15 2.7 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.99 139.22 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 118.745 0.702 . . . . 0.0 110.74 -169.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 m -137.41 140.96 41.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.289 1.036 . . . . 0.0 109.284 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 mm -124.19 124.74 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.167 0.987 . . . . 0.0 108.69 -176.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -118.88 136.04 54.25 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.754 0.821 . . . . 0.0 109.577 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -89.89 112.45 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.16 -22.55 36.03 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.909 -0.495 . . . . 0.0 110.045 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.15 -167.98 39.04 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 117.881 0.31 . . . . 0.0 113.665 168.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.01 161.01 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.061 0.945 . . . . 0.0 111.428 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -143.63 69.25 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.769 1.228 . . . . 0.0 109.401 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.16 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -71.08 -12.04 61.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.853 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -98.91 157.41 16.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.061 0.934 . . . . 0.0 112.222 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -138.48 124.01 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.021 1.728 . . . . 0.0 108.118 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -103.29 101.88 11.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.546 0.739 . . . . 0.0 110.45 -175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -108.55 133.62 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.523 1.529 . . . . 0.0 109.604 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.82 133.77 11.84 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 169.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.78 132.56 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.657 1.183 . . . . 0.0 108.363 175.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -119.02 75.06 1.01 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.631 1.172 . . . . 0.0 109.389 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.48 152.53 44.67 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.546 174.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.56 156.84 49.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.491 2.127 . . . . 0.0 110.621 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -67.88 -2.97 8.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.87 -30.85 71.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.867 0.867 . . . . 0.0 111.571 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -120.23 144.11 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.882 0.848 . . . . 0.0 111.891 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.08 143.08 41.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.53 1.132 . . . . 0.0 111.741 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.88 120.89 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.224 0.61 . . . . 0.0 109.428 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -148.92 171.99 15.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.371 0.669 . . . . 0.0 111.198 -179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.11 158.96 16.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.521 0.728 . . . . 0.0 110.948 169.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.55 -28.23 69.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -167.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -74.69 -5.29 42.35 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.207 -0.933 . . . . 0.0 113.186 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.69 -30.07 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.774 1.23 . . . . 0.0 110.871 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.84 -32.13 72.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 118.886 0.766 . . . . 0.0 110.529 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.14 -13.31 60.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.416 0.686 . . . . 0.0 112.077 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -78.66 -33.56 47.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.822 0.849 . . . . 0.0 110.887 169.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.598 HG22 HE21 ' A' ' 52' ' ' GLN . 32.2 mt -64.72 -52.62 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.598 HE21 HG22 ' A' ' 51' ' ' ILE . 77.9 mm-40 . . . . . 0 N--CA 1.451 -0.388 0 C-N-CA 123.544 0.738 . . . . 0.0 112.266 -174.236 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.8 tpp . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.492 -0.289 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -114.01 120.68 41.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.94 139.18 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.791 0.437 . . . . 0.0 112.078 -165.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.66 142.72 45.19 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.987 1.315 . . . . 0.0 110.716 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -118.34 100.98 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -126.59 157.28 39.28 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 124.052 0.941 . . . . 0.0 110.874 -169.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -92.03 168.77 11.16 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -61.3 137.53 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.487 0.66 . . . . 0.0 111.241 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.65 -1.52 81.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.104 -0.831 . . . . 0.0 114.219 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.89 159.32 20.36 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.768 1.284 . . . . 0.0 112.285 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -127.33 143.63 51.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.273 1.029 . . . . 0.0 110.891 -169.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.0 mt -137.43 151.75 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.134 1.374 . . . . 0.0 109.223 -170.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -136.1 140.58 43.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.086 0.554 . . . . 0.0 111.729 -169.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.46 129.83 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.829 0.851 . . . . 0.0 109.759 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.59 -137.16 50.49 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -174.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.85 5.06 7.34 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.749 0.819 . . . . 0.0 112.656 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -112.54 -20.03 11.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.7 135.38 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 119.045 0.838 . . . . 0.0 111.474 -169.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -130.97 148.22 52.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 109.802 169.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.31 141.33 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.054 1.741 . . . . 0.0 108.059 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -133.48 128.03 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.743 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.9 tp -81.91 106.1 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 169.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -74.4 -32.64 62.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.992 -0.442 . . . . 0.0 110.78 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 167.87 21.47 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 122.844 0.259 . . . . 0.0 112.545 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.09 147.1 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 109.804 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -123.67 78.71 1.63 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.58 -119.3 4.96 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -174.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.8 10.44 38.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.925 0.49 . . . . 0.0 111.043 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -98.92 155.39 17.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.199 1.0 . . . . 0.0 110.087 173.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -137.14 104.88 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.02 115.2 21.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.218 1.007 . . . . 0.0 108.637 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.743 HG22 ' HA ' ' B' ' 22' ' ' ILE . 5.0 pt -133.11 139.71 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.354 0.662 . . . . 0.0 111.106 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.37 140.54 15.04 Favored Glycine 0 C--N 1.333 0.394 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.624 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -120.87 129.2 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -129.4 79.62 1.92 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.411 -167.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.32 157.35 72.87 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-N 113.919 -1.492 . . . . 0.0 109.354 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -59.32 154.5 46.43 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 121.598 1.532 . . . . 0.0 109.893 168.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -70.0 -0.91 8.34 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.822 0.849 . . . . 0.0 111.843 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.85 -24.43 66.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.883 1.673 . . . . 0.0 111.042 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.51 144.0 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.59 1.156 . . . . 0.0 109.687 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.26 141.24 28.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.241 0.543 . . . . 0.0 111.149 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.49 99.22 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.988 -166.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -147.41 170.15 17.99 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 124.307 1.043 . . . . 0.0 111.228 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -76.92 161.78 28.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.191 -0.318 . . . . 0.0 111.496 169.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -52.03 -42.43 63.07 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 123.739 0.816 . . . . 0.0 112.462 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -47.99 -48.97 32.21 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.734 0.414 . . . . 0.0 110.89 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.23 -47.56 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.117 1.367 . . . . 0.0 110.135 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -49.84 -38.22 34.05 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.425 1.09 . . . . 0.0 111.73 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -68.28 -27.3 66.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -81.12 -38.12 27.76 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.244 0.929 . . . . 0.0 110.516 172.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.539 HG22 ' NE2' ' B' ' 52' ' ' GLN . 91.1 mt -63.59 -41.63 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.539 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.7 mm-40 -79.61 4.94 14.45 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 172.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.74 -19.23 49.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.275 0.489 . . . . 0.0 111.501 168.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.39 46.11 0.08 OUTLIER Glycine 0 C--N 1.339 0.71 0 CA-C-O 119.455 -0.636 . . . . 0.0 114.267 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.06 -175.55 2.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.941 0.871 . . . . 0.0 112.724 -168.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -125.09 177.23 6.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.159 1.384 . . . . 0.0 109.578 167.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.76 118.91 1.09 Allowed Pre-proline 0 N--CA 1.455 -0.191 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.3 Cg_exo -63.51 169.02 10.4 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.266 1.977 . . . . 0.0 114.582 -168.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 112.583 -179.473 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.52 111.35 22.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 167.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.38 134.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.035 0.934 . . . . 0.0 109.61 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -130.36 142.92 50.5 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.815 1.246 . . . . 0.0 109.972 172.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -106.64 141.44 37.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.802 0.441 . . . . 0.0 111.124 171.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -139.1 138.74 37.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.613 0.765 . . . . 0.0 110.957 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.4 tptm -74.64 156.17 37.0 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.06 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 119.283 0.947 . . . . 0.0 112.156 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.01 -5.69 81.82 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 125.096 1.331 . . . . 0.0 114.031 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -90.0 179.38 5.97 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.949 1.374 . . . . 0.0 112.168 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -141.63 158.91 43.24 Favored 'General case' 0 C--N 1.339 0.122 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -167.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.0 mt -139.36 156.44 26.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.568 2.347 . . . . 0.0 108.439 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -131.42 146.78 52.42 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.277 1.031 . . . . 0.0 111.751 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -132.56 131.22 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.433 1.093 . . . . 0.0 108.701 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -137.79 48.4 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -169.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -122.57 6.74 9.49 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.808 0.843 . . . . 0.0 111.753 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -120.44 -11.79 9.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.845 0.858 . . . . 0.0 112.842 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.37 133.48 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.505 0.722 . . . . 0.0 110.449 -176.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.86 141.26 52.07 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.399 1.08 . . . . 0.0 109.672 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.3 mm -119.48 136.83 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.829 1.252 . . . . 0.0 108.431 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -130.04 127.14 39.32 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.741 0.416 . . . . 0.0 110.183 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -79.88 108.59 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 168.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.429 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.5 mt -84.63 -33.66 23.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -175.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.34 -173.03 43.09 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 120.236 -0.202 . . . . 0.0 113.572 168.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.0 152.09 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.359 0.664 . . . . 0.0 110.909 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -141.95 99.14 3.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.492 1.117 . . . . 0.0 108.343 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.56 -124.65 15.89 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -94.27 -4.44 48.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.592 1.157 . . . . 0.0 112.109 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -80.86 151.13 28.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.879 0.847 . . . . 0.0 111.081 173.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.9 112.81 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.429 ' HG2' HD12 ' C' ' 23' ' ' LEU . 13.7 ttm180 -76.19 110.5 10.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 170.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -114.48 128.16 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.614 1.166 . . . . 0.0 109.301 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.35 140.61 15.08 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.818 0.723 . . . . 0.0 111.638 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.85 121.75 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.579 1.152 . . . . 0.0 108.463 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -115.91 103.01 10.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.245 0.618 . . . . 0.0 109.666 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.18 60.38 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.295 1.038 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -63.17 152.27 80.53 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.915 2.41 . . . . 0.0 111.231 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.59 -0.97 3.16 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.201 0.6 . . . . 0.0 112.551 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.92 -22.59 66.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.908 0.883 . . . . 0.0 111.064 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.68 146.53 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.432 1.093 . . . . 0.0 110.398 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.46 154.53 19.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.68 0.392 . . . . 0.0 111.233 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.75 131.51 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.038 0 C-N-CA 123.044 0.537 . . . . 0.0 110.183 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -157.32 159.31 37.38 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -66.2 147.81 52.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -61.14 -30.58 70.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.601 0.637 . . . . 0.0 112.426 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.88 -46.6 78.24 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.83 0.852 . . . . 0.0 111.651 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.92 -31.69 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.618 0.767 . . . . 0.0 110.561 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . 0.41 ' HA ' HG12 ' C' ' 51' ' ' ILE . 40.6 t80 -54.07 -36.55 63.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.84 0.856 . . . . 0.0 112.219 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.68 -30.42 71.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.957 0.503 . . . . 0.0 112.029 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -71.63 -34.78 70.08 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.615 0.766 . . . . 0.0 111.813 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' C' ' 48' ' ' TYR . 6.8 mm . . . . . 0 N--CA 1.457 -0.12 0 C-N-CA 123.405 0.682 . . . . 0.0 110.394 175.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.498 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.1 tpp . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.7 113.81 24.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.537 1.535 . . . . 0.0 108.863 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.498 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.1 mp -104.44 137.53 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.775 1.23 . . . . 0.0 109.969 -176.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -132.72 167.35 20.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.242 1.417 . . . . 0.0 111.132 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.37 114.8 28.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 165.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.77 134.78 51.63 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.028 0.931 . . . . 0.0 110.314 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -92.37 157.12 16.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 119.102 0.864 . . . . 0.0 111.594 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.72 HG11 HG12 ' D' ' 25' ' ' VAL . 35.1 m -48.9 136.23 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.246 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.82 -6.28 79.53 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.538 1.066 . . . . 0.0 114.265 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.39 178.17 5.91 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.997 1.399 . . . . 0.0 112.523 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -136.9 161.4 36.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.075 0.95 . . . . 0.0 112.823 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -137.36 157.98 34.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.165 2.186 . . . . 0.0 108.397 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -123.37 149.83 44.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.461 0.704 . . . . 0.0 111.584 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.3 mt -134.61 129.22 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.742 1.217 . . . . 0.0 109.254 174.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.63 -133.69 44.41 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.04 9.46 5.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.641 0.776 . . . . 0.0 112.628 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.63 -19.51 6.83 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.48 132.03 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.827 0.739 . . . . 0.0 110.532 -171.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -121.92 145.29 48.24 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.863 0.865 . . . . 0.0 109.891 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -123.8 143.67 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.26 1.424 . . . . 0.0 108.289 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -137.25 128.12 27.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.362 0.665 . . . . 0.0 109.343 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.33 97.77 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.56 -32.81 68.52 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.058 0.543 . . . . 0.0 111.17 -169.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.06 -175.04 45.44 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-O 121.393 0.441 . . . . 0.0 113.047 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.72 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -135.35 129.57 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.445 1.098 . . . . 0.0 110.111 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -132.59 88.41 2.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.533 1.533 . . . . 0.0 108.739 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.78 -125.26 9.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 64.7 mm-40 -89.46 -11.21 43.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 117.276 0.538 . . . . 0.0 111.373 171.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.2 134.89 36.17 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.617 0.722 . . . . 0.0 110.774 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -119.13 122.15 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -95.76 107.25 19.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.963 0.905 . . . . 0.0 108.706 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.75 125.43 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.74 0.816 . . . . 0.0 109.835 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.03 136.22 13.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.17 142.62 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.855 0.862 . . . . 0.0 108.791 173.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -137.97 90.0 2.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.82 0.848 . . . . 0.0 108.903 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.47 154.74 62.88 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.706 1.202 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.41 148.94 88.8 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 121.991 1.794 . . . . 0.0 110.67 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.0 -4.79 10.56 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -68.22 -18.62 64.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.345 1.458 . . . . 0.0 112.441 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -125.61 159.58 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.863 0.865 . . . . 0.0 110.397 174.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.36 157.03 16.19 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.46 125.81 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.94 0.496 . . . . 0.0 109.98 168.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -148.56 165.63 30.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.478 0.711 . . . . 0.0 111.25 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.75 156.72 19.61 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 167.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -61.57 -31.53 71.58 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.457 0.571 . . . . 0.0 110.639 169.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -50.97 -50.34 58.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.355 1.462 . . . . 0.0 111.456 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -81.71 -40.54 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.182 0.993 . . . . 0.0 110.014 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -47.56 -39.66 17.06 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.24 1.416 . . . . 0.0 112.224 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.54 -31.42 66.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.498 1.119 . . . . 0.0 112.619 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -72.71 -34.67 67.28 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.527 0.603 . . . . 0.0 110.953 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.525 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.406 0.682 . . . . 0.0 109.609 178.389 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 10.1 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 142.44 51.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.708 0.803 . . . . 0.0 109.75 169.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mm -118.86 123.17 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.036 0.935 . . . . 0.0 109.16 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.59 151.65 39.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.584 1.554 . . . . 0.0 110.278 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . 0.405 HG22 ' HG3' ' F' ' 29' ' ' GLN . 0.7 OUTLIER -132.36 118.44 19.41 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 168.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.432 ' HG3' HD11 ' E' ' 12' ' ' ILE . 7.0 mmp_? -133.32 162.07 32.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.279 1.032 . . . . 0.0 110.214 -171.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -122.75 164.94 17.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.388 0.675 . . . . 0.0 110.667 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.35 138.3 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 CA-C-O 120.939 0.399 . . . . 0.0 111.972 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.63 84.11 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.946 0.784 . . . . 0.0 114.443 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -91.54 170.45 9.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.842 1.321 . . . . 0.0 111.792 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.2 m -135.05 155.24 51.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -170.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . 0.432 HD11 ' HG3' ' E' ' 6' ' ' ARG . 30.0 mt -132.79 155.23 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.298 1.839 . . . . 0.0 107.876 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -139.01 145.26 39.44 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.596 -0.69 . . . . 0.0 112.189 -169.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 59.9 mt -134.49 138.1 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.528 1.131 . . . . 0.0 109.325 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.04 -133.23 50.96 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.55 9.98 7.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.465 1.106 . . . . 0.0 111.464 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.61 -9.55 1.41 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -169.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.51 135.0 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 119.023 0.829 . . . . 0.0 110.595 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 79.9 m -132.68 143.53 49.7 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.118 0.967 . . . . 0.0 110.406 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.1 mm -117.63 139.6 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.843 1.657 . . . . 0.0 107.924 173.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -135.68 124.27 23.66 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.975 0.51 . . . . 0.0 110.108 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.82 109.48 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.76 -31.11 61.68 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.189 -0.319 . . . . 0.0 110.309 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.7 179.44 29.11 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 123.432 0.539 . . . . 0.0 113.462 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 m -108.86 154.19 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.648 0.779 . . . . 0.0 112.041 -175.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.8 m -143.52 89.94 2.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.538 1.535 . . . . 0.0 108.499 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.22 -130.01 48.4 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -171.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -70.85 -18.13 62.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . 0.512 ' CG ' HG22 ' F' ' 5' ' ' THR . 12.0 tt0 -86.71 144.79 26.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.297 0.639 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 t -139.66 119.79 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -169.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -95.92 124.44 39.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.092 0.557 . . . . 0.0 109.666 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.25 130.82 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.254 0.622 . . . . 0.0 110.871 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.72 143.44 17.16 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.111 0.862 . . . . 0.0 111.549 171.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.93 124.9 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.911 1.284 . . . . 0.0 108.608 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -127.03 98.99 5.52 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.934 0.493 . . . . 0.0 109.724 -169.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.57 155.53 71.68 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.389 1.075 . . . . 0.0 110.736 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.68 159.34 37.52 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.984 2.456 . . . . 0.0 112.066 171.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -69.11 -0.84 6.4 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 123.349 0.66 . . . . 0.0 112.656 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.96 -23.0 67.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.706 1.202 . . . . 0.0 111.489 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.3 154.88 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.25 1.02 . . . . 0.0 110.568 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.47 155.79 19.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.475 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.01 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.789 0.435 . . . . 0.0 110.306 168.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -150.75 168.8 23.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.113 0.965 . . . . 0.0 110.278 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -78.6 161.32 27.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.762 -0.586 . . . . 0.0 109.968 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.55 -25.07 64.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -52.31 65.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.825 0.85 . . . . 0.0 111.806 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -75.82 -32.87 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.889 0.875 . . . . 0.0 109.838 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -55.88 -35.05 66.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.254 1.022 . . . . 0.0 112.716 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -68.19 -27.07 66.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.49 -23.0 61.72 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.691 0.796 . . . . 0.0 110.608 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -96.7 -47.4 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.945 0.898 . . . . 0.0 109.814 -170.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 N--CA 1.455 -0.221 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.03 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.92 151.03 20.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.054 0.541 . . . . 0.0 111.505 173.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.75 122.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.22 150.48 32.28 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.67 1.588 . . . . 0.0 108.759 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . 0.512 HG22 ' CG ' ' E' ' 29' ' ' GLN . 2.8 m -130.44 102.27 6.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.917 0.326 . . . . 0.0 110.715 171.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.42 ' CZ ' HG21 ' F' ' 22' ' ' ILE . 0.0 OUTLIER -134.72 162.17 33.08 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.457 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -100.01 171.17 8.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -61.74 142.85 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.867 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.87 -1.96 84.9 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 123.746 0.689 . . . . 0.0 113.998 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -91.12 -178.97 5.32 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.323 1.049 . . . . 0.0 111.516 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -146.59 153.31 40.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.782 0.833 . . . . 0.0 111.688 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.58 151.85 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.367 1.467 . . . . 0.0 108.447 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -127.28 150.03 49.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.576 -0.703 . . . . 0.0 112.607 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.8 mt -136.03 141.9 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.559 1.144 . . . . 0.0 108.979 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.86 -136.92 49.84 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -121.35 10.08 10.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.327 1.051 . . . . 0.0 111.508 175.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.79 -23.8 0.77 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -169.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.38 136.39 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 119.05 0.841 . . . . 0.0 110.45 -172.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -128.24 136.82 51.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.264 1.026 . . . . 0.0 110.191 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -112.02 140.33 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.959 1.304 . . . . 0.0 108.085 169.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -134.92 135.97 41.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.774 0.829 . . . . 0.0 109.659 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . 0.42 HG21 ' CZ ' ' F' ' 6' ' ' ARG . 1.4 tp -96.57 116.53 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.92 -27.0 28.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.885 0.474 . . . . 0.0 110.542 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.36 -171.71 30.22 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.273 0.463 . . . . 0.0 113.118 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -125.06 159.71 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.258 0.623 . . . . 0.0 112.29 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 20.2 t -148.28 89.94 1.76 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.824 1.25 . . . . 0.0 108.842 169.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 -122.63 29.82 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -73.13 -15.84 61.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' E' ' 5' ' ' THR . 9.6 tt0 -86.39 141.89 28.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 110.808 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.4 113.14 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 126.764 2.026 . . . . 0.0 106.637 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.75 128.17 37.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.625 0.77 . . . . 0.0 108.952 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.29 142.2 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.995 0.918 . . . . 0.0 110.879 -166.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.3 143.11 16.39 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.498 1.046 . . . . 0.0 110.919 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -129.7 135.25 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.134 0.973 . . . . 0.0 108.996 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -134.86 109.22 8.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.602 0.761 . . . . 0.0 109.755 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.32 157.76 74.84 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 123.742 0.817 . . . . 0.0 111.625 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -66.85 162.12 39.12 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.047 2.498 . . . . 0.0 112.148 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -64.15 -16.39 61.78 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.227 1.011 . . . . 0.0 112.752 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.8 -16.74 64.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.133 1.373 . . . . 0.0 112.67 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.36 165.08 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 111.189 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.88 164.03 12.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.248 0.619 . . . . 0.0 111.734 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.07 127.85 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.655 0.782 . . . . 0.0 110.344 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.85 169.1 24.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.075 0.95 . . . . 0.0 110.98 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -87.42 165.43 15.57 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 167.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -22.52 65.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.67 -40.49 88.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.295 0.638 . . . . 0.0 111.131 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.32 -37.93 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.288 0.635 . . . . 0.0 109.303 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . 0.48 ' HA ' HG12 ' F' ' 51' ' ' ILE . 66.3 t80 -55.22 -35.65 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.662 0.785 . . . . 0.0 112.668 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -67.09 -22.0 65.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.428 0.691 . . . . 0.0 112.249 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -85.07 -23.01 28.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.363 0.665 . . . . 0.0 111.446 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.6 mm . . . . . 0 N--CA 1.454 -0.242 0 C-N-CA 123.627 0.771 . . . . 0.0 109.359 171.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.57 116.42 30.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 109.603 -176.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.4 135.27 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.717 0.807 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.7 mt -133.69 159.6 40.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.594 1.158 . . . . 0.0 109.295 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.6 m -124.99 100.99 6.84 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -106.46 136.37 46.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.301 0.64 . . . . 0.0 110.835 -172.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -94.57 156.14 16.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -61.37 129.59 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.586 -169.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.25 -6.31 53.29 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.486 1.041 . . . . 0.0 114.16 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.78 169.57 10.37 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.823 1.312 . . . . 0.0 112.086 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -138.83 149.34 44.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -168.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 32.1 mm -113.97 152.03 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 125.525 1.53 . . . . 0.0 109.885 169.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -123.43 136.08 54.43 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.751 1.221 . . . . 0.0 109.701 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.57 130.26 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.256 1.022 . . . . 0.0 109.425 -172.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.1 24.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -129.99 0.83 4.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.041 0.936 . . . . 0.0 111.847 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -138.81 -9.11 1.38 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -114.26 138.73 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 118.973 0.806 . . . . 0.0 110.431 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -135.36 149.94 49.82 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.513 0.725 . . . . 0.0 109.185 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 mm -130.3 139.56 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.036 1.334 . . . . 0.0 107.925 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.1 m -135.28 128.7 32.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.02 101.81 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -31.58 66.14 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.617 -0.677 . . . . 0.0 110.394 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.44 -171.6 40.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.451 0.94 . . . . 0.0 115.451 165.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.39 146.45 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.377 1.071 . . . . 0.0 111.892 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -137.57 60.92 1.62 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.297 1.439 . . . . 0.0 110.014 -176.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.63 -128.45 8.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -76.37 -15.56 59.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.309 0.555 . . . . 0.0 111.964 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 3.0 pt20 -98.79 148.6 23.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 122.411 1.101 . . . . 0.0 112.7 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.3 121.08 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.432 1.893 . . . . 0.0 109.573 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpp85 -83.57 107.32 15.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.351 . . . . 0.0 111.652 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mt -107.49 139.2 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.577 1.551 . . . . 0.0 109.229 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.59 139.75 15.45 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.081 0.848 . . . . 0.0 111.662 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.51 138.88 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.947 1.299 . . . . 0.0 108.906 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -124.62 74.97 1.37 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.229 1.412 . . . . 0.0 109.395 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.24 153.51 51.56 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.833 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.94 157.17 43.2 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.661 2.241 . . . . 0.0 110.806 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.55 -3.57 9.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.89 -31.01 71.69 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.059 0.944 . . . . 0.0 111.706 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -119.62 143.97 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-O 121.856 0.836 . . . . 0.0 111.483 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 143.04 36.94 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.848 0.859 . . . . 0.0 111.194 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -132.23 119.03 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.54 0.736 . . . . 0.0 109.35 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -151.27 154.33 36.58 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.968 0.507 . . . . 0.0 111.251 -176.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 163.72 23.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.175 -0.328 . . . . 0.0 111.651 169.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -60.15 -34.76 74.0 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -80.24 1.59 27.84 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.449 -0.782 . . . . 0.0 112.674 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 4.8 mt -125.57 -7.95 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.052 1.341 . . . . 0.0 110.893 175.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -80.05 -39.64 29.39 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 120.379 -1.451 . . . . 0.0 110.798 170.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.48 -14.94 60.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.038 0.535 . . . . 0.0 112.225 -172.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 18.8 ptp180 -82.37 -23.4 35.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 111.697 171.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt -77.76 -49.38 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.399 0.68 . . . . 0.0 109.789 175.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 123.352 0.661 . . . . 0.0 111.526 179.407 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.2 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.631 -0.224 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.54 120.69 41.86 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.5 mt -116.71 134.0 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.236 0.614 . . . . 0.0 111.499 -165.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -138.81 148.04 43.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.077 1.351 . . . . 0.0 110.686 -169.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.9 m -111.81 120.2 41.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.82 124.49 43.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 110.434 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 36.8 ttpt -88.02 151.98 22.37 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.54 133.98 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-O 121.221 0.534 . . . . 0.0 111.742 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.34 -11.63 68.72 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.131 -0.816 . . . . 0.0 114.484 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -84.1 168.98 15.35 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.854 1.327 . . . . 0.0 111.763 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -138.61 156.78 47.16 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -168.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -129.46 148.29 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 C-N-CA 126.93 2.092 . . . . 0.0 108.956 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -121.16 146.18 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.294 1.038 . . . . 0.0 110.249 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -133.83 129.11 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.868 0.867 . . . . 0.0 110.093 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -134.86 51.38 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.33 5.06 6.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.768 0.827 . . . . 0.0 112.833 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -115.59 -17.98 11.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.99 133.27 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 119.363 0.983 . . . . 0.0 111.453 -169.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -127.24 146.89 50.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.449 1.1 . . . . 0.0 109.785 169.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -129.83 142.06 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.412 1.485 . . . . 0.0 108.367 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -138.45 130.99 29.07 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.034 0.533 . . . . 0.0 110.415 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.05 106.8 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -73.12 -34.06 65.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.95 -0.469 . . . . 0.0 110.615 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.71 171.83 27.18 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.13 147.49 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 121.196 0.522 . . . . 0.0 109.905 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -125.82 74.68 1.44 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.302 1.041 . . . . 0.0 108.613 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -122.03 5.62 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 8.69 42.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.15 -0.618 . . . . 0.0 111.089 172.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -98.97 158.01 15.94 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.176 0.99 . . . . 0.0 109.807 169.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 t -140.98 114.7 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.879 -170.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -83.02 116.71 22.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 109.843 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.45 131.24 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.423 1.089 . . . . 0.0 109.628 -171.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.49 138.17 13.77 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 111.564 -0.615 . . . . 0.0 111.564 172.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -123.12 132.83 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.923 0.889 . . . . 0.0 109.293 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -133.04 79.2 1.83 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.186 -168.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.96 157.61 68.68 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.942 -1.481 . . . . 0.0 109.584 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.37 157.66 34.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.088 1.859 . . . . 0.0 111.67 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -68.99 -0.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.194 0.998 . . . . 0.0 112.2 168.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.85 -25.1 67.04 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.121 1.369 . . . . 0.0 111.306 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -114.36 144.07 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.58 1.152 . . . . 0.0 110.298 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.55 143.05 27.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.297 0.57 . . . . 0.0 111.344 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.24 97.49 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.313 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -144.61 163.46 33.86 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.923 0.889 . . . . 0.0 111.275 178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.8 ptt-85 -66.26 158.01 30.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.325 -0.234 . . . . 0.0 110.909 169.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -54.37 -37.4 64.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.39 0.676 . . . . 0.0 112.394 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.46 -46.52 48.08 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.196 0.453 . . . . 0.0 111.182 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.91 -47.14 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 125.338 1.455 . . . . 0.0 110.035 -172.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -50.1 -36.94 31.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.248 1.019 . . . . 0.0 111.793 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.96 -23.84 64.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -83.92 -38.14 21.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 119.23 0.923 . . . . 0.0 110.913 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.531 HG22 ' NE2' ' B' ' 52' ' ' GLN . 93.2 mt -63.57 -41.23 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.531 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.8 mm-40 -79.4 5.06 13.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 173.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.2 -19.14 47.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.946 0.498 . . . . 0.0 111.456 168.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.93 45.88 0.08 OUTLIER Glycine 0 C--N 1.339 0.697 0 CA-C-O 119.45 -0.639 . . . . 0.0 114.482 168.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.97 -175.98 2.5 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.926 0.863 . . . . 0.0 112.993 -168.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -125.79 177.49 6.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.588 1.555 . . . . 0.0 109.191 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.5 119.14 1.06 Allowed Pre-proline 0 CA--C 1.53 0.21 0 C-N-CA 124.833 1.253 . . . . 0.0 112.176 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 50.6 Cg_exo -71.35 -179.35 3.54 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.649 1.566 . . . . 0.0 114.419 -169.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.557 -176.197 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.426 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.26 102.8 9.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 166.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.9 133.22 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 123.646 0.779 . . . . 0.0 109.437 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -129.97 139.14 51.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.415 1.086 . . . . 0.0 109.555 169.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -101.22 146.25 27.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.265 0.555 . . . . 0.0 110.603 169.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -138.17 143.79 40.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.333 0.653 . . . . 0.0 109.97 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 0.5 OUTLIER -80.89 154.75 26.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 167.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.26 134.14 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 O-C-N 121.512 -0.742 . . . . 0.0 111.431 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -4.79 77.3 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.529 1.062 . . . . 0.0 114.173 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -88.05 175.89 7.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.212 1.506 . . . . 0.0 112.073 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -137.83 158.26 44.72 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -167.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mt -139.33 156.35 26.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.624 2.37 . . . . 0.0 108.801 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -129.5 146.15 51.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.854 1.262 . . . . 0.0 111.377 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -135.16 138.02 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.467 1.107 . . . . 0.0 109.893 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.83 -132.5 51.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -130.0 10.04 5.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.808 0.843 . . . . 0.0 110.976 169.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.6 -10.73 3.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.483 1.113 . . . . 0.0 112.654 -170.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.72 134.49 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.484 0.713 . . . . 0.0 110.398 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.8 m -125.08 144.56 50.35 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.777 0.831 . . . . 0.0 109.722 174.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -126.22 140.45 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 108.524 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -136.67 131.73 34.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.946 -0.471 . . . . 0.0 110.639 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.35 110.43 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.77 -34.19 21.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.53 -171.02 41.99 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 121.965 -0.159 . . . . 0.0 113.307 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 m -120.38 152.84 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.319 0.648 . . . . 0.0 110.933 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -134.11 80.54 1.87 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.889 1.275 . . . . 0.0 108.184 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 -113.84 4.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.061 -1.215 . . . . 0.0 110.061 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.84 -5.74 37.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.978 0.911 . . . . 0.0 112.388 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.14 154.83 26.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.914 0.486 . . . . 0.0 110.129 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -129.53 120.79 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -81.81 114.96 20.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mt -120.25 128.61 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.315 1.446 . . . . 0.0 108.972 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.26 139.64 14.5 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.334 0.969 . . . . 0.0 111.906 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.5 mt -126.82 120.07 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.469 1.108 . . . . 0.0 108.952 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -114.03 102.48 10.22 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.535 0.734 . . . . 0.0 109.703 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.21 155.04 72.62 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.958 0.903 . . . . 0.0 110.395 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.73 153.16 79.11 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.942 2.428 . . . . 0.0 111.24 172.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.75 -0.85 3.23 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.07 -23.26 66.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.302 1.041 . . . . 0.0 111.211 169.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.51 149.58 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.259 1.023 . . . . 0.0 110.712 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 153.11 21.96 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.72 0.408 . . . . 0.0 111.243 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.37 132.1 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.64 154.63 33.28 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.014 0.526 . . . . 0.0 111.517 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -72.2 165.15 24.98 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 166.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -64.17 -30.99 72.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -169.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -47.52 84.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.907 0.883 . . . . 0.0 111.689 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -86.31 -31.53 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.014 0.526 . . . . 0.0 110.521 -172.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -51.66 -37.47 50.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.785 0.834 . . . . 0.0 112.324 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.95 -30.55 67.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.704 0.801 . . . . 0.0 112.572 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -69.2 -37.15 77.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.689 0.796 . . . . 0.0 111.751 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.413 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.5 mp . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.011 0.524 . . . . 0.0 110.155 176.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.523 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.4 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.0 110.34 20.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.55 1.14 . . . . 0.0 109.465 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -103.46 141.04 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.073 1.349 . . . . 0.0 110.072 -176.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt -139.2 165.17 27.88 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 125.037 1.335 . . . . 0.0 111.814 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.06 113.79 24.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.008 0.923 . . . . 0.0 108.778 165.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -117.88 143.81 45.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.114 0.565 . . . . 0.0 109.979 169.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.32 163.5 21.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.27 0.557 . . . . 0.0 110.792 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -52.21 135.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.826 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.51 78.72 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.299 0.952 . . . . 0.0 114.285 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -103.51 174.93 5.65 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.896 1.348 . . . . 0.0 112.237 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -133.16 157.63 44.86 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -140.72 162.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 C-N-CA 126.549 1.94 . . . . 0.0 108.597 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -138.66 147.84 43.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.46 1.104 . . . . 0.0 112.039 -172.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.5 137.23 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.785 1.234 . . . . 0.0 109.118 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.98 51.32 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -124.33 7.95 8.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 111.811 172.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -133.24 -8.88 2.96 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.64 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.875 0.761 . . . . 0.0 110.625 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 73.9 m -132.16 144.86 50.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.323 1.049 . . . . 0.0 110.001 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -123.88 140.25 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.412 1.485 . . . . 0.0 108.303 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -132.75 123.77 26.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.19 108.12 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -78.55 -33.16 48.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.247 0.619 . . . . 0.0 110.527 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.82 -175.95 41.35 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 112.774 -0.13 . . . . 0.0 112.774 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.96 160.27 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.994 0.517 . . . . 0.0 110.649 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -144.0 78.03 1.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.75 0.82 . . . . 0.0 108.91 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 -114.86 3.97 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.429 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 71.6 mt-30 -90.58 -9.42 47.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.537 0.735 . . . . 0.0 110.761 173.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.68 150.85 42.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.652 0.739 . . . . 0.0 111.466 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.48 112.11 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -91.98 111.48 23.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.509 1.124 . . . . 0.0 108.555 -175.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -120.35 123.95 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.637 0.775 . . . . 0.0 110.275 -169.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.21 136.17 13.74 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' C' ' 1' ' ' MET . 65.3 mt -126.51 139.5 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -138.08 100.5 4.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -171.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.05 155.49 80.05 Favored Pre-proline 0 N--CA 1.451 -0.408 0 C-N-CA 124.402 1.081 . . . . 0.0 109.733 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.3 151.34 83.0 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.308 2.005 . . . . 0.0 110.87 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.13 -2.14 7.36 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -22.47 66.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.631 1.172 . . . . 0.0 111.407 168.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.62 159.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.293 1.037 . . . . 0.0 110.789 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.4 157.12 16.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 112.274 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.17 127.02 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 O-C-N 121.682 -0.636 . . . . 0.0 110.615 168.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -151.06 167.48 27.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.989 0.916 . . . . 0.0 111.243 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -65.11 156.28 32.13 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.56 -34.95 74.91 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-N 119.305 0.957 . . . . 0.0 111.565 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -55.73 -34.12 64.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.482 0.713 . . . . 0.0 112.27 173.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 38.4 mm -94.73 -38.2 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.061 1.344 . . . . 0.0 110.337 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.58 -43.21 75.76 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.76 0.424 . . . . 0.0 110.103 169.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.25 -22.23 64.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mtt85 -75.85 -40.1 55.37 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.857 0.863 . . . . 0.0 110.996 169.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 77.8 mt . . . . . 0 N--CA 1.452 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 178.94 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpt . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 118.523 2.786 . . . . 0.0 118.523 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 137.57 34.68 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.801 2.041 . . . . 0.0 107.093 163.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.53 129.89 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.483 0.713 . . . . 0.0 109.603 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.7 159.14 25.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.269 1.828 . . . . 0.0 110.276 -174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -143.57 110.33 5.58 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 167.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.423 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.1 mmp_? -133.57 141.06 47.52 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.202 1.001 . . . . 0.0 110.279 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . 0.409 ' HE3' ' OE1' ' F' ' 29' ' ' GLN . 9.5 ptpp? -94.52 167.46 11.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -56.79 136.36 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.225 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.51 -5.51 83.8 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.124 -0.82 . . . . 0.0 114.307 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -89.88 170.52 10.32 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.88 1.34 . . . . 0.0 111.71 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -137.75 162.88 32.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.591 0.71 . . . . 0.0 112.781 -169.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . 0.423 HD11 ' HG3' ' E' ' 6' ' ' ARG . 28.5 mt -151.92 156.68 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.807 2.043 . . . . 0.0 108.285 -168.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -141.18 152.97 45.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 32.6 mt -137.4 137.54 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.908 1.283 . . . . 0.0 108.883 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.46 -137.61 48.8 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.796 -0.521 . . . . 0.0 111.796 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -124.68 10.04 8.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.334 1.054 . . . . 0.0 111.473 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -138.56 -8.0 1.47 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.54 136.21 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.911 0.778 . . . . 0.0 110.726 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.8 m -130.29 143.84 51.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.472 1.109 . . . . 0.0 110.151 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -125.95 138.22 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.275 1.43 . . . . 0.0 108.328 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 78.4 m -135.16 129.47 33.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.05 0.54 . . . . 0.0 109.873 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.1 111.13 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.92 -32.39 51.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.023 0.529 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.05 -171.3 35.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 123.592 0.615 . . . . 0.0 113.399 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 m -123.05 159.68 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 123.873 0.869 . . . . 0.0 112.111 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -147.14 89.84 1.84 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.132 1.373 . . . . 0.0 109.012 169.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.19 -113.32 4.85 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -91.4 -20.52 21.71 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.466 0.633 . . . . 0.0 111.786 175.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -71.67 136.3 47.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.552 0.741 . . . . 0.0 109.534 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.63 117.98 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -95.04 107.63 19.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.416 1.486 . . . . 0.0 107.372 -171.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.9 135.98 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.847 0.859 . . . . 0.0 110.959 -167.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.86 142.17 15.81 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.227 0.918 . . . . 0.0 111.689 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -132.4 132.57 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.565 1.546 . . . . 0.0 108.626 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -134.67 101.47 4.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.44 155.25 77.17 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.682 1.193 . . . . 0.0 110.515 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 157.03 45.35 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.87 2.38 . . . . 0.0 112.149 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.11 -0.93 10.73 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.91 -23.32 66.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.453 1.101 . . . . 0.0 111.702 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.01 157.63 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 110.527 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.49 157.93 16.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.871 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . 0.429 HG13 HD12 ' F' ' 2' ' ' LEU . 0.4 OUTLIER -155.03 127.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.99 0.516 . . . . 0.0 110.345 169.529 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -150.11 169.38 21.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.63 1.172 . . . . 0.0 109.258 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 27.0 ptt-85 -81.59 165.8 20.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.654 -0.654 . . . . 0.0 110.731 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.39 -28.21 69.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -169.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.44 -45.07 89.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.332 1.053 . . . . 0.0 111.94 173.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.58 -34.61 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 123.73 0.812 . . . . 0.0 109.768 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -53.21 -30.96 40.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.305 1.042 . . . . 0.0 112.867 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -59.72 -21.83 61.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.992 1.317 . . . . 0.0 113.089 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.03 -52.58 9.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.367 0.667 . . . . 0.0 111.643 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.49 -63.02 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 127.367 2.267 . . . . 0.0 113.719 -168.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' H ' ' E' ' 52' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.097 0.959 . . . . 0.0 113.206 -170.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . 0.429 HD12 HG13 ' E' ' 42' ' ' VAL . 7.1 mt -96.77 150.38 20.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.775 0.43 . . . . 0.0 111.4 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -130.25 137.98 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -131.79 159.94 37.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.526 1.13 . . . . 0.0 110.261 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.79 96.96 5.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -106.54 131.6 53.52 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.952 1.701 . . . . 0.0 109.428 -174.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -98.21 167.77 10.66 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 120.364 1.438 . . . . 0.0 113.072 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -55.99 135.79 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.987 -171.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.64 77.26 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.305 0.955 . . . . 0.0 113.764 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -95.54 174.64 6.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.477 1.138 . . . . 0.0 111.948 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -136.33 159.57 41.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 61.1 mt -137.73 157.48 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.416 1.886 . . . . 0.0 108.536 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -133.21 148.15 52.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 112.311 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.83 139.56 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.347 1.059 . . . . 0.0 109.062 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.14 -134.73 52.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -128.26 10.08 6.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.135 0.974 . . . . 0.0 112.366 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.32 -15.76 4.06 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -106.85 136.34 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.089 0.859 . . . . 0.0 110.746 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -132.49 141.48 48.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.449 1.1 . . . . 0.0 110.09 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -122.29 143.05 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.404 1.482 . . . . 0.0 108.376 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -136.38 129.8 31.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.244 0.617 . . . . 0.0 110.05 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . 0.41 HG22 ' H ' ' F' ' 22' ' ' ILE . 1.7 tp -85.87 107.52 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.18 -29.23 42.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.801 -0.562 . . . . 0.0 111.418 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.8 35.72 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 123.0 0.334 . . . . 0.0 113.431 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.2 156.28 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 123.279 0.632 . . . . 0.0 111.679 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -150.07 106.72 3.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.379 1.072 . . . . 0.0 108.766 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.5 -117.7 7.92 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -96.31 -13.81 23.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 117.294 0.547 . . . . 0.0 111.51 171.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . 0.409 ' OE1' ' HE3' ' E' ' 7' ' ' LYS . 3.5 mp0 -76.54 144.89 39.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.762 0.792 . . . . 0.0 109.869 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.7 t -131.14 115.65 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -87.08 130.12 34.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.861 0.864 . . . . 0.0 108.943 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -135.22 143.76 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.366 0.666 . . . . 0.0 110.787 -167.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.4 137.16 13.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -125.39 134.85 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.259 1.024 . . . . 0.0 108.77 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -136.58 102.62 4.98 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.023 0.529 . . . . 0.0 110.098 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.47 159.24 73.34 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.102 0.961 . . . . 0.0 111.157 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.81 162.76 27.34 Favored 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 122.855 2.37 . . . . 0.0 112.106 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.43 -7.52 19.95 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.755 0.822 . . . . 0.0 112.783 169.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.9 -22.06 66.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.565 1.546 . . . . 0.0 112.342 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -128.01 161.78 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.046 0.938 . . . . 0.0 111.125 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 163.67 13.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.132 0.573 . . . . 0.0 111.485 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.0 120.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.52 0.728 . . . . 0.0 110.113 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -153.61 173.99 15.05 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.905 0.882 . . . . 0.0 110.441 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 159.68 28.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.63 -20.91 66.49 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -169.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.64 -43.37 84.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.693 0.797 . . . . 0.0 111.717 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mm -86.63 -30.8 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 123.547 0.739 . . . . 0.0 109.638 -174.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . 0.503 ' HA ' HG12 ' F' ' 51' ' ' ILE . 73.6 t80 -53.63 -34.81 59.81 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.842 0.857 . . . . 0.0 112.814 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.75 -21.88 66.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.545 0.738 . . . . 0.0 112.403 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.75 -25.13 28.48 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.329 0.652 . . . . 0.0 111.045 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' F' ' 48' ' ' TYR . 4.7 mm . . . . . 0 N--CA 1.455 -0.194 0 C-N-CA 123.617 0.767 . . . . 0.0 109.556 171.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.73 115.68 30.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.811 . . . . 0.0 110.061 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.64 134.92 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.601 0.76 . . . . 0.0 109.771 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.8 mt -134.99 158.75 43.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.841 1.256 . . . . 0.0 110.034 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.8 m -127.98 119.27 25.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.681 0.792 . . . . 0.0 110.258 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -131.22 138.45 49.37 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.701 0.682 . . . . 0.0 111.459 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.2 159.43 20.11 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 118.791 0.723 . . . . 0.0 110.106 168.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.428 HG13 ' HA2' ' A' ' 24' ' ' GLY . 67.5 t -41.07 128.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.561 0.745 . . . . 0.0 110.916 169.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.63 -5.0 61.99 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.162 0.887 . . . . 0.0 114.543 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -96.63 167.4 11.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.885 1.342 . . . . 0.0 111.89 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -136.85 147.28 46.43 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 25.5 mm -112.09 154.39 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 125.434 1.494 . . . . 0.0 110.057 169.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -125.48 133.41 52.41 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.365 1.066 . . . . 0.0 110.438 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 mm -121.96 126.51 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.877 1.271 . . . . 0.0 109.413 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.86 -126.9 30.04 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.95 -0.24 5.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.874 0.87 . . . . 0.0 112.176 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -133.68 -17.52 2.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -169.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -110.89 133.83 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.135 0.88 . . . . 0.0 110.453 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -128.14 144.38 51.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.729 0.812 . . . . 0.0 109.713 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.82 139.57 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.864 1.266 . . . . 0.0 108.399 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -135.51 132.15 36.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 110.389 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -80.75 95.6 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.02 -31.48 71.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.97 -170.14 43.0 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 123.153 0.406 . . . . 0.0 112.721 169.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.38 159.27 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.513 0.725 . . . . 0.0 111.666 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -137.97 72.62 1.42 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.726 1.21 . . . . 0.0 109.369 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -118.08 7.82 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -79.77 -2.77 44.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 111.979 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -98.92 154.64 17.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.913 0.863 . . . . 0.0 111.858 170.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.96 117.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.045 1.738 . . . . 0.0 108.264 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -105.32 101.9 11.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 110.542 -170.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.6 mt -107.37 134.42 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.059 1.344 . . . . 0.0 109.655 -171.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.52 137.72 13.75 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -110.06 133.34 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 125.186 1.394 . . . . 0.0 108.251 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -119.55 75.49 1.07 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.736 1.214 . . . . 0.0 109.184 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.46 153.23 44.25 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.321 1.448 . . . . 0.0 110.559 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.79 153.32 58.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.428 2.086 . . . . 0.0 110.515 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -66.85 -6.85 17.9 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -67.72 -25.73 65.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 112.229 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.4 144.02 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.847 0.832 . . . . 0.0 111.88 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.56 143.07 40.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.406 1.082 . . . . 0.0 111.407 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -129.27 121.04 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.513 0.725 . . . . 0.0 109.606 170.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -149.49 169.23 21.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.666 0.786 . . . . 0.0 111.151 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -104.19 164.38 11.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.401 0.281 . . . . 0.0 111.634 169.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -23.98 66.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.6 -23.95 66.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.914 0.886 . . . . 0.0 112.014 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -119.31 -28.94 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.629 1.172 . . . . 0.0 110.833 -169.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.35 -33.1 74.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.385 -0.822 . . . . 0.0 110.441 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -75.05 -15.82 60.61 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.496 0.718 . . . . 0.0 111.657 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -39.22 36.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.024 0.93 . . . . 0.0 110.731 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.577 HG22 HE21 ' A' ' 52' ' ' GLN . 69.6 mt -60.88 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.714 0.806 . . . . 0.0 109.34 174.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.577 HE21 HG22 ' A' ' 51' ' ' ILE . 80.7 mm-40 . . . . . 0 N--CA 1.451 -0.386 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -175.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.6 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.416 -0.325 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.77 121.64 45.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.19 138.97 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.639 0.375 . . . . 0.0 111.875 -165.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -135.55 126.61 27.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.37 1.068 . . . . 0.0 110.688 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.4 m -87.38 102.09 14.19 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.113 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.9 167.44 11.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.201 1.401 . . . . 0.0 109.609 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -132.08 162.38 30.95 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.513 0.597 . . . . 0.0 110.954 167.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -62.84 129.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.035 -169.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -5.0 71.21 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 118.985 -0.897 . . . . 0.0 114.763 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.01 169.48 13.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -135.81 157.41 46.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.322 0.649 . . . . 0.0 112.215 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.2 mt -129.0 153.71 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.157 1.783 . . . . 0.0 109.612 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -134.1 135.71 43.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.859 0.864 . . . . 0.0 110.393 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.1 mt -131.61 128.96 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.853 0.861 . . . . 0.0 109.703 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -133.31 52.74 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -172.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -129.23 4.98 5.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.646 0.778 . . . . 0.0 112.866 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -111.29 -19.09 12.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.04 135.68 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 119.067 0.849 . . . . 0.0 111.269 -169.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.41 148.77 52.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.726 1.21 . . . . 0.0 109.569 169.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -128.69 144.89 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.82 1.648 . . . . 0.0 107.87 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -135.5 128.85 32.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.825 0.45 . . . . 0.0 109.979 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -86.19 94.55 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -67.23 -32.6 73.74 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.09 -0.381 . . . . 0.0 111.268 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.95 -179.06 36.66 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-O 120.811 0.117 . . . . 0.0 112.897 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.79 151.94 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.484 0.659 . . . . 0.0 110.732 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -130.06 71.84 1.46 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.468 1.507 . . . . 0.0 107.657 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.88 -119.81 5.16 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -170.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.46 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -101.1 11.76 38.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 122.098 -0.648 . . . . 0.0 111.502 173.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.96 153.68 18.65 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.827 1.251 . . . . 0.0 108.959 169.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 t -137.79 119.06 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.043 0.537 . . . . 0.0 109.927 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.88 120.31 30.17 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 125.008 1.323 . . . . 0.0 109.69 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.17 129.61 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.243 1.017 . . . . 0.0 109.671 -170.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.26 15.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 56.7 mt -125.39 130.45 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.841 0.856 . . . . 0.0 109.259 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -130.27 77.68 1.8 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.618 -1.173 . . . . 0.0 109.39 -168.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.99 158.28 66.49 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.726 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.38 155.42 62.29 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.919 1.746 . . . . 0.0 110.832 168.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -68.5 -0.59 5.21 Favored 'General case' 0 C--N 1.334 -0.077 0 C-N-CA 124.49 1.116 . . . . 0.0 113.189 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.82 -23.08 66.61 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.666 169.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.86 144.11 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.713 1.205 . . . . 0.0 109.804 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.52 143.0 27.93 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.297 0.57 . . . . 0.0 111.116 170.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 t -142.43 96.54 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.73 -166.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -146.91 161.61 40.38 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.381 0.672 . . . . 0.0 111.735 178.752 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 11.9 ptt180 -65.07 157.15 29.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.548 0.739 . . . . 0.0 111.395 169.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -56.58 -40.93 76.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.334 0.654 . . . . 0.0 112.396 -173.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -69.11 -4.36 17.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mm -104.02 -50.65 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.019 0.928 . . . . 0.0 109.925 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -50.26 -37.1 34.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.873 1.269 . . . . 0.0 112.107 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -69.86 -22.24 63.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -78.2 -41.5 34.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.034 0.834 . . . . 0.0 110.375 169.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.501 HG22 ' NE2' ' B' ' 52' ' ' GLN . 98.6 mt -64.9 -38.67 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.334 0.654 . . . . 0.0 109.403 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.501 ' NE2' HG22 ' B' ' 51' ' ' ILE . 29.0 mm-40 -80.7 5.0 16.95 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 173.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.68 -19.9 37.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.335 0.654 . . . . 0.0 111.779 169.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.95 47.64 0.07 OUTLIER Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.49 -0.617 . . . . 0.0 114.446 169.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.3 pp -168.98 -176.57 2.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.818 0.809 . . . . 0.0 112.706 -168.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.6 p -126.9 -177.34 3.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.404 1.481 . . . . 0.0 109.537 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.99 121.48 2.41 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.276 1.031 . . . . 0.0 111.561 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -65.5 171.49 9.34 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.028 1.819 . . . . 0.0 114.621 -169.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.695 -176.314 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.88 110.75 23.15 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.79 133.14 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.458 0.703 . . . . 0.0 109.511 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.68 140.14 52.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.919 0.888 . . . . 0.0 110.181 169.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.2 p -107.16 132.83 52.6 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.713 0.805 . . . . 0.0 111.044 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.13 143.38 29.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.065 0.546 . . . . 0.0 111.276 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -82.8 166.22 19.2 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.857 0.863 . . . . 0.0 109.617 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.81 142.45 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 O-C-N 121.371 -0.831 . . . . 0.0 111.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.03 -2.99 82.42 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.933 1.254 . . . . 0.0 114.695 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.39 -177.76 6.84 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.527 1.664 . . . . 0.0 112.611 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.9 m -141.04 146.68 37.52 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.56 1.144 . . . . 0.0 112.472 -167.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -139.53 145.56 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 125.868 1.667 . . . . 0.0 108.902 -175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -122.52 142.72 50.29 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.835 0.854 . . . . 0.0 111.667 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -135.04 137.88 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.708 1.203 . . . . 0.0 109.415 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -132.93 49.46 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -170.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -129.63 10.04 5.56 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.696 0.798 . . . . 0.0 111.257 169.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.5 -7.82 5.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.527 1.131 . . . . 0.0 112.733 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.21 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.678 0.791 . . . . 0.0 110.471 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.4 m -129.68 136.43 49.7 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.219 1.008 . . . . 0.0 109.386 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -114.3 136.51 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.109 0.964 . . . . 0.0 108.557 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -121.51 136.8 54.93 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.122 0.969 . . . . 0.0 109.984 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -96.09 118.64 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.3 mt -91.1 -38.55 12.69 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -176.8 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.99 -174.77 42.3 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.722 -0.751 . . . . 0.0 114.142 168.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -121.98 146.83 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.384 0.674 . . . . 0.0 111.145 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -143.43 111.16 5.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -142.07 29.72 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.137 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.46 3.52 39.87 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.318 1.047 . . . . 0.0 110.779 168.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.18 139.31 30.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.895 1.678 . . . . 0.0 110.347 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -130.8 113.66 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -170.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.73 111.1 15.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.695 0.679 . . . . 0.0 109.212 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -113.46 132.82 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.433 1.493 . . . . 0.0 109.146 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.51 145.09 16.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.353 0.977 . . . . 0.0 111.722 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.7 mt -128.18 121.04 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.537 1.135 . . . . 0.0 108.716 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -115.71 102.45 9.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.554 0.742 . . . . 0.0 109.619 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 155.26 63.44 Favored Pre-proline 0 N--CA 1.452 -0.371 0 C-N-CA 124.118 0.967 . . . . 0.0 109.846 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.34 154.11 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.766 2.311 . . . . 0.0 111.363 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -66.04 -0.98 2.69 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.96 -22.06 66.46 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.39 0.676 . . . . 0.0 111.439 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -123.11 146.84 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.068 0.947 . . . . 0.0 110.641 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.9 153.77 22.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.776 0.431 . . . . 0.0 110.952 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -136.65 131.73 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.109 0.564 . . . . 0.0 109.967 171.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -156.6 164.63 37.97 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -75.71 157.65 33.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 165.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.32 -32.92 70.51 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.75 -44.27 81.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.767 0.827 . . . . 0.0 111.712 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.26 -29.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.359 0.664 . . . . 0.0 110.793 -171.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -51.52 -36.32 44.26 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.601 0.76 . . . . 0.0 112.363 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.69 -29.67 69.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.503 0.721 . . . . 0.0 112.395 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.95 -38.35 76.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.207 0.603 . . . . 0.0 111.565 174.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 N--CA 1.455 -0.218 0 O-C-N 122.106 -0.371 . . . . 0.0 110.041 179.125 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.446 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.6 tpp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -112.69 112.26 23.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.655 1.582 . . . . 0.0 109.271 170.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.446 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.8 mp -103.97 139.45 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.028 1.331 . . . . 0.0 109.495 -177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.19 154.91 34.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.839 0.856 . . . . 0.0 110.96 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -84.33 146.84 27.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.089 -0.382 . . . . 0.0 110.863 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' D' ' 6' ' ' ARG . 0.9 OUTLIER -136.93 133.6 35.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.536 0.735 . . . . 0.0 110.305 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -82.53 155.96 24.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.032 0.378 . . . . 0.0 110.545 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.597 HG11 HG12 ' D' ' 25' ' ' VAL . 27.1 m -50.52 136.99 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.614 170.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.02 -6.82 82.99 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.075 0.845 . . . . 0.0 114.311 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.62 174.48 7.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.875 1.337 . . . . 0.0 111.665 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -134.38 159.23 41.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.606 0.717 . . . . 0.0 112.831 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.6 mt -138.47 158.98 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 127.044 2.138 . . . . 0.0 108.398 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -139.03 147.84 42.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.989 0.915 . . . . 0.0 111.689 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.7 mt -136.5 134.01 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.636 1.174 . . . . 0.0 109.298 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.14 -137.46 50.31 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.78 1.03 11.0 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.708 0.803 . . . . 0.0 112.342 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -129.62 -9.46 4.54 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -171.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.5 134.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.914 0.779 . . . . 0.0 110.747 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -128.39 147.27 50.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.431 1.092 . . . . 0.0 109.91 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -130.32 142.68 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.667 1.587 . . . . 0.0 108.067 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -137.37 128.68 28.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.42 93.71 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.48 -33.74 76.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 110.742 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.58 -178.62 43.79 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 121.3 0.389 . . . . 0.0 113.386 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.597 HG12 HG11 ' D' ' 8' ' ' VAL . 10.0 p -126.36 127.72 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.202 1.401 . . . . 0.0 109.285 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -130.17 84.57 2.21 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.532 1.133 . . . . 0.0 109.038 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.73 -113.93 5.06 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -170.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -95.26 -8.25 36.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.825 0.85 . . . . 0.0 110.503 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.8 151.85 37.44 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.736 0.779 . . . . 0.0 112.065 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -128.79 115.6 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 113.632 -1.622 . . . . 0.0 107.223 169.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -94.58 111.56 23.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.911 1.284 . . . . 0.0 108.47 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.98 125.21 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 122.969 0.508 . . . . 0.0 110.83 -168.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.35 135.97 13.42 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.39 137.78 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -137.95 95.4 3.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.46 154.24 80.74 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 124.56 1.144 . . . . 0.0 109.351 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -59.95 149.75 82.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.197 1.931 . . . . 0.0 110.725 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.07 -2.9 6.11 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.98 -22.45 66.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.802 1.241 . . . . 0.0 111.677 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.08 159.78 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.226 1.01 . . . . 0.0 110.669 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.29 157.07 16.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.149 0.579 . . . . 0.0 112.27 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.51 126.79 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 121.756 -0.59 . . . . 0.0 110.29 168.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -149.31 164.38 35.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 110.576 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -75.75 157.16 33.87 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.028 -0.42 . . . . 0.0 110.414 168.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -56.84 -36.41 69.96 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.878 0.871 . . . . 0.0 112.284 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -56.36 -45.96 80.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.495 0.718 . . . . 0.0 111.526 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -78.88 -40.96 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.92 0.888 . . . . 0.0 110.221 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.65 -42.53 24.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.047 0.939 . . . . 0.0 111.948 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.35 -21.38 59.73 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.258 1.023 . . . . 0.0 113.086 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -83.35 -33.48 25.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.649 HD12 ' N ' ' D' ' 51' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.454 -0.259 0 C-N-CA 125.477 1.511 . . . . 0.0 108.608 169.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ptm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.62 143.18 32.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.941 1.696 . . . . 0.0 109.346 175.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.5 141.23 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.099 0.96 . . . . 0.0 110.119 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -136.62 164.26 28.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.89 1.676 . . . . 0.0 110.779 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -137.95 97.19 3.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.54 144.67 40.4 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.853 1.261 . . . . 0.0 111.805 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -84.31 161.23 20.52 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.748 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.17 139.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.77 0.319 . . . . 0.0 111.275 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -4.09 86.47 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 119.293 -0.726 . . . . 0.0 114.089 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -88.13 174.34 8.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.757 1.279 . . . . 0.0 111.908 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -139.1 157.18 46.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.521 0.677 . . . . 0.0 112.24 -173.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -140.57 158.05 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 126.73 2.012 . . . . 0.0 107.619 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.97 152.05 49.71 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.452 -0.78 . . . . 0.0 113.035 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -137.24 137.94 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.951 1.3 . . . . 0.0 109.048 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.27 -136.56 49.51 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -125.18 10.0 8.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.298 1.039 . . . . 0.0 111.483 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.32 -8.35 1.31 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -117.68 135.25 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.061 0.846 . . . . 0.0 110.762 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.7 m -127.89 143.7 51.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.584 1.154 . . . . 0.0 110.136 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -122.39 138.5 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.365 1.466 . . . . 0.0 108.25 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -133.72 126.78 31.44 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.034 0.534 . . . . 0.0 109.935 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.22 107.88 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.05 -30.48 62.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.756 0.422 . . . . 0.0 110.429 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.23 -174.34 31.2 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.545 0.593 . . . . 0.0 113.085 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 m -112.72 159.82 12.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.522 0.729 . . . . 0.0 111.927 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -146.89 89.92 1.86 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.075 1.35 . . . . 0.0 109.072 170.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.89 -111.32 4.04 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -94.5 -19.15 20.8 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.386 0.593 . . . . 0.0 111.551 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.46 146.74 50.1 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.273 0.558 . . . . 0.0 110.395 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -135.76 113.69 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -88.12 124.03 33.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.1 129.99 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.441 0.696 . . . . 0.0 110.587 -168.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.18 139.43 14.68 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 124.183 0.897 . . . . 0.0 111.255 170.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -131.74 127.64 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.864 1.266 . . . . 0.0 108.785 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.17 98.99 4.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 155.06 78.61 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.647 1.179 . . . . 0.0 110.701 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.44 157.95 43.41 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 122.949 2.433 . . . . 0.0 112.007 171.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -72.15 -1.0 13.37 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.435 0.694 . . . . 0.0 112.592 173.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.59 -23.0 66.13 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.665 1.186 . . . . 0.0 111.857 169.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.39 160.99 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.966 0.907 . . . . 0.0 110.838 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.01 156.11 16.45 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.234 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.03 125.69 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.024 0.53 . . . . 0.0 110.2 168.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -150.5 166.69 29.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.2 1.0 . . . . 0.0 110.165 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -79.14 162.17 25.98 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.786 -0.571 . . . . 0.0 109.959 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.15 -21.88 62.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.94 -48.84 70.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.011 0.924 . . . . 0.0 111.638 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.0 -32.42 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.384 0.673 . . . . 0.0 109.85 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -53.54 -37.82 63.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.415 0.686 . . . . 0.0 112.189 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -66.89 -22.08 65.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -74.07 -23.0 59.3 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.537 0.735 . . . . 0.0 111.31 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.29 -40.48 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 112.333 178.71 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -96.78 148.96 22.37 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.808 0.443 . . . . 0.0 111.26 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.31 124.95 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.87 155.68 28.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.693 1.597 . . . . 0.0 109.644 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.81 108.41 11.45 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 168.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 125.85 48.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.69 1.196 . . . . 0.0 110.197 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.74 165.78 12.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.571 1.078 . . . . 0.0 112.571 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.48 134.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.434 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.08 -3.33 76.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.312 0.958 . . . . 0.0 114.161 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -97.91 171.74 8.09 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.485 1.143 . . . . 0.0 111.542 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -133.37 156.85 46.91 Favored 'General case' 0 C--N 1.338 0.109 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -168.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -136.97 156.43 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.758 2.023 . . . . 0.0 108.158 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -131.97 149.11 52.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.439 -0.788 . . . . 0.0 112.293 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -136.29 141.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.51 1.124 . . . . 0.0 109.034 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.83 47.26 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -173.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -121.7 10.08 10.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.075 0.95 . . . . 0.0 112.485 173.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -132.98 -22.58 2.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.7 137.84 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.258 0.935 . . . . 0.0 110.958 -170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -126.13 141.72 51.82 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.155 0.982 . . . . 0.0 110.28 174.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.13 138.6 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.487 1.515 . . . . 0.0 108.328 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.79 128.32 32.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.124 0.57 . . . . 0.0 109.886 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.08 107.7 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.49 -28.99 37.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.311 0.644 . . . . 0.0 111.078 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.68 -172.26 35.52 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 123.289 0.471 . . . . 0.0 112.931 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.86 149.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.242 0.617 . . . . 0.0 111.346 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -138.59 89.93 2.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.87 1.268 . . . . 0.0 108.686 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.49 -125.8 34.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 -171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.13 -17.87 54.26 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.96 143.59 37.49 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.42 0.629 . . . . 0.0 110.265 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.63 120.98 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 ttm105 -90.77 124.16 34.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.935 0.894 . . . . 0.0 108.93 -173.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.26 139.59 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.448 0.699 . . . . 0.0 110.333 -167.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.72 140.59 16.44 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.138 0.875 . . . . 0.0 111.013 173.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.76 135.36 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.107 0.963 . . . . 0.0 109.552 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -129.01 104.35 7.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.028 0.931 . . . . 0.0 109.286 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.38 158.77 63.02 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 111.342 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.43 161.88 36.18 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.845 2.363 . . . . 0.0 111.882 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -62.69 -18.13 61.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.845 0.858 . . . . 0.0 112.498 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.58 -18.25 64.93 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.144 1.378 . . . . 0.0 113.094 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -128.77 161.3 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.549 0.739 . . . . 0.0 111.244 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.33 163.76 13.12 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.255 0.622 . . . . 0.0 111.783 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.04 125.04 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.496 0.719 . . . . 0.0 110.243 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.06 178.41 9.48 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.186 0.995 . . . . 0.0 110.764 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -71.77 160.95 31.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 169.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.37 -26.53 68.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.452 0.301 . . . . 0.0 111.73 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.31 -43.76 98.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.826 0.85 . . . . 0.0 111.637 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -84.7 -31.28 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.55 0.74 . . . . 0.0 109.636 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . 0.478 ' HA ' HG12 ' F' ' 51' ' ' ILE . 70.0 t80 -52.91 -34.51 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.917 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.59 -23.99 66.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.204 0.602 . . . . 0.0 112.327 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.19 -24.14 32.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.321 0.648 . . . . 0.0 111.023 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.0 mm . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 123.79 0.836 . . . . 0.0 109.241 169.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.1 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.113 -0.47 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.61 114.26 25.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.669 0.788 . . . . 0.0 109.686 -176.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.11 134.9 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.582 0.753 . . . . 0.0 109.282 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -131.68 162.22 30.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.239 1.016 . . . . 0.0 109.691 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -122.75 118.48 28.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -127.2 133.04 50.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.246 0.618 . . . . 0.0 111.366 -167.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 153.3 18.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.168 0.44 . . . . 0.0 110.723 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.8 t -44.71 125.23 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.321 0.649 . . . . 0.0 110.647 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 -16.56 60.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.208 0.909 . . . . 0.0 114.295 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -85.39 171.99 11.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.095 1.448 . . . . 0.0 112.053 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -142.0 160.21 40.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -169.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.479 HD11 ' HD2' ' A' ' 6' ' ' ARG . 36.0 mm -127.84 157.38 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.971 2.108 . . . . 0.0 108.454 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -129.78 141.25 50.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.803 1.241 . . . . 0.0 110.523 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt -134.94 134.86 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.294 1.038 . . . . 0.0 109.227 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.4 -131.55 35.28 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -125.2 -1.45 7.67 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.004 0.922 . . . . 0.0 112.334 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.47 -15.79 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.55 137.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 118.706 0.685 . . . . 0.0 110.622 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -134.98 141.91 46.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.113 0.965 . . . . 0.0 109.686 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -123.62 139.53 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.676 1.19 . . . . 0.0 108.572 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 m -135.62 135.43 40.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.446 0.699 . . . . 0.0 109.858 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -85.37 98.68 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -26.5 63.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.922 -0.486 . . . . 0.0 110.12 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.46 -173.86 41.91 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 118.233 0.469 . . . . 0.0 114.008 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.02 154.14 39.69 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 C-N-CA 123.765 0.826 . . . . 0.0 111.919 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 m -141.51 63.09 1.44 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.823 1.249 . . . . 0.0 109.986 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.4 -127.67 8.49 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -169.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -79.63 -11.73 59.85 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -98.74 129.43 45.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.914 1.34 . . . . 0.0 110.473 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.35 121.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.329 -167.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -90.8 101.89 14.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mt -107.56 131.21 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.653 1.181 . . . . 0.0 109.311 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.18 135.23 12.21 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.85 135.25 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.062 1.345 . . . . 0.0 108.103 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -125.41 75.04 1.43 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.336 1.054 . . . . 0.0 109.049 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.57 154.92 42.12 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.101 1.36 . . . . 0.0 111.009 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.46 153.57 55.34 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.532 2.154 . . . . 0.0 110.443 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -69.04 -3.51 13.4 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -69.55 -24.92 63.78 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.891 0.876 . . . . 0.0 111.942 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.08 144.05 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.795 0.807 . . . . 0.0 111.711 173.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 143.0 29.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.122 0.969 . . . . 0.0 110.713 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -131.8 125.26 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.707 0.403 . . . . 0.0 110.389 174.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -153.21 156.8 39.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.679 0.792 . . . . 0.0 110.228 -173.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -84.71 164.2 18.72 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 170.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.499 1.12 . . . . 0.0 111.667 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.14 -12.49 40.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 112.648 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.85 -26.37 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.45 1.1 . . . . 0.0 111.536 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.7 -32.28 73.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.921 0.782 . . . . 0.0 110.976 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -75.09 -14.57 60.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.085 0.554 . . . . 0.0 112.209 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.54 -30.84 52.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.739 0.816 . . . . 0.0 111.001 169.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -71.23 -54.29 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.884 0.874 . . . . 0.0 109.393 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 . . . . . 0 N--CA 1.452 -0.342 0 C-N-CA 123.719 0.807 . . . . 0.0 111.586 -174.112 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.844 -0.122 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.33 122.25 43.36 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.344 1.457 . . . . 0.0 107.62 169.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 52.6 mt -119.69 139.43 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -164.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -143.05 141.28 31.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.795 1.238 . . . . 0.0 111.84 -171.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -91.2 127.45 36.63 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 166.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -127.07 114.94 18.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 110.165 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -82.67 149.18 27.5 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.14 131.52 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 121.131 0.491 . . . . 0.0 111.153 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.01 -8.93 65.47 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.143 -0.809 . . . . 0.0 114.807 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -85.22 168.25 14.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 1.402 . . . . 0.0 111.733 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -132.65 155.75 48.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.759 0.824 . . . . 0.0 112.434 -169.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 33.3 mt -137.02 156.77 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.72 1.608 . . . . 0.0 109.786 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -135.3 141.99 45.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.107 0.963 . . . . 0.0 111.204 -173.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 80.0 mt -134.56 127.58 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.279 1.032 . . . . 0.0 109.441 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.75 -134.24 52.42 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -174.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.92 5.01 5.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.703 0.801 . . . . 0.0 112.759 173.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -112.1 -19.72 12.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.46 136.94 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 118.967 0.803 . . . . 0.0 111.425 -169.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.5 m -131.03 148.56 52.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.956 1.302 . . . . 0.0 109.674 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -130.07 145.2 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.739 1.616 . . . . 0.0 108.393 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -137.54 133.11 34.14 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.994 0.517 . . . . 0.0 110.217 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.67 93.92 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.48 -32.62 74.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.033 -0.417 . . . . 0.0 110.997 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.1 -174.32 36.85 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 169.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -111.14 147.62 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.409 0.623 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -122.81 71.95 1.06 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.559 1.543 . . . . 0.0 108.013 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.36 -122.27 5.76 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.496 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -96.82 10.44 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.066 -0.667 . . . . 0.0 111.484 172.632 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.44 158.41 15.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.346 167.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 t -140.26 117.86 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.085 0.554 . . . . 0.0 109.775 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -87.37 121.27 29.59 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.123 0.969 . . . . 0.0 109.656 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.13 131.43 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.162 0.985 . . . . 0.0 109.8 -169.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 139.71 14.64 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -125.22 130.67 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.836 0.855 . . . . 0.0 109.103 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -131.16 80.24 1.93 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.473 -168.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.0 157.39 72.15 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.85 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.52 157.22 37.63 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 122.119 1.879 . . . . 0.0 111.602 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -71.11 -0.93 10.72 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.837 0.855 . . . . 0.0 112.308 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.89 -23.65 66.68 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.34 1.456 . . . . 0.0 111.887 169.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -114.26 144.13 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.331 1.052 . . . . 0.0 110.274 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.99 142.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.269 0.556 . . . . 0.0 111.711 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.74 97.42 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.673 -166.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.43 166.3 27.62 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 124.252 1.021 . . . . 0.0 111.944 -178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.73 163.57 27.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 122.877 0.471 . . . . 0.0 111.508 169.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.38 -46.52 62.82 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.475 0.71 . . . . 0.0 112.359 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.26 -44.15 33.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.43 0.692 . . . . 0.0 110.905 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mm -81.21 -48.67 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.962 1.305 . . . . 0.0 110.177 -174.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.83 -39.03 37.37 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.753 1.221 . . . . 0.0 111.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -28.23 68.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.149 0.98 . . . . 0.0 112.994 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -77.45 -43.96 30.59 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 118.976 0.807 . . . . 0.0 109.94 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.534 HG22 HE22 ' B' ' 52' ' ' GLN . 97.4 mt -62.77 -37.3 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.211 0.605 . . . . 0.0 109.47 -172.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.534 HE22 HG22 ' B' ' 51' ' ' ILE . 10.9 mm-40 -81.28 1.33 32.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.21 -13.53 58.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.654 0.782 . . . . 0.0 112.273 170.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.45 47.81 0.17 Allowed Glycine 0 CA--C 1.525 0.704 0 CA-C-O 119.719 -0.49 . . . . 0.0 113.774 169.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.46 -177.52 3.2 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 117.471 0.635 . . . . 0.0 112.337 -168.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 54.0 p -129.68 -174.45 3.3 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.177 1.391 . . . . 0.0 109.425 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.58 120.13 2.53 Favored Pre-proline 0 N--CA 1.454 -0.254 0 C-N-CA 123.846 0.858 . . . . 0.0 110.987 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 -47.0 29.45 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.483 2.789 . . . . 0.0 113.362 -169.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 124.145 0.978 . . . . 0.0 109.889 -171.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.88 107.23 18.08 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.53 132.48 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.318 0.647 . . . . 0.0 109.287 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.65 135.73 51.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.895 0.878 . . . . 0.0 109.836 169.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -97.98 145.32 26.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.127 0.571 . . . . 0.0 110.919 170.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.43 HH21 ' CA ' ' C' ' 11' ' ' SER . 0.0 OUTLIER -146.16 156.8 43.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.206 1.002 . . . . 0.0 110.756 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.0 tptm -97.32 158.58 15.39 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 124.691 1.196 . . . . 0.0 109.625 170.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.38 139.06 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.945 0.793 . . . . 0.0 111.691 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.85 -3.86 85.86 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.614 1.102 . . . . 0.0 114.726 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -85.61 -177.17 6.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.493 1.646 . . . . 0.0 113.027 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.43 ' CA ' HH21 ' C' ' 6' ' ' ARG . 54.9 m -141.25 147.68 38.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.511 1.124 . . . . 0.0 113.11 -165.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -139.22 151.31 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.06 2.144 . . . . 0.0 107.755 -174.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -134.3 144.7 48.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.835 0.854 . . . . 0.0 111.258 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.06 132.25 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.414 1.086 . . . . 0.0 109.055 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.91 -134.48 49.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.27 7.59 5.44 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.743 0.817 . . . . 0.0 111.856 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -115.13 -13.82 11.79 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 124.155 0.982 . . . . 0.0 113.014 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.95 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.726 0.694 . . . . 0.0 110.747 -173.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -130.55 140.75 50.47 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.48 1.112 . . . . 0.0 109.501 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -124.7 136.79 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.06 1.344 . . . . 0.0 108.227 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -128.29 138.08 52.25 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.708 -0.62 . . . . 0.0 110.337 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -91.16 114.14 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 168.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -87.95 -35.02 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.92 -173.39 39.13 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.708 -0.282 . . . . 0.0 113.062 167.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.43 162.49 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 121.565 0.697 . . . . 0.0 111.937 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.5 m -142.61 70.1 1.32 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.303 1.841 . . . . 0.0 108.034 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.59 -109.77 3.07 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 -168.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.3 -6.72 37.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -94.5 160.09 14.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.893 0.854 . . . . 0.0 112.313 172.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.433 HG11 HG11 ' D' ' 30' ' ' VAL . 86.7 t -136.08 108.9 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.594 1.558 . . . . 0.0 107.049 -168.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -75.25 110.16 9.36 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -107.09 130.81 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.29 1.436 . . . . 0.0 109.881 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.99 141.48 15.72 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 110.721 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.96 125.03 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -129.67 96.17 4.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -169.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.59 154.57 66.55 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 124.327 1.051 . . . . 0.0 110.032 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 152.89 77.49 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.656 2.237 . . . . 0.0 111.194 172.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.88 -1.01 3.45 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.313 0.645 . . . . 0.0 112.466 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.84 -22.83 66.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.346 1.058 . . . . 0.0 111.228 168.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -124.78 151.41 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.342 1.057 . . . . 0.0 110.698 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 155.67 19.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.735 0.414 . . . . 0.0 111.51 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 m -139.0 132.16 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 123.152 0.581 . . . . 0.0 109.707 170.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -157.3 166.4 33.23 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' D' ' 12' ' ' ILE . 84.9 mtm-85 -69.51 153.57 43.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 165.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.96 -32.5 72.03 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.241 -0.287 . . . . 0.0 111.69 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.02 -45.56 83.01 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.147 0.979 . . . . 0.0 111.886 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.39 -32.94 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.365 0.666 . . . . 0.0 110.839 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -50.86 -40.03 55.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.269 1.028 . . . . 0.0 112.098 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -60.24 -28.54 68.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.389 0.676 . . . . 0.0 112.298 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -71.98 -41.29 67.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.306 0.642 . . . . 0.0 111.754 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.192 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 69.2 mmm . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -134.97 110.62 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.278 1.831 . . . . 0.0 106.524 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.82 138.21 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.571 1.148 . . . . 0.0 109.516 -169.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.04 156.9 30.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.215 0.606 . . . . 0.0 111.654 175.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 70.6 p -91.77 148.3 22.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.158 0.504 . . . . 0.0 111.66 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -132.69 135.75 45.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.117 0.967 . . . . 0.0 108.634 167.609 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 63.0 mttt -84.19 158.56 21.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.476 168.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 m -54.58 124.19 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 111.415 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.56 -3.23 53.52 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.167 0.889 . . . . 0.0 114.024 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -95.24 170.71 9.2 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.503 1.152 . . . . 0.0 112.04 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -134.32 161.56 34.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' C' ' 44' ' ' ARG . 45.2 mm -136.68 151.49 27.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 128.088 2.555 . . . . 0.0 108.301 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -119.54 149.48 41.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.889 0.876 . . . . 0.0 111.83 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.7 mt -134.02 134.16 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.93 1.292 . . . . 0.0 109.338 173.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.72 -129.94 42.39 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -130.05 4.23 4.86 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.99 0.916 . . . . 0.0 111.715 172.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -132.26 -8.97 3.36 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.77 133.05 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.76 0.709 . . . . 0.0 110.34 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -129.37 144.56 51.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.842 0.857 . . . . 0.0 109.91 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -126.14 144.56 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.954 1.302 . . . . 0.0 108.336 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -137.03 129.57 30.11 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.483 0.713 . . . . 0.0 109.468 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' D' ' 30' ' ' VAL . 0.1 OUTLIER -86.83 109.95 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 mt -80.92 -36.12 31.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.349 0.66 . . . . 0.0 111.007 -168.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 -178.16 45.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 170.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.01 157.71 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.323 0.649 . . . . 0.0 109.869 168.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -141.61 76.95 1.57 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.86 -116.4 4.27 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -172.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -92.77 -4.2 53.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.207 0.603 . . . . 0.0 110.333 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -75.71 152.6 37.45 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 112.015 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' D' ' 22' ' ' ILE . 22.3 t -130.18 121.03 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 C-N-CA 125.585 1.554 . . . . 0.0 106.897 169.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -96.54 118.96 34.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.453 1.101 . . . . 0.0 108.151 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.37 130.13 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.455 0.302 . . . . 0.0 110.574 -168.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.95 141.59 15.78 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 124.399 0.999 . . . . 0.0 111.287 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.5 141.05 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -138.11 98.59 3.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.462 0.705 . . . . 0.0 109.221 -174.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.86 155.42 80.3 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.483 1.113 . . . . 0.0 109.397 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -62.19 150.59 86.25 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.186 1.924 . . . . 0.0 110.598 169.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -69.26 -1.22 7.5 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 121.796 -0.565 . . . . 0.0 112.437 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.53 -22.39 66.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.709 1.204 . . . . 0.0 111.385 168.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.87 159.95 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.351 1.06 . . . . 0.0 110.711 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.65 157.04 16.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.08 127.23 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 O-C-N 121.915 -0.491 . . . . 0.0 110.019 168.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -149.85 167.5 26.4 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.662 0.785 . . . . 0.0 111.206 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.52 154.81 30.14 Favored 'General case' 0 C--O 1.227 -0.128 0 C-N-CA 123.156 0.582 . . . . 0.0 110.232 168.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.59 -34.66 73.01 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.082 0.953 . . . . 0.0 112.921 -169.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.8 -27.77 67.84 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.06 -38.25 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 170.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.99 -35.31 66.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.09 0.556 . . . . 0.0 112.464 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.49 -20.99 65.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.461 0.704 . . . . 0.0 112.768 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 62.4 mtt85 -85.91 -30.25 22.99 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.113 1.365 . . . . 0.0 111.248 177.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.464 ' N ' ' CD1' ' D' ' 51' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.136 0 C-N-CA 124.603 1.161 . . . . 0.0 108.808 171.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 tt -119.81 116.03 25.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.897 0.879 . . . . 0.0 109.845 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -107.76 138.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.177 0.991 . . . . 0.0 109.989 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.59 165.04 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.831 1.652 . . . . 0.0 110.611 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -133.72 99.79 4.58 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 168.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.445 ' CD ' HD11 ' E' ' 12' ' ' ILE . 5.4 mmp_? -108.48 144.96 35.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.867 1.267 . . . . 0.0 111.528 -172.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -90.04 164.64 14.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.46 140.23 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-O 120.883 0.373 . . . . 0.0 111.515 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.47 -3.54 86.39 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.794 0.711 . . . . 0.0 114.202 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.07 168.1 18.12 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 118.563 1.182 . . . . 0.0 111.464 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -136.33 151.52 49.68 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.394 0.678 . . . . 0.0 112.065 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . 0.445 HD11 ' CD ' ' E' ' 6' ' ' ARG . 43.3 mm -134.51 153.85 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 126.622 1.969 . . . . 0.0 108.264 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -133.25 151.61 51.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.197 -0.939 . . . . 0.0 112.907 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -137.53 140.42 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.761 1.224 . . . . 0.0 108.962 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -137.7 49.88 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.51 10.08 8.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.208 1.003 . . . . 0.0 111.544 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.16 -5.98 1.09 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -170.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.14 134.44 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 119.043 0.838 . . . . 0.0 110.699 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -127.47 145.35 50.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.469 1.108 . . . . 0.0 110.34 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -125.39 139.58 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.779 1.632 . . . . 0.0 108.125 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -135.99 130.51 33.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -82.01 107.48 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.15 -31.74 64.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.571 0.348 . . . . 0.0 110.274 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.94 -173.71 33.25 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.359 0.504 . . . . 0.0 113.362 169.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.6 159.5 15.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 C-N-CA 123.528 0.731 . . . . 0.0 112.11 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.0 t -149.97 89.91 1.64 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.685 1.194 . . . . 0.0 109.383 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.25 -111.86 3.89 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 121.492 -0.755 . . . . 0.0 111.872 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -91.55 -21.77 20.69 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 117.693 0.746 . . . . 0.0 111.556 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -74.15 144.25 44.94 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.721 0.809 . . . . 0.0 109.688 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.68 113.15 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -85.96 122.87 30.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -130.3 131.3 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.71 0.804 . . . . 0.0 110.47 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.25 143.84 16.98 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.233 0.921 . . . . 0.0 111.761 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -134.42 131.98 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.328 1.451 . . . . 0.0 108.655 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -133.17 100.71 4.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -172.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.18 155.4 75.96 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.8 1.24 . . . . 0.0 110.588 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.05 158.4 43.86 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.009 2.473 . . . . 0.0 111.996 171.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -73.02 -0.99 15.44 Favored 'General case' 0 N--CA 1.458 -0.053 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.05 -21.36 66.38 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.397 1.079 . . . . 0.0 111.424 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -124.87 159.35 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.297 1.039 . . . . 0.0 110.736 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.55 16.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.125 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.01 127.95 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.406 0.682 . . . . 0.0 110.123 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -150.15 170.88 17.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.831 0.852 . . . . 0.0 110.815 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -71.3 160.58 32.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.3 -32.05 70.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.232 -0.292 . . . . 0.0 111.515 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.95 -44.41 78.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.586 1.155 . . . . 0.0 111.939 173.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -87.83 -33.7 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.039 0.936 . . . . 0.0 110.279 -170.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.84 -34.7 28.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.949 1.3 . . . . 0.0 112.839 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.06 -21.97 59.99 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.329 1.051 . . . . 0.0 112.669 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -73.33 -47.36 43.08 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.355 0.662 . . . . 0.0 109.527 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . 0.498 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.8 mp -65.59 -22.97 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.326 1.45 . . . . 0.0 110.373 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 169.147 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.43 149.64 21.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.798 0.439 . . . . 0.0 111.435 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.57 136.08 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.23 163.07 27.53 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.726 1.21 . . . . 0.0 109.624 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.37 97.72 5.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.195 0.522 . . . . 0.0 109.844 169.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -104.88 135.12 46.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.057 1.343 . . . . 0.0 109.222 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -99.68 167.41 10.58 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 119.292 0.951 . . . . 0.0 113.156 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.81 136.93 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.395 -169.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.97 -8.44 76.2 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 113.739 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -95.84 175.81 6.36 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.734 1.267 . . . . 0.0 112.287 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -136.7 160.03 40.05 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -169.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -138.69 158.86 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 127.159 2.184 . . . . 0.0 107.664 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.32 150.95 48.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.417 -0.802 . . . . 0.0 112.573 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.91 142.13 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.634 1.173 . . . . 0.0 109.129 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.08 -132.95 49.03 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -127.85 10.07 6.47 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.284 1.034 . . . . 0.0 111.901 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -139.6 -14.18 1.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -103.47 136.1 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 118.835 0.743 . . . . 0.0 110.398 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.29 141.89 51.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.127 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -121.97 139.99 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.365 1.466 . . . . 0.0 108.119 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -135.24 129.54 33.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.208 0.603 . . . . 0.0 109.617 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -85.91 110.87 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 172.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.4 mt -85.35 -26.78 26.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.447 0.699 . . . . 0.0 111.218 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.71 -171.75 34.31 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.352 0.501 . . . . 0.0 113.29 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.61 157.32 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.397 0.679 . . . . 0.0 111.983 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -147.83 89.87 1.79 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.669 1.188 . . . . 0.0 108.605 169.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.77 -119.01 12.44 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -172.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -84.83 -20.12 31.4 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.199 0.499 . . . . 0.0 112.307 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -72.68 143.43 48.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -135.89 115.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -176.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -86.51 125.33 33.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.23 139.82 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.012 0.925 . . . . 0.0 110.096 -168.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.86 140.03 15.84 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 124.211 0.91 . . . . 0.0 111.175 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.97 140.55 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.358 1.063 . . . . 0.0 109.902 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -133.58 110.09 9.67 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.363 1.065 . . . . 0.0 109.336 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.95 157.94 77.09 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.632 0.773 . . . . 0.0 111.565 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.74 161.62 38.19 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.051 2.501 . . . . 0.0 112.169 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.15 -17.22 63.28 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.032 0.933 . . . . 0.0 112.617 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.18 -16.18 64.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.068 1.347 . . . . 0.0 112.668 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.11 165.05 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.05 160.98 14.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.369 0.667 . . . . 0.0 111.487 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 121.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.305 0.642 . . . . 0.0 110.448 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -151.93 177.71 10.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.446 1.098 . . . . 0.0 110.18 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -82.66 164.21 20.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.789 -0.569 . . . . 0.0 110.588 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.89 -23.11 64.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.534 0.734 . . . . 0.0 112.396 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.02 -47.75 73.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.074 0.95 . . . . 0.0 111.32 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -77.44 -30.85 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.475 0.71 . . . . 0.0 109.99 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -55.07 -36.41 65.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.322 0.649 . . . . 0.0 112.61 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.46 -26.15 65.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.274 0.63 . . . . 0.0 112.428 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -72.07 -23.0 61.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.513 0.725 . . . . 0.0 110.779 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt . . . . . 0 N--CA 1.451 -0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 109.809 -170.53 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.83 119.6 38.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.837 0.855 . . . . 0.0 109.609 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.66 137.81 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.069 0.948 . . . . 0.0 110.724 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.9 mt -136.22 153.96 51.07 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.634 1.174 . . . . 0.0 110.25 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -127.98 100.98 6.11 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.867 0.867 . . . . 0.0 109.878 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -129.91 146.04 51.62 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.52 -0.737 . . . . 0.0 111.22 -170.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.74 166.27 15.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.567 0.747 . . . . 0.0 111.34 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.432 HG13 ' HA2' ' A' ' 24' ' ' GLY . 69.3 t -44.58 129.33 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.832 0.853 . . . . 0.0 110.88 169.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 -10.86 72.45 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.167 0.889 . . . . 0.0 113.922 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -84.62 171.27 12.57 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.79 1.295 . . . . 0.0 111.75 174.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 m -139.94 158.62 43.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -168.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.8 mm -130.53 156.27 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 126.745 2.018 . . . . 0.0 108.092 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -133.44 142.21 48.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.273 1.029 . . . . 0.0 110.946 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mt -134.09 121.58 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.738 1.215 . . . . 0.0 108.187 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' ASP . . . -77.69 10.11 26.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.9 5.23 4.34 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.636 0.718 . . . . 0.0 110.219 165.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 15' ' ' GLY . 46.9 m-20 88.74 45.21 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 130.005 3.322 . . . . 0.0 112.389 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.72 143.44 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 121.183 0.516 . . . . 0.0 111.993 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.9 m -125.29 142.13 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.275 1.03 . . . . 0.0 109.33 169.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -121.81 143.96 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.531 1.132 . . . . 0.0 108.868 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -135.38 133.96 39.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.695 0.798 . . . . 0.0 109.647 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -87.09 101.89 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 171.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.32 -25.83 58.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.032 -0.418 . . . . 0.0 110.47 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.58 -176.62 42.85 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 118.292 0.496 . . . . 0.0 114.174 168.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.81 151.96 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.7 m -140.92 65.49 1.4 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.913 1.285 . . . . 0.0 110.002 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.52 -127.96 11.02 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.19 -12.67 59.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 18.2 pt20 -98.72 130.07 45.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.772 1.272 . . . . 0.0 110.571 175.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.9 t -112.71 124.4 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 126.477 1.911 . . . . 0.0 108.859 -167.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -91.61 101.88 14.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -109.16 133.87 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.542 1.137 . . . . 0.0 109.451 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.84 138.69 14.72 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.088 0.851 . . . . 0.0 111.557 171.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.0 mt -111.33 135.69 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 108.624 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -123.93 74.95 1.32 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.229 1.012 . . . . 0.0 109.439 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.82 153.46 43.71 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 125.35 1.46 . . . . 0.0 111.116 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.81 155.12 43.84 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.057 2.505 . . . . 0.0 110.515 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -68.79 -3.26 11.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.96 -24.64 63.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.009 0.924 . . . . 0.0 111.991 169.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.24 143.96 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.853 0.835 . . . . 0.0 111.58 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.84 142.99 28.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 110.843 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.62 126.49 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 122.826 0.45 . . . . 0.0 110.455 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -152.06 155.1 37.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.881 0.872 . . . . 0.0 110.038 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -81.81 167.74 18.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.012 -0.43 . . . . 0.0 111.71 170.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.21 -34.99 78.83 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.566 0.746 . . . . 0.0 112.268 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.66 -22.19 44.42 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.103 1.361 . . . . 0.0 112.875 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.458 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 5.9 mt -124.98 -6.74 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.769 1.228 . . . . 0.0 110.779 -169.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -79.99 -39.09 30.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.539 -1.35 . . . . 0.0 110.744 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -71.38 -25.61 62.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.002 0.521 . . . . 0.0 111.721 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 19.2 ptp180 -74.83 -32.06 61.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.763 0.825 . . . . 0.0 111.836 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.422 HG22 ' NE2' ' A' ' 52' ' ' GLN . 71.6 mt -67.02 -48.68 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.422 ' NE2' HG22 ' A' ' 51' ' ' ILE . 87.1 mm-40 . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 123.719 0.808 . . . . 0.0 112.507 -176.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.556 -0.259 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.3 120.56 38.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.206 1.402 . . . . 0.0 107.731 169.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 50.8 mt -118.95 140.32 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.191 0.597 . . . . 0.0 112.522 -164.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -144.39 142.89 30.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.69 1.196 . . . . 0.0 111.867 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -89.75 124.38 34.58 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 165.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.442 ' HA ' ' NE ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -123.81 115.92 22.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.172 0.589 . . . . 0.0 109.793 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 71.4 tttt -84.43 148.85 26.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.407 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 20.5 m -54.78 128.88 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-O 121.329 0.585 . . . . 0.0 111.212 -170.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.06 -9.0 63.34 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.099 -0.834 . . . . 0.0 114.753 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -83.94 164.85 19.13 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 119.009 1.404 . . . . 0.0 111.455 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 39.4 m -132.45 158.61 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.61 0.764 . . . . 0.0 112.114 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 34.5 mt -138.6 157.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.589 1.555 . . . . 0.0 109.569 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -137.12 141.53 42.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.825 0.85 . . . . 0.0 111.053 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.9 mt -134.35 129.15 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 124.325 1.05 . . . . 0.0 109.386 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.98 -132.63 52.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -175.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -129.52 5.03 5.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.701 0.8 . . . . 0.0 112.878 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -114.57 -16.31 11.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.66 136.32 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 119.262 0.937 . . . . 0.0 111.665 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -129.75 148.88 51.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.027 1.331 . . . . 0.0 109.727 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -130.77 147.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.928 1.691 . . . . 0.0 108.365 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.29 134.12 32.16 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 122.969 0.508 . . . . 0.0 110.27 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.89 93.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 172.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.43 -34.85 78.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.977 -0.452 . . . . 0.0 110.962 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.407 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 163.46 -174.77 39.73 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -113.44 152.96 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.094 0.473 . . . . 0.0 110.314 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -127.67 73.05 1.42 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.57 1.148 . . . . 0.0 108.677 173.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.26 -120.19 5.07 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.98 12.21 34.97 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.682 0.793 . . . . 0.0 111.19 172.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -98.84 152.65 19.49 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.047 0.939 . . . . 0.0 109.703 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -133.5 115.38 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 117.54 25.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.269 1.427 . . . . 0.0 109.23 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -127.23 131.94 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.076 0.95 . . . . 0.0 109.672 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.92 137.15 13.09 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.34 130.12 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.908 0.883 . . . . 0.0 109.189 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -132.65 76.34 1.68 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.575 -167.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.06 157.14 56.05 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.258 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -58.84 154.88 41.08 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.686 1.591 . . . . 0.0 109.674 168.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -0.76 8.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.975 0.91 . . . . 0.0 111.197 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.82 -23.76 66.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.546 1.938 . . . . 0.0 111.352 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -112.89 144.15 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.99 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.64 140.0 30.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.233 0.54 . . . . 0.0 111.805 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 t -143.44 102.85 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.68 -166.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -146.46 175.89 10.21 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.471 1.108 . . . . 0.0 110.981 179.639 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -82.11 163.48 21.98 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.865 0.466 . . . . 0.0 111.207 168.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -53.55 -41.27 66.29 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 123.469 0.708 . . . . 0.0 112.049 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.57 -43.92 36.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.063 0.545 . . . . 0.0 111.399 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -83.57 -47.91 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 125.278 1.431 . . . . 0.0 110.167 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -48.96 -37.65 20.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.65 1.18 . . . . 0.0 111.754 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.85 -25.91 65.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.734 0.814 . . . . 0.0 113.13 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -81.77 -39.54 23.96 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.154 0.888 . . . . 0.0 110.587 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.532 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.3 mt -63.68 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.532 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.3 mm-40 -79.95 5.01 15.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 173.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.52 -14.82 56.46 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.201 0.6 . . . . 0.0 112.04 169.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.48 45.45 0.13 Allowed Glycine 0 C--N 1.339 0.706 0 CA-C-O 119.554 -0.581 . . . . 0.0 114.177 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -175.42 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.804 0.802 . . . . 0.0 112.737 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 42.0 p -128.77 179.32 5.77 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.278 1.431 . . . . 0.0 109.325 167.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.27 120.51 1.28 Allowed Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 124.345 1.058 . . . . 0.0 111.499 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -62.35 169.34 8.16 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.644 2.23 . . . . 0.0 114.309 -169.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.633 1.173 . . . . 0.0 112.584 176.698 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.73 110.99 22.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.093 0.957 . . . . 0.0 108.904 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.55 133.55 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 109.534 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.12 137.66 53.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.116 0.966 . . . . 0.0 110.097 169.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -98.1 144.74 27.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.067 0.547 . . . . 0.0 110.257 169.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' C' ' 11' ' ' SER . 0.0 OUTLIER -146.08 152.34 39.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.63 0.772 . . . . 0.0 111.031 176.729 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -91.94 161.13 14.94 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.961 0.904 . . . . 0.0 109.383 170.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.88 139.96 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 118.897 0.771 . . . . 0.0 111.93 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.17 89.13 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.857 1.218 . . . . 0.0 114.769 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -84.01 -175.34 5.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.789 1.795 . . . . 0.0 112.945 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . 0.458 ' HA ' HH21 ' C' ' 6' ' ' ARG . 69.3 m -144.25 146.05 32.42 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -164.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -138.83 153.17 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 127.094 2.158 . . . . 0.0 108.969 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -130.45 148.69 52.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.818 1.247 . . . . 0.0 111.797 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -136.33 140.42 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.721 1.208 . . . . 0.0 109.255 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -135.8 51.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.61 10.04 7.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.765 0.826 . . . . 0.0 111.35 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.66 -10.24 5.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.307 1.043 . . . . 0.0 112.769 -172.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.08 135.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.437 0.695 . . . . 0.0 110.532 -174.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -133.84 144.56 49.02 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.821 1.248 . . . . 0.0 108.702 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 mt -135.25 136.69 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -121.67 134.05 54.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.349 1.06 . . . . 0.0 110.157 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -84.82 120.34 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -93.9 -34.67 13.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -173.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.81 41.2 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 120.394 -0.114 . . . . 0.0 113.17 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.35 152.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.176 0.59 . . . . 0.0 110.709 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -145.2 103.72 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.668 1.187 . . . . 0.0 107.839 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.86 -131.92 26.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -169.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.04 -3.76 58.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.701 0.801 . . . . 0.0 113.011 170.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.16 147.33 29.08 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.243 0.617 . . . . 0.0 110.111 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -131.43 112.4 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -76.76 110.35 11.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -116.53 133.3 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.784 1.234 . . . . 0.0 109.484 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.26 129.16 9.54 Favored Glycine 0 C--N 1.337 0.599 0 C-N-CA 123.909 0.766 . . . . 0.0 111.813 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -109.22 127.54 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.563 1.145 . . . . 0.0 108.505 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.78 96.06 5.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.633 0.773 . . . . 0.0 109.909 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.05 154.43 81.31 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.319 1.048 . . . . 0.0 110.345 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.11 152.54 80.66 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.846 2.364 . . . . 0.0 111.077 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.63 -0.94 3.18 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.261 0.624 . . . . 0.0 112.649 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.86 -22.16 66.51 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.285 1.034 . . . . 0.0 111.115 168.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.08 150.44 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.402 1.081 . . . . 0.0 110.716 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 155.54 20.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.879 0.472 . . . . 0.0 111.434 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.51 127.98 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.185 0.594 . . . . 0.0 109.758 169.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -154.17 151.81 29.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.959 0.504 . . . . 0.0 111.528 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -71.37 160.76 32.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.174 -0.329 . . . . 0.0 110.367 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.0 -33.04 71.45 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.18 -20.57 60.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.57 -33.25 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.778 0.831 . . . . 0.0 110.797 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.2 -38.19 73.32 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.457 -0.777 . . . . 0.0 111.759 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.97 -29.89 71.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.902 -0.499 . . . . 0.0 112.041 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -69.74 -34.09 73.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.123 0.969 . . . . 0.0 111.625 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mm . . . . . 0 N--CA 1.457 -0.103 0 C-N-CA 123.506 0.722 . . . . 0.0 110.629 173.381 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.511 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.8 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.72 107.63 13.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.002 1.321 . . . . 0.0 109.138 172.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.2 mp -100.12 139.64 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.119 1.367 . . . . 0.0 110.001 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.18 163.7 32.05 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.269 1.428 . . . . 0.0 110.985 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -103.93 119.28 38.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 163.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.3 OUTLIER -107.24 130.15 54.78 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.134 0.573 . . . . 0.0 110.755 170.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.87 158.33 26.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.316 0.507 . . . . 0.0 110.414 169.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -56.57 138.46 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 111.58 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.96 -2.23 85.49 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.24 0.924 . . . . 0.0 114.151 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -98.6 177.73 5.23 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.833 1.316 . . . . 0.0 112.13 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 36.1 m -138.86 160.3 40.04 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -138.96 154.87 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 126.607 1.963 . . . . 0.0 108.881 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -123.99 150.09 45.24 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.99 0.916 . . . . 0.0 111.299 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -134.74 136.83 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.146 1.379 . . . . 0.0 109.134 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.42 -132.36 51.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -130.03 10.03 5.38 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.262 0.625 . . . . 0.0 112.056 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.03 -7.17 4.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.801 0.84 . . . . 0.0 113.078 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.06 134.73 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.401 0.68 . . . . 0.0 110.316 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -127.51 146.66 50.43 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.207 1.003 . . . . 0.0 110.01 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -125.86 141.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.406 1.482 . . . . 0.0 108.277 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -135.89 123.11 21.72 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.384 0.674 . . . . 0.0 109.521 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.89 101.01 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 mt -73.6 -31.74 63.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.257 0.623 . . . . 0.0 110.641 -170.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.2 40.34 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 122.678 0.18 . . . . 0.0 112.71 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -108.1 159.47 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.109 0.564 . . . . 0.0 110.141 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -139.6 76.45 1.56 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.494 0.717 . . . . 0.0 109.419 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.19 -114.28 3.82 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.5 mp0 -93.49 -3.52 52.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.414 0.686 . . . . 0.0 110.403 173.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -74.63 154.85 38.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.341 0.591 . . . . 0.0 112.197 169.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.61 116.85 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.969 1.708 . . . . 0.0 106.714 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -97.49 115.05 27.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.754 1.222 . . . . 0.0 108.445 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.85 125.0 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.834 0.454 . . . . 0.0 111.104 -167.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.81 140.83 17.43 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . 0.403 HG21 HG21 ' D' ' 42' ' ' VAL . 64.7 mt -131.14 139.17 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.0 99.12 3.81 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -170.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.6 155.5 80.49 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 124.555 1.142 . . . . 0.0 109.537 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.17 151.4 82.25 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.153 1.902 . . . . 0.0 110.732 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.62 -0.99 7.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 174.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -67.58 -21.66 65.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.796 1.238 . . . . 0.0 111.283 168.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.439 1.096 . . . . 0.0 110.682 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.22 157.05 17.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.197 0.599 . . . . 0.0 112.173 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . 0.403 HG21 HG21 ' D' ' 34' ' ' ILE . 0.8 OUTLIER -149.08 127.6 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 121.7 -0.625 . . . . 0.0 111.216 170.128 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -153.17 172.82 16.35 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.117 0.967 . . . . 0.0 111.522 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 50.7 mtp85 -69.76 164.09 24.31 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 166.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.06 -39.11 84.85 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 118.264 0.484 . . . . 0.0 111.333 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -50.03 -43.68 50.94 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.799 0.84 . . . . 0.0 112.613 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.55 -35.1 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.316 1.046 . . . . 0.0 110.521 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.12 -43.41 82.33 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.838 0.855 . . . . 0.0 110.456 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.19 -23.46 66.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.496 0.718 . . . . 0.0 112.724 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 15.0 mtt85 -77.15 -41.45 41.7 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 123.352 0.661 . . . . 0.0 110.897 170.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 63.0 mt . . . . . 0 N--CA 1.451 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.604 179.264 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -103.9 120.11 40.33 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 96.4 mt -129.04 136.71 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.675 0.79 . . . . 0.0 109.563 -170.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -137.55 163.86 30.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 111.036 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 98.99 5.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 167.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -105.03 133.45 49.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.701 1.6 . . . . 0.0 109.262 -174.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -99.86 167.62 10.4 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 120.347 1.431 . . . . 0.0 112.889 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.4 138.73 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.698 -169.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.93 -4.7 85.57 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 123.936 0.779 . . . . 0.0 114.114 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -93.07 178.76 5.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.641 1.221 . . . . 0.0 111.469 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -138.18 159.84 40.98 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -138.81 157.12 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 126.891 2.076 . . . . 0.0 108.379 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.14 149.1 47.08 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.458 -0.776 . . . . 0.0 112.984 -174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.2 141.71 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.534 1.134 . . . . 0.0 109.358 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.02 48.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -126.73 8.13 6.88 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.996 0.918 . . . . 0.0 111.754 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.29 -3.13 1.96 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -171.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.99 134.32 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.856 0.753 . . . . 0.0 110.679 -175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -128.86 142.57 50.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 109.964 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -123.86 140.24 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.126 1.37 . . . . 0.0 108.178 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -135.71 129.59 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.051 0.541 . . . . 0.0 109.934 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.34 104.24 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -74.25 -28.03 61.03 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.81 0.444 . . . . 0.0 111.187 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -172.76 34.54 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 123.424 0.535 . . . . 0.0 113.704 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -120.13 156.93 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -144.82 89.92 2.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.928 1.291 . . . . 0.0 109.029 169.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.75 -112.32 4.86 Favored Glycine 0 CA--C 1.526 0.773 0 O-C-N 121.469 -0.77 . . . . 0.0 111.539 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -90.43 -21.74 21.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 117.881 0.84 . . . . 0.0 111.579 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -69.24 145.65 52.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.71 114.74 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.29 123.17 32.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.16 134.82 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.755 0.822 . . . . 0.0 110.475 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.06 141.02 15.16 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.579 1.085 . . . . 0.0 111.449 171.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -130.87 128.58 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.045 1.338 . . . . 0.0 108.932 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -130.14 98.99 4.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -172.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 154.87 75.96 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.757 1.223 . . . . 0.0 110.596 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.71 157.75 40.92 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.097 173.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -71.62 -0.97 12.01 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.37 -21.78 66.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.481 1.112 . . . . 0.0 111.714 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.8 157.64 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.245 1.018 . . . . 0.0 110.393 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.18 14.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 129.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.766 0.427 . . . . 0.0 110.749 170.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -150.73 169.12 22.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.41 1.084 . . . . 0.0 110.279 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.86 151.83 44.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 168.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.1 -27.93 64.14 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.639 0.654 . . . . 0.0 111.254 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.56 -46.0 90.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.394 1.078 . . . . 0.0 111.117 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.45 -39.54 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.732 0.813 . . . . 0.0 109.952 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -56.44 -36.3 68.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.312 0.645 . . . . 0.0 111.839 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.01 -21.9 62.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -72.04 -24.43 61.54 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.801 0.728 . . . . 0.0 111.23 171.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.63 -28.72 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.164 1.386 . . . . 0.0 110.138 -174.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 . . . . . 0 N--CA 1.456 -0.156 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 174.437 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -98.63 149.0 23.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.061 0.544 . . . . 0.0 111.457 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.68 135.45 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.915 0.886 . . . . 0.0 108.858 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.49 161.22 35.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 109.951 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.6 101.99 7.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 168.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.26 132.93 53.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.767 1.627 . . . . 0.0 111.075 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -97.43 166.87 11.33 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 119.692 1.133 . . . . 0.0 113.432 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.32 136.57 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.78 -169.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.09 -7.04 78.94 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.257 0.932 . . . . 0.0 113.784 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -93.68 174.22 7.29 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.707 1.254 . . . . 0.0 112.404 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -138.73 161.15 37.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -169.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -142.25 152.94 18.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.613 1.965 . . . . 0.0 108.103 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.56 147.92 44.54 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.728 0.811 . . . . 0.0 111.674 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.55 140.51 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.731 1.212 . . . . 0.0 109.503 174.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.83 -132.27 43.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -130.08 9.99 5.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.503 0.721 . . . . 0.0 111.705 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -137.41 -17.84 1.3 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.674 0.789 . . . . 0.0 113.101 -172.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.66 132.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 118.733 0.697 . . . . 0.0 109.925 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -123.84 143.6 50.24 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.662 0.785 . . . . 0.0 110.167 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -122.87 143.05 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.448 1.499 . . . . 0.0 108.344 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.9 m -138.88 131.79 29.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.368 0.667 . . . . 0.0 109.917 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -89.29 110.96 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.19 -33.37 26.17 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.006 0.523 . . . . 0.0 110.754 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -172.19 40.32 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 114.019 0.368 . . . . 0.0 114.019 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.61 159.08 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.706 0.803 . . . . 0.0 112.013 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.06 89.94 1.64 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.022 1.329 . . . . 0.0 108.996 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -115.27 5.89 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.624 -0.591 . . . . 0.0 111.624 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -88.22 -23.64 23.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.398 0.599 . . . . 0.0 111.556 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -73.64 146.9 44.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.684 0.754 . . . . 0.0 110.955 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.94 119.63 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -171.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -82.33 116.77 21.98 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.683 0.793 . . . . 0.0 109.048 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.76 138.51 54.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 123.493 0.717 . . . . 0.0 110.276 -172.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.36 143.97 16.33 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.186 0.898 . . . . 0.0 112.025 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.89 138.28 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.103 1.361 . . . . 0.0 109.784 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -126.8 107.0 9.73 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.874 1.27 . . . . 0.0 109.054 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.29 157.24 75.09 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.773 0.829 . . . . 0.0 111.589 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.6 161.7 34.34 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.923 2.415 . . . . 0.0 112.018 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -71.48 -5.08 30.37 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.449 0.7 . . . . 0.0 112.613 172.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.33 -19.55 63.06 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.742 1.217 . . . . 0.0 112.485 172.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -129.11 166.3 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.965 0.906 . . . . 0.0 111.127 -177.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.83 163.11 12.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.81 0.844 . . . . 0.0 111.193 173.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.06 127.01 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.33 0.652 . . . . 0.0 110.36 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -152.08 176.08 11.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.964 0.906 . . . . 0.0 110.335 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -79.07 163.37 25.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.07 -32.23 67.84 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.976 0.51 . . . . 0.0 112.266 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.51 -44.82 81.14 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.218 1.007 . . . . 0.0 111.732 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 mm -91.06 -29.28 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.769 0.828 . . . . 0.0 110.491 -169.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.86 -35.94 35.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.118 0.967 . . . . 0.0 112.752 175.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -59.57 -21.94 61.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.322 1.049 . . . . 0.0 112.647 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -77.8 -22.96 49.27 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.753 0.821 . . . . 0.0 110.644 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.51 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.1 mp . . . . . 0 N--CA 1.454 -0.251 0 C-N-CA 124.702 1.201 . . . . 0.0 109.628 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.21 113.97 25.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.697 0.799 . . . . 0.0 109.745 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.12 134.34 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.531 0.732 . . . . 0.0 109.412 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.5 mt -131.2 158.8 39.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.192 0.997 . . . . 0.0 109.909 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -128.09 100.89 6.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.706 0.802 . . . . 0.0 108.93 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -122.57 156.54 34.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.932 -0.48 . . . . 0.0 111.251 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -108.82 163.16 13.52 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.316 1.047 . . . . 0.0 110.395 -168.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.41 HG13 ' HA2' ' A' ' 24' ' ' GLY . 77.6 t -48.23 128.85 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.736 0.414 . . . . 0.0 111.124 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.15 74.02 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.142 0.877 . . . . 0.0 113.976 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -95.82 169.91 9.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.51 1.155 . . . . 0.0 112.262 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -138.04 154.09 49.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.6 mm -120.12 157.69 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.311 1.844 . . . . 0.0 109.713 175.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -130.41 136.67 49.28 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.078 0.951 . . . . 0.0 111.055 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -132.9 128.84 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.412 1.085 . . . . 0.0 109.582 -176.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.36 -125.94 21.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -129.28 -0.98 5.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.043 0.937 . . . . 0.0 111.827 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -146.29 -2.05 0.7 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -168.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.32 134.36 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.514 1.052 . . . . 0.0 110.718 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -133.88 132.66 40.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.918 0.887 . . . . 0.0 110.078 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 mm -112.99 145.56 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.26 1.024 . . . . 0.0 109.088 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -137.06 132.77 34.63 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.224 0.61 . . . . 0.0 110.429 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.88 99.2 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -29.17 64.4 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -175.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.95 175.41 38.9 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-N 117.87 0.305 . . . . 0.0 113.844 168.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.54 152.22 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.825 0.85 . . . . 0.0 111.505 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -139.08 61.02 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.847 1.259 . . . . 0.0 109.377 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.65 -122.22 6.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -174.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.56 -15.17 58.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.6 pt20 -98.75 146.05 26.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 122.662 1.22 . . . . 0.0 111.72 170.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -128.74 120.03 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 126.073 1.749 . . . . 0.0 108.334 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -90.51 101.86 14.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.5 mt -108.81 135.23 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.759 1.224 . . . . 0.0 109.223 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.54 139.26 15.25 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 123.743 0.687 . . . . 0.0 111.538 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.44 135.67 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.209 1.404 . . . . 0.0 108.809 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -116.93 78.14 1.18 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.368 1.067 . . . . 0.0 109.084 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.37 153.76 45.54 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.63 0.772 . . . . 0.0 110.583 172.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.21 155.5 46.82 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.685 2.257 . . . . 0.0 110.51 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -69.24 -2.79 11.46 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -69.77 -26.12 64.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.962 0.905 . . . . 0.0 111.968 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -114.98 144.05 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.899 0.857 . . . . 0.0 111.631 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.37 143.03 30.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.782 0.833 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 m -132.58 127.52 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.926 0.49 . . . . 0.0 110.169 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CD2' HD11 ' A' ' 51' ' ' ILE . 99.4 m-70 -152.73 161.52 42.46 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.524 0.73 . . . . 0.0 110.475 -172.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 163.7 16.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 122.122 -0.362 . . . . 0.0 111.402 168.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.82 -24.03 64.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.754 0.422 . . . . 0.0 112.119 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.38 -27.32 68.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.269 1.027 . . . . 0.0 112.676 169.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.35 -24.45 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.359 1.064 . . . . 0.0 110.889 -169.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -60.59 -32.06 71.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.597 -0.689 . . . . 0.0 110.674 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -75.44 -12.75 60.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.45 0.7 . . . . 0.0 111.992 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.98 -32.8 39.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.865 0.866 . . . . 0.0 110.765 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.543 HG22 HE21 ' A' ' 52' ' ' GLN . 23.3 mt -64.68 -53.2 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.769 0.827 . . . . 0.0 108.848 172.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.543 HE21 HG22 ' A' ' 51' ' ' ILE . 82.5 mm-40 . . . . . 0 N--CA 1.452 -0.362 0 C-N-CA 123.824 0.849 . . . . 0.0 112.416 -174.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.31 123.18 49.53 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 169.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -120.01 138.14 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 122.965 0.506 . . . . 0.0 112.361 -165.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.5 mt -142.67 137.95 30.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.494 1.118 . . . . 0.0 111.159 -173.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 36.5 p -86.71 123.38 31.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 166.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -116.55 126.49 53.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.815 0.446 . . . . 0.0 110.382 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 19.5 tttp -83.98 150.1 25.86 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 33.0 m -56.52 130.52 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.388 0.54 . . . . 0.0 111.148 -171.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.9 61.37 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.65 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -86.69 166.14 15.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.97 1.385 . . . . 0.0 112.058 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -130.72 155.39 46.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mm -132.76 149.79 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 126.934 2.093 . . . . 0.0 108.598 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -130.96 140.75 50.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.029 0.931 . . . . 0.0 110.484 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.55 126.29 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.309 1.044 . . . . 0.0 109.431 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.77 -133.04 52.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.97 4.99 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.673 0.789 . . . . 0.0 113.02 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -111.39 -19.86 12.45 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.73 136.09 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 119.2 0.909 . . . . 0.0 111.618 -169.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -130.85 148.16 52.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.989 1.316 . . . . 0.0 109.474 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -131.01 144.22 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.483 1.513 . . . . 0.0 108.011 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -137.35 129.84 29.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.912 0.485 . . . . 0.0 110.115 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.52 102.27 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.55 -33.46 71.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.803 -0.561 . . . . 0.0 110.438 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 162.51 178.02 36.02 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 170.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -105.42 148.84 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 O-C-N 122.396 -0.473 . . . . 0.0 109.888 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -123.52 77.88 1.54 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.91 -119.39 4.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.14 10.44 40.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.139 0.576 . . . . 0.0 110.953 172.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.92 155.75 17.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.04 0.936 . . . . 0.0 110.069 170.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.59 113.21 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 123.136 0.574 . . . . 0.0 109.566 -169.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.0 116.2 24.89 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.355 1.462 . . . . 0.0 109.576 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.17 129.95 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.246 1.018 . . . . 0.0 109.72 -170.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.3 136.71 13.15 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.67 129.59 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.75 0.82 . . . . 0.0 109.197 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -129.78 80.08 1.94 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.484 -168.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.82 72.5 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.693 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . 0.409 ' O ' HG22 ' B' ' 40' ' ' VAL . 41.2 Cg_endo -60.52 156.78 39.84 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.645 1.563 . . . . 0.0 110.232 168.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.68 -0.87 19.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.998 0.904 . . . . 0.0 111.884 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.83 -22.16 66.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.644 1.578 . . . . 0.0 111.506 170.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 37' ' ' PRO . 14.2 m -112.27 144.06 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.373 1.069 . . . . 0.0 109.524 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.47 28.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 111.389 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.65 99.46 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.833 -166.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -143.11 168.74 19.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.88 0.872 . . . . 0.0 110.213 177.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.51 157.59 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.178 -0.326 . . . . 0.0 111.426 169.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -53.57 -40.08 65.31 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.482 0.713 . . . . 0.0 112.058 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -49.73 30.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.737 0.815 . . . . 0.0 111.592 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.11 -45.51 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.835 1.254 . . . . 0.0 110.817 -175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.39 -36.38 43.18 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.2 1.0 . . . . 0.0 111.856 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -68.9 -23.89 64.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.4 mpt_? -81.62 -39.66 24.13 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.064 0.847 . . . . 0.0 110.313 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.537 HG22 ' NE2' ' B' ' 52' ' ' GLN . 98.0 mt -62.78 -40.72 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.537 ' NE2' HG22 ' B' ' 51' ' ' ILE . 27.9 mm-40 -80.27 4.27 18.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.88 -17.93 51.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.179 0.591 . . . . 0.0 111.344 168.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.31 47.66 0.1 OUTLIER Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.49 -0.616 . . . . 0.0 114.121 169.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.02 -176.95 2.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.857 0.828 . . . . 0.0 112.76 -168.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -127.26 -176.42 3.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 125.429 1.491 . . . . 0.0 109.448 168.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.95 119.0 3.13 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 123.666 0.787 . . . . 0.0 111.126 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.26 -50.12 12.02 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.921 2.414 . . . . 0.0 112.484 -169.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.591 0.71 . . . . 0.0 111.055 -175.472 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 101.327 -3.583 . . . . 0.0 101.327 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.21 110.49 22.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -169.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -85.19 130.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -123.82 137.53 54.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.834 0.854 . . . . 0.0 109.605 170.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.6 p -94.29 136.99 33.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.47 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.35 141.86 43.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.971 0.508 . . . . 0.0 110.792 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -80.26 156.37 26.87 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.635 1.174 . . . . 0.0 108.61 169.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -60.45 135.17 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.53 -3.67 81.79 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.677 1.132 . . . . 0.0 114.086 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -90.11 176.81 6.63 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.097 1.449 . . . . 0.0 112.257 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -139.13 157.78 45.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -167.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -136.82 158.01 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.799 2.44 . . . . 0.0 108.203 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -131.31 145.25 51.79 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.214 1.005 . . . . 0.0 111.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.84 139.39 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.691 1.196 . . . . 0.0 109.733 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -131.19 51.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -129.99 9.96 5.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.772 0.829 . . . . 0.0 110.985 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.01 -11.34 4.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.696 1.198 . . . . 0.0 112.966 -169.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.04 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.133 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.9 m -123.45 138.21 54.63 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.683 0.793 . . . . 0.0 109.691 175.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.46 140.71 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.993 1.317 . . . . 0.0 108.522 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.8 m -136.78 128.18 28.35 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.907 -0.496 . . . . 0.0 110.471 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.54 106.57 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.36 -33.68 28.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.02 -171.89 41.96 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 121.756 -0.259 . . . . 0.0 113.299 168.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.25 153.52 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.281 0.632 . . . . 0.0 110.737 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.4 p -143.73 110.46 5.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.082 0.953 . . . . 0.0 108.866 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.36 -124.7 35.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -169.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -95.47 -0.51 52.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.057 0.943 . . . . 0.0 112.242 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -83.89 153.12 24.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 t -131.2 121.78 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.495 1.118 . . . . 0.0 108.173 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -80.62 112.05 17.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.67 130.16 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.255 1.422 . . . . 0.0 108.9 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.52 139.46 14.41 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.524 1.059 . . . . 0.0 111.771 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.44 113.14 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 125.055 1.342 . . . . 0.0 107.826 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -123.25 94.42 4.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 110.258 -168.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.99 158.09 76.18 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.684 1.193 . . . . 0.0 109.901 -175.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.48 149.5 89.37 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.375 2.05 . . . . 0.0 110.91 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -65.35 -0.92 2.06 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.676 0.79 . . . . 0.0 112.604 173.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.9 -24.19 66.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.473 1.109 . . . . 0.0 111.491 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.57 148.33 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.15 0.98 . . . . 0.0 110.493 174.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.09 21.95 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.559 0.344 . . . . 0.0 111.357 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 m -136.76 129.99 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -153.12 150.28 28.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.995 0.518 . . . . 0.0 111.089 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -71.09 157.72 37.7 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 167.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.55 -34.58 72.85 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -168.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.92 -23.01 64.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.3 mm -94.06 -35.61 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.605 0.762 . . . . 0.0 110.735 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -52.84 -33.95 51.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.171 0.989 . . . . 0.0 112.586 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.53 -27.66 68.77 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.509 0.724 . . . . 0.0 112.622 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -69.14 -36.0 76.98 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.231 0.612 . . . . 0.0 111.644 172.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.412 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp . . . . . 0 N--CA 1.454 -0.23 0 O-C-N 122.027 -0.421 . . . . 0.0 110.043 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 8.4 ttp . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.97 124.92 50.55 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.798 1.639 . . . . 0.0 108.938 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.45 136.98 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.214 1.006 . . . . 0.0 109.799 -169.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -136.87 162.38 33.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.943 1.297 . . . . 0.0 111.582 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.91 113.45 23.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 165.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.406 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.7 OUTLIER -114.6 144.17 43.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 168.12 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -78.43 161.12 27.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 110.11 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -54.28 135.3 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.441 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.27 78.1 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.42 1.01 . . . . 0.0 114.186 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -99.88 171.83 7.62 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.043 1.421 . . . . 0.0 112.169 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -129.4 155.76 45.15 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -168.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' D' ' 6' ' ' ARG . 30.4 mt -140.75 158.07 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 126.5 1.92 . . . . 0.0 109.199 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -130.07 149.5 51.76 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.669 1.188 . . . . 0.0 111.71 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.4 mt -135.33 134.2 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 125.055 1.342 . . . . 0.0 109.228 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.48 -134.53 52.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.49 9.95 5.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.961 0.905 . . . . 0.0 112.441 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -124.04 -14.22 7.14 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.82 134.6 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.983 0.81 . . . . 0.0 110.923 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -125.06 144.79 50.23 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.201 1.001 . . . . 0.0 109.865 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.43 140.92 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.164 1.386 . . . . 0.0 108.282 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -134.99 125.59 26.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -81.53 107.92 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 mt -83.17 -30.9 27.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.09 -0.381 . . . . 0.0 110.56 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.91 -177.65 40.34 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.472 -0.394 . . . . 0.0 113.382 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -108.75 160.56 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.217 0.607 . . . . 0.0 111.567 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -142.6 79.85 1.67 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.426 1.49 . . . . 0.0 108.162 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -114.93 5.8 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.7 -15.62 34.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.055 0.942 . . . . 0.0 111.105 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.44 159.16 21.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.363 0.602 . . . . 0.0 112.227 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 17.6 t -141.0 122.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.307 1.043 . . . . 0.0 108.454 -172.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -82.33 120.1 24.98 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.295 0.638 . . . . 0.0 109.917 171.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -125.9 118.34 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.081 0.953 . . . . 0.0 109.468 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.22 143.2 23.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.357 1.456 . . . . 0.0 110.909 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.6 138.58 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.53 97.19 3.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -172.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.24 153.02 79.23 Favored Pre-proline 0 N--CA 1.451 -0.382 0 C-N-CA 124.599 1.159 . . . . 0.0 109.478 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -60.88 150.21 84.56 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.18 1.92 . . . . 0.0 110.593 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -69.05 -0.9 6.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 174.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.07 -22.58 65.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.749 1.22 . . . . 0.0 111.357 168.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -124.22 159.03 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.318 1.047 . . . . 0.0 110.585 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.34 157.04 17.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.299 0.64 . . . . 0.0 112.079 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.98 128.32 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 O-C-N 121.688 -0.633 . . . . 0.0 110.604 168.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -149.58 167.7 25.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.917 0.887 . . . . 0.0 111.353 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -64.94 157.7 27.39 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 167.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -63.25 -34.84 78.53 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.476 -0.765 . . . . 0.0 111.522 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -27.71 67.61 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.473 0.709 . . . . 0.0 112.728 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 11.4 mm -84.3 -37.5 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.017 0.927 . . . . 0.0 110.912 173.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -53.1 -37.44 61.71 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.064 0.946 . . . . 0.0 111.806 -172.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.08 -21.04 64.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.68 1.192 . . . . 0.0 113.579 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.35 -34.36 42.18 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.378 1.071 . . . . 0.0 110.696 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.598 HD12 ' N ' ' D' ' 51' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.455 -0.193 0 C-N-CA 125.933 1.693 . . . . 0.0 109.213 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.35 144.53 46.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.281 1.033 . . . . 0.0 110.05 -177.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.49 126.78 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 170.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.61 163.67 19.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.559 1.544 . . . . 0.0 110.422 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.46 126.81 33.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 168.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' E' ' 6' ' ' ARG . 3.5 tpm_? -135.24 128.67 32.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.309 1.044 . . . . 0.0 109.752 -169.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -88.08 163.88 16.02 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 119.399 1.0 . . . . 0.0 112.753 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -59.27 137.92 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.173 -174.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.84 -5.44 82.08 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.037 -0.868 . . . . 0.0 114.21 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -96.36 -178.96 4.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.9 1.35 . . . . 0.0 111.535 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.51 160.96 37.68 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mm -133.63 155.71 40.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 127.731 2.412 . . . . 0.0 108.105 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.34 150.76 50.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.17 -0.956 . . . . 0.0 113.399 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -138.14 139.32 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.765 1.226 . . . . 0.0 109.219 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.23 -137.03 47.84 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -125.06 8.47 8.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.191 0.997 . . . . 0.0 111.605 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -136.31 -7.02 2.02 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.55 133.94 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 118.77 0.714 . . . . 0.0 110.771 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -126.85 142.57 51.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.442 1.097 . . . . 0.0 110.044 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -121.51 137.25 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 108.125 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 53.9 m -133.28 126.71 32.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 109.705 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.02 99.71 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.35 -30.44 68.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.962 -0.461 . . . . 0.0 110.904 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.2 -169.14 33.69 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.038 0.351 . . . . 0.0 113.484 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -125.28 158.84 33.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.645 0.778 . . . . 0.0 112.504 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -146.52 89.97 1.89 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.922 1.289 . . . . 0.0 109.46 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.92 -104.3 1.69 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 -176.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -100.45 -15.7 17.82 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.253 0.621 . . . . 0.0 111.798 171.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.07 146.48 39.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.627 0.727 . . . . 0.0 109.344 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -140.0 108.01 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -87.89 123.23 32.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.25 130.21 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.833 0.853 . . . . 0.0 110.335 -168.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.11 138.36 14.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.66 132.2 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.348 1.059 . . . . 0.0 109.152 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -132.14 98.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -172.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.4 155.33 80.85 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.671 1.188 . . . . 0.0 110.322 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.02 157.76 42.34 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.75 2.3 . . . . 0.0 112.107 172.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -71.6 -1.01 12.08 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.449 0.7 . . . . 0.0 112.63 172.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.74 -22.8 66.04 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.654 1.182 . . . . 0.0 111.754 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -122.49 158.64 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.046 0.938 . . . . 0.0 110.733 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.66 158.21 16.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.896 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.99 129.4 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.029 0.532 . . . . 0.0 110.239 169.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -151.2 169.29 22.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.2 1.0 . . . . 0.0 110.317 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -64.6 156.27 30.56 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.32 -23.83 67.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.145 -0.347 . . . . 0.0 111.254 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.13 -50.41 69.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.18 0.992 . . . . 0.0 111.029 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -79.32 -33.15 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.77 -35.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.673 0.789 . . . . 0.0 112.272 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.34 -25.18 64.07 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.147 0.579 . . . . 0.0 112.522 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -72.15 -25.97 61.92 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.025 0.53 . . . . 0.0 110.297 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . 0.4 HG21 HD13 ' E' ' 51' ' ' ILE . 90.6 mt -98.91 -29.68 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.32 1.048 . . . . 0.0 110.912 -169.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 176.93 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.254 0.073 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -94.79 150.22 20.43 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.074 0.55 . . . . 0.0 111.571 174.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.58 132.37 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 169.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -129.91 159.4 36.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.014 1.326 . . . . 0.0 109.937 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -130.39 102.19 6.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' F' ' 12' ' ' ILE . 1.2 mmp_? -104.86 162.02 13.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.542 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -118.15 173.43 6.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 169.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -57.06 135.31 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.818 -169.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.0 -4.36 78.07 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.357 0.98 . . . . 0.0 114.185 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -99.57 171.59 7.83 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.651 1.225 . . . . 0.0 112.329 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -138.31 166.84 23.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.419 HD11 ' HG3' ' F' ' 6' ' ' ARG . 13.4 mt -152.18 156.41 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 128.455 2.702 . . . . 0.0 107.402 -169.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -136.25 152.35 50.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.47 -0.768 . . . . 0.0 112.534 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.37 141.39 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.721 1.208 . . . . 0.0 108.878 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.52 -134.36 52.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -174.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.67 10.11 6.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.422 1.089 . . . . 0.0 112.399 174.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -133.33 -17.26 2.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -100.35 137.67 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.285 0.948 . . . . 0.0 110.871 -171.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -132.58 139.55 47.86 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.395 1.078 . . . . 0.0 110.132 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.5 mm -121.17 143.18 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.906 1.282 . . . . 0.0 108.621 175.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -138.96 128.54 24.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.609 0.764 . . . . 0.0 109.923 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.21 117.71 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -86.37 -30.62 22.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.177 0.591 . . . . 0.0 111.055 -176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.93 -175.28 33.75 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 122.888 0.28 . . . . 0.0 113.507 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.84 157.93 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 123.102 0.561 . . . . 0.0 112.154 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -149.98 103.45 3.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.443 1.097 . . . . 0.0 109.118 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.44 -114.22 6.32 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -96.59 -15.24 21.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.177 0.489 . . . . 0.0 112.189 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.73 142.3 38.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.531 0.732 . . . . 0.0 110.386 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.7 t -132.48 113.79 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -174.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -88.4 127.51 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.425 0.69 . . . . 0.0 109.52 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -133.21 135.31 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.905 0.882 . . . . 0.0 110.555 -168.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.82 138.72 14.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.243 0.925 . . . . 0.0 111.102 170.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.4 mt -130.99 130.17 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.627 1.171 . . . . 0.0 108.732 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -133.3 108.57 8.82 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.053 0.541 . . . . 0.0 109.72 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.63 158.74 74.84 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 124.01 0.924 . . . . 0.0 111.257 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.08 162.42 32.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.927 2.418 . . . . 0.0 112.239 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.1 -11.39 58.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.569 0.748 . . . . 0.0 112.61 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -19.79 66.16 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.034 1.334 . . . . 0.0 112.627 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -128.21 164.79 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.848 0.859 . . . . 0.0 111.224 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 162.53 13.53 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.733 172.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -154.95 119.92 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.68 0.792 . . . . 0.0 110.078 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.56 176.16 12.01 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.695 0.798 . . . . 0.0 110.658 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -80.38 163.88 23.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.83 -0.544 . . . . 0.0 110.104 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.16 -31.18 68.75 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.912 0.485 . . . . 0.0 112.261 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -47.59 78.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.9 0.88 . . . . 0.0 111.443 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -86.84 -29.95 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.643 0.777 . . . . 0.0 110.327 -170.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -50.95 -36.7 40.17 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.298 1.039 . . . . 0.0 112.693 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.59 -21.93 63.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 112.395 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.48 -22.95 53.85 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.808 0.843 . . . . 0.0 110.737 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.498 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.4 mp . . . . . 0 N--CA 1.455 -0.183 0 C-N-CA 124.822 1.249 . . . . 0.0 109.84 -177.578 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.0 ttp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.24 110.06 22.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.67 0.788 . . . . 0.0 109.534 -175.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -92.64 135.88 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -131.58 162.28 30.7 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.971 0.908 . . . . 0.0 110.169 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.8 m -126.18 100.81 6.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.67 139.45 52.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.363 1.065 . . . . 0.0 110.237 -167.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -106.78 161.09 14.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.008 0.367 . . . . 0.0 110.174 -169.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -49.55 125.26 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.926 0.49 . . . . 0.0 110.034 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.31 -7.12 80.8 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.375 0.988 . . . . 0.0 114.994 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -76.58 155.44 33.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.087 1.444 . . . . 0.0 111.645 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -128.78 147.19 50.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.627 0.771 . . . . 0.0 112.232 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 19.0 mm -124.66 156.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.647 1.979 . . . . 0.0 108.09 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -132.23 136.76 47.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.955 0.902 . . . . 0.0 110.247 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -132.68 130.69 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.187 0.995 . . . . 0.0 109.673 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.7 -130.68 36.99 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -126.65 2.31 6.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.664 0.785 . . . . 0.0 112.242 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -134.72 -13.53 2.22 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.2 135.78 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.074 0.852 . . . . 0.0 110.763 -173.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -130.07 141.51 50.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.414 1.086 . . . . 0.0 109.498 172.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -123.35 137.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.49 1.116 . . . . 0.0 108.771 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -129.64 143.38 50.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.906 0.882 . . . . 0.0 109.895 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -98.01 112.64 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 168.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.87 -23.12 39.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -169.14 36.74 Favored Glycine 0 C--N 1.338 0.658 0 C-N-CA 123.284 0.469 . . . . 0.0 113.259 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.53 155.9 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.66 0.784 . . . . 0.0 111.497 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -138.76 62.17 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.973 1.309 . . . . 0.0 109.575 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.26 -120.67 9.54 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -173.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.64 -4.87 51.13 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.457 0.703 . . . . 0.0 112.1 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.91 160.75 14.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.017 0.913 . . . . 0.0 112.344 169.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.59 126.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 126.38 1.872 . . . . 0.0 108.12 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -104.89 101.85 11.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.673 0.789 . . . . 0.0 110.371 -175.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 mt -107.63 139.39 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.816 1.646 . . . . 0.0 109.753 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.61 142.23 17.47 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 124.101 0.857 . . . . 0.0 111.441 169.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.51 138.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.224 1.41 . . . . 0.0 108.31 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -126.92 75.03 1.54 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.519 1.127 . . . . 0.0 109.242 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.85 44.47 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 125.151 1.38 . . . . 0.0 110.697 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.93 155.22 53.28 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.503 2.135 . . . . 0.0 110.525 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -68.58 -4.66 16.13 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.4 -23.11 63.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.934 0.894 . . . . 0.0 111.942 169.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -120.08 144.06 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.097 0.951 . . . . 0.0 111.849 174.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.76 143.08 38.28 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.406 1.082 . . . . 0.0 111.359 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.4 t -127.19 120.45 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.318 0.647 . . . . 0.0 109.549 170.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.8 m-70 -149.27 -175.97 5.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.79 0.836 . . . . 0.0 110.69 -177.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.38 165.87 23.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.686 171.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -24.02 67.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -169.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 40.1 tt0 -64.01 -20.06 65.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.326 1.051 . . . . 0.0 112.377 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.86 -25.12 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.492 1.517 . . . . 0.0 110.847 -173.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HA ' HD12 ' A' ' 51' ' ' ILE . 63.6 t80 -60.2 -31.28 70.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 120.415 -1.428 . . . . 0.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.55 -9.87 59.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.732 0.813 . . . . 0.0 112.021 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.0 -26.47 21.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.138 0.975 . . . . 0.0 111.158 169.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.71 HG22 HE21 ' A' ' 52' ' ' GLN . 75.4 mt -69.65 -50.84 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.112 0.965 . . . . 0.0 109.191 173.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.71 HE21 HG22 ' A' ' 51' ' ' ILE . 40.4 mm-40 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.678 -0.201 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -115.35 124.06 50.28 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.143 1.377 . . . . 0.0 107.298 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 57.8 mt -119.29 140.56 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -165.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt -136.91 141.57 42.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.202 1.401 . . . . 0.0 110.841 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 m -120.23 104.8 10.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -129.8 163.26 26.63 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.939 0.896 . . . . 0.0 110.633 -170.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -97.37 170.21 9.22 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -64.74 134.13 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.743 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.37 -2.79 68.39 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.352 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -85.91 161.81 18.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.917 1.359 . . . . 0.0 111.906 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -129.44 146.92 51.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.415 0.686 . . . . 0.0 111.878 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 11.1 mt -130.44 153.78 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.729 1.612 . . . . 0.0 109.074 -172.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -136.18 141.47 44.06 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.639 -0.663 . . . . 0.0 112.218 -169.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -134.6 131.11 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.88 0.872 . . . . 0.0 109.931 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.05 -136.95 50.82 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.74 4.92 7.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.931 0.893 . . . . 0.0 112.602 173.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -115.64 -16.88 11.24 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.18 134.97 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 119.315 0.961 . . . . 0.0 111.368 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -132.78 151.0 52.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.863 1.265 . . . . 0.0 109.961 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.93 147.6 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.289 1.836 . . . . 0.0 108.043 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -138.54 125.99 21.85 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.914 0.485 . . . . 0.0 110.057 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.44 103.21 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -73.06 -31.24 64.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.195 -0.315 . . . . 0.0 110.674 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 168.99 20.63 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.63 146.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.542 0.687 . . . . 0.0 110.165 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -125.31 70.36 1.17 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.156 1.382 . . . . 0.0 107.411 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.04 -123.69 6.19 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.241 -171.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.41 8.23 41.35 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.102 0.561 . . . . 0.0 110.961 172.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -98.96 154.05 18.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 109.263 170.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.6 113.36 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.71 119.12 26.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.741 1.217 . . . . 0.0 109.524 -179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.61 133.32 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.79 0.836 . . . . 0.0 110.047 -169.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.75 137.32 13.61 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.0 mt -117.28 132.66 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.816 0.817 . . . . 0.0 109.192 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -132.26 77.24 1.74 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.602 -167.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 156.84 63.03 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.404 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.93 156.09 30.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.768 1.646 . . . . 0.0 110.554 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.36 -0.67 3.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.32 0.648 . . . . 0.0 112.175 169.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.536 1.535 . . . . 0.0 111.512 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -114.49 144.09 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.455 1.102 . . . . 0.0 110.532 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.37 142.97 28.92 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.433 0.635 . . . . 0.0 111.499 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.38 99.7 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.295 -166.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.91 163.22 36.82 Favored 'General case' 0 CA--C 1.524 -0.048 0 C-N-CA 123.163 0.585 . . . . 0.0 112.14 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.4 ptm180 -71.51 158.34 36.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.012 0.525 . . . . 0.0 111.397 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -51.04 -41.84 60.11 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.859 0.864 . . . . 0.0 112.277 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -47.99 -48.66 32.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.835 0.454 . . . . 0.0 110.956 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mm -76.69 -47.53 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 125.058 1.343 . . . . 0.0 110.01 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.21 -38.03 50.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.464 1.106 . . . . 0.0 111.874 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.12 -25.58 65.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -82.17 -39.11 23.66 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.053 0.842 . . . . 0.0 110.587 172.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.525 HG22 ' NE2' ' B' ' 52' ' ' GLN . 98.2 mt -62.6 -40.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.525 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.6 mm-40 -80.67 4.94 17.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 173.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.52 -9.98 59.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.45 0.7 . . . . 0.0 112.459 169.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.65 43.97 0.23 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.888 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.25 -175.53 2.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.689 0.744 . . . . 0.0 112.628 -167.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.1 p -130.84 177.77 7.17 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.221 1.408 . . . . 0.0 109.099 167.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.25 122.86 0.88 Allowed Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 124.678 1.191 . . . . 0.0 111.923 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.31 151.85 21.58 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.634 2.889 . . . . 0.0 113.376 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 CA--C 1.529 0.172 0 C-N-CA 124.284 1.033 . . . . 0.0 113.499 170.314 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.2 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.79 105.56 9.05 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 126.567 1.947 . . . . 0.0 106.119 164.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -82.68 137.63 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.431 1.092 . . . . 0.0 109.922 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -133.11 140.83 47.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.721 1.208 . . . . 0.0 110.186 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -103.07 128.4 49.97 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.835 0.454 . . . . 0.0 110.81 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.425 ' CG ' HD11 ' C' ' 12' ' ' ILE . 21.6 mmm180 -120.52 153.82 36.17 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.442 0.697 . . . . 0.0 110.39 174.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.528 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -90.39 162.04 15.3 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 167.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.8 139.45 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 O-C-N 120.909 -1.12 . . . . 0.0 111.754 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.5 89.39 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.753 1.168 . . . . 0.0 113.781 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -90.58 166.78 13.01 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.966 1.383 . . . . 0.0 112.006 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -128.63 162.89 26.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -169.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' C' ' 6' ' ' ARG . 12.1 mt -140.75 160.64 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 127.293 2.237 . . . . 0.0 108.221 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -131.04 147.36 52.62 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.718 1.207 . . . . 0.0 111.36 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.53 139.63 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.546 1.139 . . . . 0.0 108.999 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.37 -137.46 49.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.62 8.01 9.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.007 0.923 . . . . 0.0 111.58 170.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.97 -9.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.069 0.947 . . . . 0.0 112.952 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.28 138.07 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.366 0.666 . . . . 0.0 110.739 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -130.77 146.18 52.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.94 1.296 . . . . 0.0 109.372 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -127.07 143.98 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.249 1.419 . . . . 0.0 108.146 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -134.27 129.0 34.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.848 0.459 . . . . 0.0 109.92 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.456 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -84.83 112.25 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 169.118 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.73 -45.56 14.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.666 -0.647 . . . . 0.0 110.138 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.12 177.67 47.77 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.072 168.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -112.85 150.58 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.112 0.565 . . . . 0.0 110.846 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -146.22 108.64 4.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 169.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.93 -142.07 30.23 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.409 -169.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.55 0.41 50.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.25 1.02 . . . . 0.0 110.84 168.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.98 145.86 27.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.848 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.456 HG13 HD11 ' C' ' 22' ' ' ILE . 38.7 t -133.55 116.28 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -78.82 114.94 18.18 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mt -119.64 133.45 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.899 1.279 . . . . 0.0 109.08 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.3 142.12 15.42 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.543 1.068 . . . . 0.0 112.115 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -122.9 130.98 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.848 1.259 . . . . 0.0 108.641 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -126.37 97.69 5.15 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.434 0.694 . . . . 0.0 109.718 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.43 156.07 80.52 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.168 0.987 . . . . 0.0 110.324 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.86 151.91 83.09 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.76 2.306 . . . . 0.0 110.946 170.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.96 -0.89 3.44 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.219 0.608 . . . . 0.0 112.578 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.91 -22.08 66.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.352 1.061 . . . . 0.0 111.211 168.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -126.38 152.9 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.366 1.066 . . . . 0.0 110.714 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.63 155.43 19.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.831 0.453 . . . . 0.0 111.679 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.56 133.06 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.239 0.616 . . . . 0.0 109.798 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -154.23 167.59 29.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.538 0.735 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . 0.485 ' HA ' HD13 ' D' ' 12' ' ' ILE . 83.8 mtm-85 -75.79 159.87 30.58 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 166.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.19 -32.85 71.48 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 118.299 0.499 . . . . 0.0 111.527 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -57.97 -47.68 82.23 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.973 0.909 . . . . 0.0 111.787 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.66 -30.99 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.36 0.664 . . . . 0.0 110.74 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -53.44 -36.91 62.07 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.293 1.037 . . . . 0.0 111.892 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.97 -25.87 67.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.573 0.749 . . . . 0.0 112.585 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -73.19 -39.4 65.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.347 0.659 . . . . 0.0 111.726 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.455 -0.212 0 O-C-N 121.995 -0.441 . . . . 0.0 109.834 176.166 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.542 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.2 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.9 109.49 15.17 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.722 1.609 . . . . 0.0 109.232 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.542 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -102.64 143.27 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 125.578 1.551 . . . . 0.0 110.358 -174.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . 0.414 HD22 HH11 ' C' ' 44' ' ' ARG . 94.1 mt -140.92 166.05 25.84 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 125.485 1.514 . . . . 0.0 111.419 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.83 112.34 23.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.78 0.832 . . . . 0.0 109.118 166.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.93 144.5 36.79 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.237 0.615 . . . . 0.0 111.12 169.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -86.06 161.4 18.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.227 0.611 . . . . 0.0 109.8 168.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.624 HG11 HG12 ' D' ' 25' ' ' VAL . 22.7 m -51.81 138.41 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 168.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.55 -0.05 86.62 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.191 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -99.25 171.7 7.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.581 1.19 . . . . 0.0 111.885 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -136.43 158.76 43.66 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' C' ' 44' ' ' ARG . 36.9 mm -141.07 155.28 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 128.075 2.55 . . . . 0.0 108.096 -172.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -133.33 150.16 51.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.312 -0.868 . . . . 0.0 112.319 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.95 139.79 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.769 1.228 . . . . 0.0 109.163 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.76 -135.62 51.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -128.77 10.04 5.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 112.6 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -131.94 -6.9 3.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -115.28 136.4 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.203 0.91 . . . . 0.0 111.02 -171.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 37.0 m -128.4 147.06 50.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.76 1.224 . . . . 0.0 109.846 175.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.04 140.66 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.376 1.471 . . . . 0.0 108.228 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 52.0 m -137.21 127.52 26.42 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.241 0.616 . . . . 0.0 109.514 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.07 107.41 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 mt -79.82 -30.38 40.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.842 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.72 -175.95 43.72 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 120.988 0.215 . . . . 0.0 113.203 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.624 HG12 HG11 ' D' ' 8' ' ' VAL . 8.9 p -132.21 132.77 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.619 1.167 . . . . 0.0 110.064 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -135.36 90.3 2.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.936 1.294 . . . . 0.0 108.988 -173.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.47 -119.74 9.56 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.587 -0.696 . . . . 0.0 111.559 -172.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.528 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.5 mp0 -93.2 -11.07 33.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.866 0.866 . . . . 0.0 110.575 174.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -77.52 149.29 34.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.442 0.639 . . . . 0.0 111.407 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.0 120.01 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 107.055 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.83 109.19 21.2 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.07 0.948 . . . . 0.0 108.823 -173.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.1 127.15 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.633 0.773 . . . . 0.0 109.938 -169.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.26 137.66 13.49 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 124.169 0.89 . . . . 0.0 110.988 173.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' C' ' 1' ' ' MET . 5.2 mp -122.57 141.99 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.792 0.837 . . . . 0.0 109.06 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.06 102.98 4.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.637 0.775 . . . . 0.0 109.283 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.7 156.81 72.81 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.582 1.153 . . . . 0.0 109.304 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.72 151.66 82.57 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.235 1.956 . . . . 0.0 110.828 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -70.27 -1.07 9.28 Favored 'General case' 0 CA--C 1.526 0.029 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -20.9 65.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.872 1.269 . . . . 0.0 111.518 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -126.41 160.06 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.391 1.076 . . . . 0.0 110.854 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.34 157.1 16.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -149.78 122.66 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.116 0.566 . . . . 0.0 109.89 167.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -149.41 162.61 39.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.628 0.771 . . . . 0.0 111.03 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -60.54 155.37 18.73 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 122.921 0.488 . . . . 0.0 109.72 169.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -64.28 -26.27 68.41 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.796 0.725 . . . . 0.0 111.879 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.03 -18.65 59.17 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -98.62 -33.54 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.879 1.272 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.55 -44.11 72.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.94 0.896 . . . . 0.0 110.391 172.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -65.82 -23.94 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mtt85 -74.84 -42.18 58.46 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.699 0.681 . . . . 0.0 110.628 171.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 68.7 mt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 178.287 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.93 136.0 51.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.364 1.865 . . . . 0.0 108.315 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 mm -113.8 137.95 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.25 1.02 . . . . 0.0 109.084 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 tp -154.37 140.88 18.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.126 0.57 . . . . 0.0 110.544 -168.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 138.15 51.07 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.599 0.76 . . . . 0.0 110.031 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -142.62 124.31 15.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.155 0.982 . . . . 0.0 109.633 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -90.26 165.1 14.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.891 1.223 . . . . 0.0 112.063 171.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -59.14 138.21 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.15 -169.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.06 -3.87 84.59 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 123.94 0.781 . . . . 0.0 114.391 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -94.28 176.61 6.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.624 1.212 . . . . 0.0 111.068 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.9 m -141.08 158.9 43.29 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -137.82 155.95 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 126.949 2.1 . . . . 0.0 108.583 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -133.25 151.18 51.91 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.331 -0.855 . . . . 0.0 112.828 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -137.16 143.75 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.666 1.186 . . . . 0.0 109.142 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -138.13 49.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.16 9.98 8.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.905 0.882 . . . . 0.0 111.821 172.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -141.0 -1.06 1.42 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.6 136.01 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.975 0.807 . . . . 0.0 110.904 -174.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -129.15 145.52 51.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.52 1.128 . . . . 0.0 110.17 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -126.19 138.08 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.721 1.608 . . . . 0.0 108.179 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.3 m -134.51 130.06 36.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.947 0.499 . . . . 0.0 110.072 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -82.91 106.69 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.21 -28.67 60.06 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.043 0.537 . . . . 0.0 110.92 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 -172.32 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.75 0.69 . . . . 0.0 113.399 169.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.33 157.25 27.04 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 123.625 0.77 . . . . 0.0 111.926 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -146.62 92.02 2.1 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.735 1.214 . . . . 0.0 109.451 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -116.17 5.09 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 121.56 -0.712 . . . . 0.0 111.566 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -86.35 -13.08 47.53 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.764 0.782 . . . . 0.0 110.811 169.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.1 154.3 29.48 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.624 0.726 . . . . 0.0 110.81 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -146.58 104.56 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 126.899 2.079 . . . . 0.0 105.389 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -86.22 123.44 31.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.38 137.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 C-N-CA 123.191 0.596 . . . . 0.0 111.207 -168.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.91 144.59 16.08 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.565 1.078 . . . . 0.0 111.841 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.73 131.14 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.359 1.464 . . . . 0.0 108.79 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -132.78 100.2 4.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -172.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.3 155.82 75.56 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.794 1.238 . . . . 0.0 110.267 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.18 158.13 31.85 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.59 2.193 . . . . 0.0 111.669 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -69.17 -0.98 6.72 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.435 0.694 . . . . 0.0 112.572 169.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.93 -23.35 67.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.194 1.397 . . . . 0.0 111.988 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.3 157.85 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 110.986 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.72 156.69 16.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.976 0.51 . . . . 0.0 111.876 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.09 125.76 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.151 0.581 . . . . 0.0 110.826 171.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -152.13 171.09 18.44 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.401 1.081 . . . . 0.0 110.925 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -68.15 159.64 30.63 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.743 -0.598 . . . . 0.0 109.473 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.51 -25.22 65.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.277 0.231 . . . . 0.0 111.435 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -66.04 -51.64 56.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.993 0.917 . . . . 0.0 111.469 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.68 -30.88 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 109.778 -175.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -56.18 -35.29 67.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.587 0.755 . . . . 0.0 112.531 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.18 -25.68 63.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.734 -0.604 . . . . 0.0 112.265 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.07 -24.02 60.62 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.094 0.557 . . . . 0.0 110.209 175.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 83.5 mt -99.07 -27.88 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.321 1.448 . . . . 0.0 112.112 -173.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 175.59 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.484 0.183 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -97.29 148.89 22.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.073 0.549 . . . . 0.0 111.337 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.07 136.46 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.948 0.899 . . . . 0.0 108.905 171.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt -132.91 159.57 39.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.714 1.206 . . . . 0.0 109.846 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -128.59 98.03 4.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.299 169.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.566 ' HD3' HD11 ' F' ' 12' ' ' ILE . 3.0 ttp180 -105.01 162.18 13.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.079 1.752 . . . . 0.0 110.968 -177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -122.92 173.41 7.81 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -53.17 134.79 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.883 -172.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.58 73.73 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.287 0.946 . . . . 0.0 114.889 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.39 172.62 9.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.458 1.629 . . . . 0.0 112.864 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.98 155.02 48.34 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.495 -0.753 . . . . 0.0 112.82 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.566 HD11 ' HD3' ' F' ' 6' ' ' ARG . 48.5 mm -128.11 157.26 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.857 2.063 . . . . 0.0 108.236 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -128.45 150.4 50.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.37 0.668 . . . . 0.0 112.125 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 mt -134.6 143.8 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.66 1.184 . . . . 0.0 108.963 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.26 -134.93 51.92 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -125.56 10.03 7.82 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.049 0.939 . . . . 0.0 111.61 174.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -141.58 -11.94 0.9 Allowed 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.98 136.69 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 119.133 0.879 . . . . 0.0 110.502 -173.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -129.33 144.07 51.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.374 1.069 . . . . 0.0 110.39 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -124.9 142.25 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.497 1.519 . . . . 0.0 108.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 58.7 m -139.48 141.14 37.38 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.642 0.777 . . . . 0.0 110.373 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -99.1 108.91 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.46 -32.75 48.55 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.897 0.479 . . . . 0.0 110.399 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.19 -177.7 35.64 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.173 0.416 . . . . 0.0 113.104 169.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.81 153.93 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.303 0.641 . . . . 0.0 111.782 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -141.57 89.94 2.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.919 1.288 . . . . 0.0 109.247 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.63 -103.98 1.29 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.947 -0.471 . . . . 0.0 111.938 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -98.9 -21.98 16.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.518 0.659 . . . . 0.0 112.037 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.8 147.24 47.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.54 0.686 . . . . 0.0 110.222 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -135.91 114.59 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -89.39 123.67 33.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -128.5 141.75 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.677 1.191 . . . . 0.0 109.877 -167.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.69 138.54 14.77 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 170.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -127.0 138.53 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.017 0.927 . . . . 0.0 109.541 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -136.3 102.19 4.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.669 0.788 . . . . 0.0 109.759 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.48 158.36 70.01 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.276 1.031 . . . . 0.0 111.458 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.87 162.68 31.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.934 2.422 . . . . 0.0 112.389 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.37 -4.66 27.42 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.557 0.743 . . . . 0.0 112.694 172.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.48 -17.55 62.97 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.754 1.222 . . . . 0.0 112.482 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -129.69 167.91 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.018 0.927 . . . . 0.0 111.257 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.2 163.74 12.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.811 0.844 . . . . 0.0 111.396 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.1 125.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.395 173.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -152.89 177.54 10.64 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.906 0.882 . . . . 0.0 110.596 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -76.99 166.32 23.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.814 -0.554 . . . . 0.0 109.808 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -59.56 -29.3 67.83 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -61.18 -54.03 49.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.347 0.659 . . . . 0.0 110.835 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.93 -31.12 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 122.947 0.499 . . . . 0.0 110.405 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -50.33 -35.24 26.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.198 0.999 . . . . 0.0 113.034 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -60.24 -21.97 62.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.978 0.911 . . . . 0.0 112.395 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -75.64 -45.77 35.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.505 0.722 . . . . 0.0 109.502 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.518 HD12 ' N ' ' F' ' 51' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.454 -0.248 0 C-N-CA 124.674 1.189 . . . . 0.0 110.228 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tmm? . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 113.98 27.84 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.707 0.685 . . . . 0.0 109.79 -174.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.45 140.07 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.224 1.01 . . . . 0.0 110.522 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.0 mt -133.48 160.75 36.48 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.333 1.053 . . . . 0.0 109.862 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -127.99 100.86 6.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -127.06 142.76 51.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.824 -0.548 . . . . 0.0 110.788 -169.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -96.48 162.48 13.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.584 1.154 . . . . 0.0 110.25 -168.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.683 HG11 HG13 ' A' ' 25' ' ' VAL . 31.9 m -62.32 129.3 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 119.85 -0.74 . . . . 0.0 112.086 -169.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.9 57.02 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.412 1.005 . . . . 0.0 114.174 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -90.25 164.15 14.5 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.847 1.323 . . . . 0.0 111.942 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -133.71 147.71 51.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -169.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.8 mm -114.19 154.69 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 125.442 1.497 . . . . 0.0 109.956 174.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -127.39 136.66 52.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.1 0.96 . . . . 0.0 110.643 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mt -131.85 130.55 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.511 1.125 . . . . 0.0 109.427 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.43 -129.5 25.56 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -130.0 3.56 4.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.861 0.864 . . . . 0.0 112.431 172.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -135.15 -13.35 2.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -169.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.42 138.97 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.935 0.789 . . . . 0.0 110.416 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -136.31 146.82 47.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.655 0.782 . . . . 0.0 109.049 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -125.54 141.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.626 1.171 . . . . 0.0 107.954 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -136.12 125.98 25.76 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.439 HD12 HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -86.0 105.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.011 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -33.62 64.85 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -169.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -170.97 38.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 165.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.683 HG13 HG11 ' A' ' 8' ' ' VAL . 21.5 m -91.23 160.37 2.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 C-N-CA 124.4 1.08 . . . . 0.0 111.973 -172.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -151.08 60.95 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.007 0.923 . . . . 0.0 110.623 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.64 -132.98 12.45 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -86.42 19.91 2.62 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.839 0.855 . . . . 0.0 111.901 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -129.15 153.0 48.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.006 1.322 . . . . 0.0 110.928 171.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.83 134.6 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.866 1.666 . . . . 0.0 109.9 -167.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -98.45 101.92 13.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.727 0.811 . . . . 0.0 110.027 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -107.07 134.33 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.279 1.431 . . . . 0.0 109.281 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.0 139.74 15.69 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.039 0.828 . . . . 0.0 111.749 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.47 138.83 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.17 1.388 . . . . 0.0 108.747 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -126.31 74.96 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.758 1.223 . . . . 0.0 109.65 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.72 153.52 45.92 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.991 175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -75.51 155.84 40.66 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.816 2.344 . . . . 0.0 110.633 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.41 -4.08 13.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -68.72 -25.57 64.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.961 0.905 . . . . 0.0 112.003 169.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -117.15 144.07 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.805 0.812 . . . . 0.0 111.653 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.33 143.09 32.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.75 0.82 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.54 127.99 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.708 0.403 . . . . 0.0 110.205 171.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.512 ' CD2' HD11 ' A' ' 51' ' ' ILE . 94.3 m-70 -151.66 -175.99 5.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 110.011 -171.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.44 168.07 15.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 170.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.32 -41.87 66.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.879 1.272 . . . . 0.0 112.338 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.89 -25.05 56.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.368 1.467 . . . . 0.0 112.989 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.32 -23.32 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.064 1.345 . . . . 0.0 111.086 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -62.57 -32.43 73.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.394 0.678 . . . . 0.0 110.378 -175.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -75.43 -10.59 59.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.19 0.596 . . . . 0.0 112.134 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.76 -34.21 30.55 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.205 1.002 . . . . 0.0 110.475 169.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.573 HG22 HE21 ' A' ' 52' ' ' GLN . 21.4 mt -63.1 -53.96 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.933 0.893 . . . . 0.0 108.633 172.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.573 HE21 HG22 ' A' ' 51' ' ' ILE . 80.0 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 123.9 0.88 . . . . 0.0 112.461 -174.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.7 tpp . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.81 -0.138 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.26 121.57 43.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 51.3 mt -118.19 139.83 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.053 0.541 . . . . 0.0 112.077 -165.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -135.63 143.3 45.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.278 1.431 . . . . 0.0 110.716 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -120.13 102.44 8.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -130.77 151.89 50.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 123.92 0.888 . . . . 0.0 112.065 -168.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -77.3 160.07 29.11 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.646 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.13 137.09 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.04 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.09 -5.65 68.6 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.058 -0.856 . . . . 0.0 114.601 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -86.2 160.66 19.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 119.034 1.417 . . . . 0.0 112.211 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.8 m -124.87 146.43 49.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.222 1.009 . . . . 0.0 111.326 -173.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 7.4 mt -135.75 151.79 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.127 1.371 . . . . 0.0 109.157 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -135.96 143.55 44.94 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -134.91 129.73 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.414 1.085 . . . . 0.0 109.747 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.02 -136.31 51.0 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -121.35 -0.26 9.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.714 0.806 . . . . 0.0 112.348 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.78 -18.41 10.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.584 0.754 . . . . 0.0 112.973 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 133.12 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.816 0.735 . . . . 0.0 110.77 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.7 m -128.87 148.09 50.87 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.249 1.02 . . . . 0.0 109.792 169.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -126.42 146.22 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 126.027 1.731 . . . . 0.0 107.818 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -136.74 129.32 30.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.77 99.69 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 170.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -68.7 -33.08 73.33 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.048 -0.408 . . . . 0.0 110.626 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.36 -176.67 37.01 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 172.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.06 145.04 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 110.192 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -116.63 73.49 0.86 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 170.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.52 -117.92 4.9 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.649 -172.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 9.58 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.111 -0.64 . . . . 0.0 111.182 174.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.9 155.63 17.3 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.294 1.038 . . . . 0.0 109.608 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 t -134.03 117.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.57 115.7 22.75 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.868 1.267 . . . . 0.0 109.388 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.95 129.85 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.212 1.005 . . . . 0.0 109.692 -171.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.04 140.9 15.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -124.99 130.59 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 121.957 0.884 . . . . 0.0 109.207 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.94 74.95 1.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.264 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.57 157.53 51.59 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.255 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -60.2 154.89 48.89 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.46 1.44 . . . . 0.0 110.186 168.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mttt -69.3 -0.7 6.59 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.795 1.238 . . . . 0.0 113.01 170.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.83 -24.84 66.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.702 1.601 . . . . 0.0 111.131 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -112.29 144.15 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.584 1.154 . . . . 0.0 110.145 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.39 143.01 28.88 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.498 0.666 . . . . 0.0 111.381 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 t -142.81 98.69 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.198 -166.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -143.89 162.29 36.5 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.83 0.852 . . . . 0.0 111.161 176.459 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.4 ptt-85 -68.34 155.84 38.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.046 0.539 . . . . 0.0 111.267 169.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.71 -41.55 73.98 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 123.292 0.637 . . . . 0.0 112.642 -171.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.19 -24.07 66.05 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.65 -50.18 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.023 0.929 . . . . 0.0 110.732 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -51.1 -35.66 36.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.448 1.099 . . . . 0.0 111.909 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.97 -21.25 62.34 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -79.67 -39.79 30.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 119.509 1.05 . . . . 0.0 110.23 169.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.507 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.0 mt -64.14 -40.54 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.507 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.2 mm-40 -80.35 4.98 16.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 173.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.91 -19.52 44.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.046 0.539 . . . . 0.0 111.566 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.91 46.68 0.08 OUTLIER Glycine 0 C--N 1.338 0.668 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.37 169.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.04 -176.07 2.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.944 0.872 . . . . 0.0 112.812 -168.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 32.1 p -126.33 -179.58 4.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.429 1.492 . . . . 0.0 109.462 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.79 120.01 1.7 Allowed Pre-proline 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.399 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -66.71 172.04 10.02 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.963 1.775 . . . . 0.0 114.674 -169.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-N 114.327 -1.306 . . . . 0.0 112.417 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.094 -0.479 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.69 107.82 17.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 168.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -80.74 133.25 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.511 0.724 . . . . 0.0 109.526 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.46 135.02 48.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.013 0.925 . . . . 0.0 109.143 168.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -91.5 153.07 20.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.471 ' HD3' HG13 ' C' ' 12' ' ' ILE . 15.1 ttp180 -146.03 143.63 29.55 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.5 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 5.0 tptm -99.81 148.41 24.45 Favored 'General case' 0 C--N 1.334 -0.071 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.19 133.09 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.921 0.782 . . . . 0.0 112.149 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 -10.21 65.91 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 125.313 1.435 . . . . 0.0 114.68 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -90.08 -179.63 5.72 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.595 1.698 . . . . 0.0 112.589 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.39 160.84 39.81 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -167.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.471 HG13 ' HD3' ' C' ' 6' ' ' ARG . 78.3 mt -134.92 157.11 40.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 C-N-CA 127.051 2.14 . . . . 0.0 109.148 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -123.42 146.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.583 1.153 . . . . 0.0 111.759 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -132.61 137.85 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.505 1.122 . . . . 0.0 108.864 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -136.15 50.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -123.66 8.6 8.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.157 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -128.76 -9.11 5.0 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.116 0.966 . . . . 0.0 113.381 -169.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.05 136.62 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.596 0.635 . . . . 0.0 110.512 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -128.96 141.48 51.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.536 1.134 . . . . 0.0 109.596 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -125.24 140.85 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.929 1.292 . . . . 0.0 108.344 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -131.77 135.31 46.69 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.64 0.655 . . . . 0.0 111.016 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.415 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.0 tp -84.7 104.38 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.03 -37.75 46.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.64 -172.45 41.84 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 167.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.35 162.08 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.211 0.529 . . . . 0.0 111.268 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.2 71.06 1.34 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.998 1.319 . . . . 0.0 108.729 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -109.0 2.66 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -168.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -96.33 -8.39 32.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.182 0.993 . . . . 0.0 112.176 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -75.88 158.58 31.91 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.83 0.824 . . . . 0.0 112.199 172.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -137.83 108.9 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 126.198 1.799 . . . . 0.0 106.59 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -77.48 113.06 14.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.61 128.89 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.674 1.19 . . . . 0.0 109.841 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.71 139.19 15.27 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 125.031 1.301 . . . . 0.0 110.893 169.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.5 mt -128.82 131.28 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -132.47 95.38 3.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.94 154.55 68.57 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.846 0.858 . . . . 0.0 110.425 -176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.38 154.36 68.77 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.95 2.433 . . . . 0.0 111.352 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.63 -1.01 3.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.321 0.649 . . . . 0.0 112.604 171.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.89 -22.84 66.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.217 1.007 . . . . 0.0 111.346 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.84 148.81 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.137 0.975 . . . . 0.0 110.653 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 154.55 21.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.716 0.406 . . . . 0.0 111.188 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.63 129.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.169 0.588 . . . . 0.0 109.553 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -155.04 156.0 35.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 118.299 0.499 . . . . 0.0 112.006 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -75.76 161.64 28.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 166.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -33.14 71.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.15 -45.12 87.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.626 0.77 . . . . 0.0 111.632 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -88.54 -30.62 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.306 0.642 . . . . 0.0 110.64 -172.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.0 -38.14 55.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.722 0.809 . . . . 0.0 112.252 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.95 -30.82 68.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.764 0.826 . . . . 0.0 112.511 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -70.15 -35.66 74.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.301 0.64 . . . . 0.0 111.73 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp . . . . . 0 N--CA 1.454 -0.244 0 O-C-N 121.844 -0.535 . . . . 0.0 110.046 177.538 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mmm . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.856 -0.053 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -125.37 111.4 15.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.705 1.202 . . . . 0.0 108.346 168.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.71 139.0 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.786 1.234 . . . . 0.0 109.62 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.76 159.88 38.73 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.635 . . . . 0.0 112.034 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -94.61 138.48 32.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.138 0.575 . . . . 0.0 111.358 173.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.94 145.04 51.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.467 1.107 . . . . 0.0 108.688 167.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -94.77 163.44 13.35 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 118.25 0.477 . . . . 0.0 111.343 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.512 HG11 HG12 ' D' ' 25' ' ' VAL . 31.4 m -49.22 138.76 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 177.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.43 -1.79 84.43 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.097 0.856 . . . . 0.0 114.002 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -99.93 172.42 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.536 1.168 . . . . 0.0 112.472 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -132.0 158.34 41.76 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -169.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -143.9 164.45 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 126.909 2.084 . . . . 0.0 108.51 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -143.59 146.01 32.96 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.105 0.962 . . . . 0.0 111.78 -171.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.11 136.9 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.865 1.266 . . . . 0.0 109.158 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.2 -136.37 51.01 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -123.46 7.04 8.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.981 0.912 . . . . 0.0 111.821 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -131.15 -10.96 3.72 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.08 136.1 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.836 0.744 . . . . 0.0 110.503 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -131.14 143.8 50.91 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.422 1.089 . . . . 0.0 109.842 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -123.45 143.09 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.816 1.246 . . . . 0.0 108.354 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -133.07 129.13 37.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.536 0.735 . . . . 0.0 109.19 176.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.77 102.99 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.0 -33.07 61.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.231 0.613 . . . . 0.0 110.549 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.62 179.31 43.32 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-O 121.115 0.286 . . . . 0.0 113.171 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.512 HG12 HG11 ' D' ' 8' ' ' VAL . 7.2 p -121.95 133.1 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.639 1.176 . . . . 0.0 109.597 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -132.63 72.64 1.5 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.711 1.204 . . . . 0.0 109.523 -169.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -117.96 4.55 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.5 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -93.14 -8.72 41.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.415 0.686 . . . . 0.0 110.563 171.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -74.04 151.73 40.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.785 0.803 . . . . 0.0 111.445 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -132.88 117.32 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -92.55 111.28 22.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.096 0.958 . . . . 0.0 108.703 -175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -119.54 123.48 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.52 0.728 . . . . 0.0 110.411 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.98 132.62 11.31 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 170.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -120.48 140.03 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -138.09 100.84 4.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -174.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.71 154.41 81.46 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.236 1.014 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.34 149.97 82.98 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.011 1.807 . . . . 0.0 110.67 170.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -67.8 -2.87 7.92 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.202 0.601 . . . . 0.0 112.346 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 -21.59 66.43 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.855 1.262 . . . . 0.0 111.649 169.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.18 156.95 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.135 0.974 . . . . 0.0 110.622 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.34 156.96 16.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.923 0.489 . . . . 0.0 111.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.48 126.87 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 O-C-N 122.042 -0.411 . . . . 0.0 109.921 168.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -148.77 159.21 44.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 111.194 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -64.64 152.6 41.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.707 0.403 . . . . 0.0 110.046 169.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.37 -36.04 75.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.959 0.799 . . . . 0.0 112.316 -171.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.48 -28.67 67.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.95 -39.94 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.756 0.822 . . . . 0.0 110.456 174.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.81 -38.75 61.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.7 1.2 . . . . 0.0 111.817 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.12 -23.29 66.46 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.974 0.909 . . . . 0.0 113.018 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.75 -39.48 70.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.688 0.676 . . . . 0.0 110.63 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.575 HD12 ' N ' ' D' ' 51' ' ' ILE . 1.4 mp . . . . . 0 N--CA 1.455 -0.219 0 C-N-CA 125.917 1.687 . . . . 0.0 109.658 176.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.05 147.62 32.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.777 0.431 . . . . 0.0 111.368 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.84 117.58 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 170.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.98 160.44 18.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.009 1.323 . . . . 0.0 110.301 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.79 114.44 14.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 168.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.04 147.91 44.23 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.253 1.021 . . . . 0.0 110.025 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -94.46 168.8 10.64 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.941 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.89 139.84 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.003 0.43 . . . . 0.0 111.867 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -2.52 86.28 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 123.906 0.765 . . . . 0.0 113.979 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -91.75 174.61 7.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.651 1.225 . . . . 0.0 111.81 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 40.5 m -136.05 157.6 46.45 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -174.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mm -137.41 149.65 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 127.542 2.337 . . . . 0.0 107.753 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -130.35 152.99 49.16 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 119.62 1.1 . . . . 0.0 113.493 -174.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.89 139.21 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 125.12 1.368 . . . . 0.0 109.559 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.43 -141.02 47.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.6 6.93 11.67 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.961 0.904 . . . . 0.0 111.641 172.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -138.04 -6.98 1.61 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.53 132.36 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.779 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.1 m -126.47 141.06 52.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.039 0.936 . . . . 0.0 110.251 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -118.74 137.42 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.325 1.45 . . . . 0.0 108.404 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -132.18 127.95 36.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.235 0.614 . . . . 0.0 109.884 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.62 106.4 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.07 -31.71 61.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.063 -0.398 . . . . 0.0 110.395 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.18 -174.51 36.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -115.46 156.73 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.89 0.876 . . . . 0.0 112.013 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.53 90.0 1.97 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.194 1.398 . . . . 0.0 109.167 170.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -114.7 6.64 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 121.429 -0.794 . . . . 0.0 111.29 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -91.13 -20.49 21.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.931 0.865 . . . . 0.0 111.596 172.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -71.0 149.54 46.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.256 0.55 . . . . 0.0 110.664 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.82 117.22 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -173.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -80.7 116.43 20.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.587 0.755 . . . . 0.0 109.383 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -123.87 131.0 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.495 0.718 . . . . 0.0 110.134 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.37 142.66 15.81 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.45 1.024 . . . . 0.0 111.565 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.2 mt -133.44 125.66 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.827 1.251 . . . . 0.0 108.961 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.71 99.01 5.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 154.79 78.5 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.65 1.18 . . . . 0.0 110.695 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.49 158.3 41.78 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.985 2.457 . . . . 0.0 112.061 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -72.49 -1.05 14.37 Favored 'General case' 0 N--CA 1.457 -0.075 0 C-N-CA 123.393 0.677 . . . . 0.0 112.672 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.88 -22.48 65.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.654 1.182 . . . . 0.0 111.808 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.77 159.27 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.159 0.984 . . . . 0.0 110.655 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.75 158.51 15.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 128.63 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.081 0.553 . . . . 0.0 110.237 169.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -149.22 167.37 26.2 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.913 0.885 . . . . 0.0 110.533 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 -76.63 162.27 27.88 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 121.666 -0.646 . . . . 0.0 110.117 169.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.13 -28.61 68.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.64 -53.5 57.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.771 0.828 . . . . 0.0 111.508 170.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -78.04 -32.92 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.643 0.777 . . . . 0.0 109.734 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -52.44 -35.15 51.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.195 0.998 . . . . 0.0 112.567 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.5 -21.89 66.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.403 0.681 . . . . 0.0 112.593 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -71.52 -22.97 61.71 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.584 0.629 . . . . 0.0 110.746 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . 0.471 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -94.77 -22.99 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.968 1.307 . . . . 0.0 109.774 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 171.164 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.192 0.044 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -97.49 148.42 23.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 111.455 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.79 136.94 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.972 0.909 . . . . 0.0 109.075 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -134.01 160.64 37.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.744 1.218 . . . . 0.0 110.102 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.38 99.25 6.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 168.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.542 ' CD ' HD11 ' F' ' 12' ' ' ILE . 4.3 mmp_? -108.64 144.01 36.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.346 1.059 . . . . 0.0 111.127 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -102.61 168.28 9.38 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 m -56.36 135.04 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.286 -171.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.82 -8.49 70.77 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.321 0.962 . . . . 0.0 114.266 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -91.26 167.73 12.1 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.859 1.33 . . . . 0.0 112.319 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 63.4 m -133.21 152.65 51.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.423 0.689 . . . . 0.0 112.8 -170.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.542 HD11 ' CD ' ' F' ' 6' ' ' ARG . 43.4 mm -133.98 153.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 126.697 1.999 . . . . 0.0 108.481 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -130.6 148.7 52.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.553 -0.717 . . . . 0.0 112.288 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -135.82 144.06 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.564 1.146 . . . . 0.0 108.98 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -131.32 51.87 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -128.9 10.0 5.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.275 1.03 . . . . 0.0 111.374 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.36 -18.37 0.89 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.99 137.91 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 118.869 0.759 . . . . 0.0 110.413 -172.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -131.7 139.17 48.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.53 1.132 . . . . 0.0 110.183 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -121.67 144.57 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.015 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -140.07 126.75 20.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.994 0.518 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -77.18 118.04 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -88.64 -29.5 19.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.062 0.545 . . . . 0.0 111.026 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.02 -175.31 35.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 113.903 0.321 . . . . 0.0 113.903 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.67 153.69 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 123.448 0.699 . . . . 0.0 112.137 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -142.21 89.95 2.21 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.182 1.393 . . . . 0.0 109.171 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 -102.9 1.28 Allowed Glycine 0 CA--C 1.525 0.707 0 O-C-N 121.795 -0.565 . . . . 0.0 111.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -99.52 -18.48 17.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 117.565 0.683 . . . . 0.0 112.087 171.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -74.93 146.1 42.08 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.349 0.595 . . . . 0.0 110.397 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -139.48 112.4 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -89.55 125.42 35.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.566 0.747 . . . . 0.0 109.263 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -132.36 129.9 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.94 0.896 . . . . 0.0 110.411 -168.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.59 142.07 15.92 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.155 0.883 . . . . 0.0 111.062 171.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.0 mt -136.58 125.66 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.894 0.877 . . . . 0.0 109.256 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -134.09 107.86 7.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.37 0.668 . . . . 0.0 109.721 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.32 78.05 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 123.705 0.802 . . . . 0.0 111.312 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.87 160.62 40.15 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.801 2.334 . . . . 0.0 112.227 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -64.53 -11.52 35.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.57 -15.91 62.29 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.77 1.228 . . . . 0.0 112.507 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.54 166.26 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.885 0.874 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.07 157.3 17.85 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.076 0.55 . . . . 0.0 111.564 170.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.1 117.25 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.214 0.605 . . . . 0.0 110.428 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -153.49 174.56 14.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.633 0.773 . . . . 0.0 111.189 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -80.11 163.32 24.22 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.804 -0.56 . . . . 0.0 110.204 168.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -60.76 -21.33 62.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.82 -49.58 72.31 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.672 0.789 . . . . 0.0 110.688 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -77.97 -31.4 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.318 0.647 . . . . 0.0 110.004 -173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -56.11 -34.96 66.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.823 0.849 . . . . 0.0 112.494 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -71.58 -22.66 61.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.18 0.592 . . . . 0.0 112.55 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -75.04 -22.97 58.08 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.344 0.658 . . . . 0.0 111.103 172.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt . . . . . 0 N--CA 1.451 -0.378 0 C-N-CA 123.47 0.708 . . . . 0.0 110.27 -169.722 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.5 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.26 112.51 24.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.675 0.79 . . . . 0.0 109.848 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.29 137.66 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.663 0.785 . . . . 0.0 110.434 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 mt -132.06 153.88 49.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.195 0.998 . . . . 0.0 109.56 173.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -127.98 101.01 6.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 109.241 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 142.92 33.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.62 167.26 19.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.182 0.993 . . . . 0.0 112.856 -168.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.485 HG13 ' HA2' ' A' ' 24' ' ' GLY . 52.2 t -44.35 130.71 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.452 1.101 . . . . 0.0 110.241 167.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -11.73 70.79 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.5 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -79.52 172.38 13.87 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.456 1.628 . . . . 0.0 112.477 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -147.47 143.72 28.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.637 0.775 . . . . 0.0 111.955 -169.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.1 mm -113.57 153.44 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.952 1.301 . . . . 0.0 109.982 174.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -122.57 137.3 54.93 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.58 1.152 . . . . 0.0 109.817 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt -131.99 125.83 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.375 1.07 . . . . 0.0 109.478 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -128.29 28.84 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.68 1.45 7.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.801 0.841 . . . . 0.0 112.285 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -135.1 -25.61 1.36 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.72 134.94 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 119.071 0.85 . . . . 0.0 110.468 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -127.35 144.27 51.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 109.526 170.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -124.47 140.5 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.054 1.342 . . . . 0.0 107.981 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.8 m -138.34 132.39 31.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.341 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.9 tp -83.09 103.28 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 171.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.9 -29.05 63.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.979 -0.451 . . . . 0.0 109.786 -176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.05 -172.52 41.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 113.728 0.251 . . . . 0.0 113.728 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.81 145.26 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.81 0.844 . . . . 0.0 110.948 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 m -136.98 65.16 1.51 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.932 1.293 . . . . 0.0 109.693 -170.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.98 -122.19 12.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.97 -12.47 60.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.611 0.764 . . . . 0.0 111.812 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -99.0 157.72 16.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.823 0.821 . . . . 0.0 112.419 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.41 125.38 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.766 1.627 . . . . 0.0 108.274 -169.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -101.62 101.95 12.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.477 0.711 . . . . 0.0 110.127 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mt -108.61 131.35 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.139 1.376 . . . . 0.0 109.505 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.9 138.26 14.08 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 123.845 0.736 . . . . 0.0 111.484 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -112.11 130.4 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.288 1.435 . . . . 0.0 107.936 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.28 74.97 1.02 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.209 1.004 . . . . 0.0 109.363 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.96 152.85 40.39 Favored Pre-proline 0 N--CA 1.453 -0.312 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.708 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.15 155.43 56.67 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.532 2.155 . . . . 0.0 110.398 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -69.18 -1.08 6.97 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.88 -31.06 71.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.774 0.829 . . . . 0.0 111.358 168.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.98 144.02 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 121.839 0.828 . . . . 0.0 111.343 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.0 32.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.818 0.847 . . . . 0.0 110.721 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.52 127.51 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.548 0.339 . . . . 0.0 110.345 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CD2' HD11 ' A' ' 51' ' ' ILE . 95.6 m-70 -151.11 -176.97 5.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.385 1.074 . . . . 0.0 109.971 -172.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -123.96 167.8 13.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 169.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.564 -173.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.97 -25.47 61.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.869 1.268 . . . . 0.0 112.981 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -117.63 -24.46 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 125.017 1.327 . . . . 0.0 111.168 -172.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -63.82 -30.58 71.66 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.487 0.715 . . . . 0.0 110.184 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.07 -13.28 60.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.667 0.787 . . . . 0.0 111.753 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.54 -34.65 35.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.342 1.057 . . . . 0.0 110.669 169.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.6 HG22 HE21 ' A' ' 52' ' ' GLN . 26.7 mt -62.95 -54.01 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.928 0.891 . . . . 0.0 108.61 172.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.6 HE21 HG22 ' A' ' 51' ' ' ILE . 79.8 mm-40 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 123.855 0.862 . . . . 0.0 112.758 -175.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.33 123.1 49.32 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 168.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -118.82 139.59 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -165.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -134.56 138.74 44.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.974 1.31 . . . . 0.0 110.548 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -115.42 103.76 11.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -129.11 157.96 40.3 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.97 0.908 . . . . 0.0 110.955 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -92.33 170.2 9.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.0 112.575 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -63.37 135.19 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.428 0.632 . . . . 0.0 111.056 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.18 -2.25 78.48 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 114.272 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.61 155.44 23.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.848 1.324 . . . . 0.0 112.087 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -123.45 146.02 48.36 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.307 1.043 . . . . 0.0 111.226 -173.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.3 mt -136.3 151.75 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.243 1.417 . . . . 0.0 109.258 -170.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -135.51 142.24 45.41 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -169.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -134.1 127.7 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.627 1.171 . . . . 0.0 109.509 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -136.72 50.52 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -119.66 -4.14 10.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.613 0.765 . . . . 0.0 112.382 172.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -107.18 -20.99 13.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.463 0.705 . . . . 0.0 112.795 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.21 134.54 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.853 0.752 . . . . 0.0 111.209 -169.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -129.65 148.41 51.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.789 1.236 . . . . 0.0 109.652 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -125.53 144.58 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.076 1.75 . . . . 0.0 107.76 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -136.06 127.18 27.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.793 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.4 tp -79.2 105.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 170.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.51 -31.96 63.99 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.754 -0.591 . . . . 0.0 110.94 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.59 157.72 8.56 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-O 121.324 0.402 . . . . 0.0 112.574 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.68 144.69 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.7 t -130.08 73.99 1.56 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.33 -135.36 13.25 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.493 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.63 13.03 23.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.252 0.621 . . . . 0.0 110.197 167.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -98.8 143.35 29.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.89 117.38 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.998 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.37 117.56 24.37 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.826 1.25 . . . . 0.0 109.088 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.793 HG22 ' HA ' ' B' ' 22' ' ' ILE . 6.7 pt -136.9 144.87 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.483 0.713 . . . . 0.0 111.319 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.27 144.66 15.86 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 124.034 0.826 . . . . 0.0 111.902 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.36 132.14 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.093 0.957 . . . . 0.0 108.667 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -130.69 83.11 2.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.404 -167.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.64 156.01 80.68 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.857 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -57.43 154.41 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 121.506 1.471 . . . . 0.0 110.672 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 mmtm -71.15 -0.71 10.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.918 -0.489 . . . . 0.0 112.011 171.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.94 -25.16 67.0 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.969 1.308 . . . . 0.0 112.18 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -108.16 144.06 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.809 0.844 . . . . 0.0 110.376 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 142.52 27.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 111.526 171.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.22 97.97 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.608 -166.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.09 160.72 42.08 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.632 0.773 . . . . 0.0 111.372 178.139 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -62.39 153.23 31.82 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.073 0.549 . . . . 0.0 111.567 169.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -54.24 -36.19 63.28 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 123.823 0.849 . . . . 0.0 112.408 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -51.22 63.61 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.636 0.653 . . . . 0.0 111.401 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -69.47 -44.23 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 110.773 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -51.43 -37.99 51.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.089 0.956 . . . . 0.0 112.086 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.1 mpt_? -79.68 -38.18 34.13 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.068 0.849 . . . . 0.0 110.295 173.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.518 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.0 mt -64.41 -41.95 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.518 ' NE2' HG22 ' B' ' 51' ' ' ILE . 33.6 mm-40 -78.93 4.98 12.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 173.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.04 -18.26 53.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.938 -0.476 . . . . 0.0 111.442 168.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.1 45.53 0.09 OUTLIER Glycine 0 CA--C 1.524 0.647 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.284 168.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.82 -175.7 2.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.044 0.922 . . . . 0.0 112.952 -168.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -126.07 178.35 5.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.464 1.505 . . . . 0.0 109.351 167.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -39.51 117.18 1.15 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 124.333 1.053 . . . . 0.0 111.271 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.0 Cg_exo -66.86 167.16 20.29 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.526 1.484 . . . . 0.0 114.754 -168.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.445 171.079 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 13.7 tpp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 105.72 10.88 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.169 1.788 . . . . 0.0 106.213 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.69 133.03 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 123.373 0.669 . . . . 0.0 109.474 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.2 134.98 48.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.315 1.046 . . . . 0.0 109.19 169.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -91.17 151.08 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.08 131.75 18.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.28 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.494 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.6 tptm -77.57 153.6 33.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 170.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -58.95 135.87 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.005 0.431 . . . . 0.0 111.988 -175.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.39 -1.98 80.18 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.602 1.096 . . . . 0.0 114.16 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.75 164.15 11.99 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.021 1.411 . . . . 0.0 111.746 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -120.88 161.05 22.2 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -167.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -137.04 160.48 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.692 2.397 . . . . 0.0 108.026 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.96 150.91 52.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.035 -1.041 . . . . 0.0 112.068 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.6 mt -132.58 133.17 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.47 1.108 . . . . 0.0 108.979 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.93 -142.01 44.49 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.614 0.626 . . . . 0.0 112.048 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -114.88 0.51 13.78 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.598 1.159 . . . . 0.0 111.321 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -122.38 -12.07 8.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.12 134.62 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.845 0.748 . . . . 0.0 110.869 -173.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 33.4 m -120.92 146.8 46.25 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.381 1.072 . . . . 0.0 109.806 170.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -125.94 141.73 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.483 1.513 . . . . 0.0 108.08 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -132.45 135.06 45.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 170.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.417 HD12 ' HA ' ' C' ' 22' ' ' ILE . 5.8 tp -90.13 111.41 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 169.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.32 -46.49 10.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.859 -0.526 . . . . 0.0 111.136 -167.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.4 -178.04 46.36 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.822 169.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.3 154.51 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 CA-C-O 121.563 0.697 . . . . 0.0 112.223 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.25 110.37 5.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.958 2.103 . . . . 0.0 107.283 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.05 -117.21 7.85 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 119.362 0.983 . . . . 0.0 110.851 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -98.19 -9.26 25.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -86.33 145.68 26.81 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.004 0.907 . . . . 0.0 111.637 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -130.11 116.45 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 114.302 -1.317 . . . . 0.0 107.6 -168.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -76.67 114.12 15.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.99 136.58 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.884 1.674 . . . . 0.0 109.656 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 138.59 15.0 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.291 0.948 . . . . 0.0 112.037 172.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -127.46 124.22 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.772 1.229 . . . . 0.0 108.931 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.02 100.17 7.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.386 0.674 . . . . 0.0 109.834 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.29 156.2 71.98 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.384 1.073 . . . . 0.0 110.191 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.61 151.89 82.92 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.767 2.311 . . . . 0.0 111.212 171.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.31 -0.88 2.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.387 0.675 . . . . 0.0 112.715 172.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.99 -24.21 66.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.402 1.081 . . . . 0.0 111.516 169.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.09 146.46 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.082 0.953 . . . . 0.0 110.308 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 153.53 22.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.69 0.396 . . . . 0.0 111.206 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -138.01 131.18 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.017 0.527 . . . . 0.0 109.624 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -155.26 162.53 40.87 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.105 0.562 . . . . 0.0 112.179 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -79.03 159.57 27.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 166.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.06 -31.85 69.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.68 -45.96 88.31 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 111.652 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 mm -87.51 -30.4 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.151 0.58 . . . . 0.0 110.525 -172.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -51.78 -36.98 49.58 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.653 0.781 . . . . 0.0 112.238 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -60.07 -31.42 69.98 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.641 0.776 . . . . 0.0 112.321 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -69.97 -36.53 75.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.259 0.624 . . . . 0.0 111.682 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp . . . . . 0 N--CA 1.454 -0.258 0 O-C-N 121.975 -0.453 . . . . 0.0 110.152 178.304 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.544 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -107.58 116.0 31.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.316 1.446 . . . . 0.0 109.375 172.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.544 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -109.12 141.46 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 125.158 1.383 . . . . 0.0 109.8 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.94 160.39 35.98 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.8 0.84 . . . . 0.0 111.525 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p -87.56 150.85 23.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.415 0.626 . . . . 0.0 112.143 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -145.9 130.96 18.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.123 1.369 . . . . 0.0 108.206 169.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . 0.25 18.4 ptpt -99.14 162.72 12.9 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 120.161 1.346 . . . . 0.0 112.714 171.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 m -53.75 137.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.494 -167.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -5.58 76.67 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.35 0.976 . . . . 0.0 114.016 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -95.72 177.16 5.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.799 1.3 . . . . 0.0 112.27 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -135.15 157.75 46.11 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.5 mt -141.38 159.68 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 127.324 2.25 . . . . 0.0 108.423 -176.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -137.84 149.18 46.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.784 0.833 . . . . 0.0 112.151 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.19 137.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.809 1.244 . . . . 0.0 109.195 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.22 -137.55 49.85 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -120.14 4.31 10.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 112.019 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.29 -8.11 4.25 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.15 137.73 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.757 0.708 . . . . 0.0 110.68 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.4 m -126.64 145.06 50.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.496 1.118 . . . . 0.0 109.774 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -124.61 140.23 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 125.453 1.501 . . . . 0.0 107.993 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -132.55 129.55 39.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -87.54 94.56 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.0 -31.75 69.58 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.343 0.657 . . . . 0.0 110.945 -170.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.83 -176.84 41.79 Favored Glycine 0 CA--C 1.524 0.625 0 CA-C-O 120.752 0.084 . . . . 0.0 112.973 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -114.81 159.19 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.585 0.754 . . . . 0.0 109.81 167.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -142.78 79.14 1.64 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 169.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.07 -112.97 3.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -173.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.494 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.18 -5.66 43.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.499 0.72 . . . . 0.0 110.635 174.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -75.01 152.78 38.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.721 0.772 . . . . 0.0 111.353 169.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -128.58 119.31 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -89.9 113.42 25.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -120.64 127.4 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.608 0.763 . . . . 0.0 109.789 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.1 137.92 13.78 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' C' ' 1' ' ' MET . 4.7 mp -125.18 138.67 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -137.71 98.72 3.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.01 155.84 76.03 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.533 1.133 . . . . 0.0 109.751 -174.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.89 151.74 79.22 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.161 1.907 . . . . 0.0 110.51 169.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.66 -0.98 2.36 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.251 0.62 . . . . 0.0 112.35 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.88 -23.76 66.72 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.889 1.276 . . . . 0.0 111.119 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.61 160.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.658 1.183 . . . . 0.0 110.772 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.58 156.99 16.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.438 0.695 . . . . 0.0 112.206 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -149.89 121.91 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 122.805 0.442 . . . . 0.0 109.83 167.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -149.59 166.02 30.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.437 0.695 . . . . 0.0 111.402 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -60.69 156.91 15.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 167.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -60.43 -34.48 74.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.295 0.952 . . . . 0.0 110.702 173.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.66 -47.65 70.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.489 1.116 . . . . 0.0 112.177 169.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -84.9 -28.81 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.334 0.654 . . . . 0.0 111.674 -173.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -52.37 -40.51 62.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.382 0.673 . . . . 0.0 110.788 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.09 -20.96 66.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.214 1.006 . . . . 0.0 113.219 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -72.37 -52.56 15.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.467 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.4 mp . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.27 123.09 18.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.473 1.109 . . . . 0.0 108.912 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.98 139.91 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 124.041 0.936 . . . . 0.0 109.753 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 49.2 mt -136.84 165.05 26.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.424 1.49 . . . . 0.0 111.109 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 106.4 8.35 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 167.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.1 129.8 56.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.635 1.574 . . . . 0.0 110.194 -173.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -93.73 165.12 12.86 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.769 1.168 . . . . 0.0 112.713 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.05 139.18 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.427 -169.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -3.92 86.57 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 124.002 0.811 . . . . 0.0 114.189 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -94.35 175.2 6.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.641 1.22 . . . . 0.0 111.188 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 33.9 m -135.69 155.77 49.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -169.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -133.83 154.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.947 2.099 . . . . 0.0 108.095 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -129.03 149.37 50.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.538 -0.726 . . . . 0.0 112.149 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.73 134.85 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.79 1.236 . . . . 0.0 109.551 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.38 51.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -129.98 10.01 5.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.65 0.78 . . . . 0.0 112.678 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -126.34 -11.72 6.29 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.97 131.32 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.242 0.928 . . . . 0.0 110.912 -170.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -122.61 142.53 50.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.239 1.016 . . . . 0.0 109.611 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm -120.93 137.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.313 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -131.3 126.08 34.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.398 0.679 . . . . 0.0 109.726 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.8 101.65 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.19 -30.43 67.54 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.18 -0.325 . . . . 0.0 110.761 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.12 -176.75 32.68 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 123.304 0.478 . . . . 0.0 113.603 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 m -108.65 160.71 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.893 0.877 . . . . 0.0 111.745 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -150.01 89.89 1.64 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.858 1.263 . . . . 0.0 109.11 169.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.14 -106.04 1.6 Allowed Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.806 -0.559 . . . . 0.0 111.797 -176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -97.23 -19.65 18.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 117.672 0.736 . . . . 0.0 111.736 171.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -71.67 148.04 46.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.423 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.7 114.37 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -91.1 121.16 32.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.02 128.92 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.324 -168.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.64 133.25 11.7 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 169.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.04 116.77 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.737 1.215 . . . . 0.0 107.925 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -118.18 98.89 6.53 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -169.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.4 153.15 72.54 Favored Pre-proline 0 N--CA 1.449 -0.496 0 C-N-CA 124.386 1.074 . . . . 0.0 109.557 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.24 150.15 76.06 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 122.012 1.808 . . . . 0.0 111.112 171.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -4.28 8.32 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 124.172 0.989 . . . . 0.0 113.277 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.89 -28.23 69.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.792 1.637 . . . . 0.0 111.799 171.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -113.68 161.48 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.406 1.083 . . . . 0.0 109.412 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.43 153.58 17.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -154.97 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.235 0.614 . . . . 0.0 110.474 168.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -151.21 165.78 32.89 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.282 1.033 . . . . 0.0 109.949 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -74.82 162.6 28.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.828 -0.545 . . . . 0.0 109.99 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -62.08 -24.54 67.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.809 0.444 . . . . 0.0 112.164 -170.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.04 -50.44 73.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 112.009 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.27 -33.43 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.704 0.802 . . . . 0.0 110.083 -172.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 74.2 t80 -54.56 -37.06 65.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.074 0.95 . . . . 0.0 112.412 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -65.91 -28.47 68.96 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.206 0.603 . . . . 0.0 112.364 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.22 -22.96 60.33 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.41 0.684 . . . . 0.0 110.829 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -95.44 -41.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.675 1.19 . . . . 0.0 110.037 -172.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 56.5 mm-40 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 123.599 0.76 . . . . 0.0 112.678 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.244 0.068 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -107.22 140.95 39.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.889 0.475 . . . . 0.0 110.534 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.0 121.22 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -115.8 150.75 36.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.327 1.451 . . . . 0.0 109.47 -178.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 114.44 21.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.39 126.5 45.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.882 1.273 . . . . 0.0 109.991 -169.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.83 165.7 12.78 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 119.505 1.048 . . . . 0.0 112.431 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 m -58.98 135.03 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.623 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.32 76.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.347 0.975 . . . . 0.0 114.23 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -96.83 172.04 8.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.726 1.263 . . . . 0.0 111.561 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -136.02 159.46 41.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -169.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.0 mt -137.23 157.03 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.64 1.976 . . . . 0.0 108.113 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -129.76 149.63 51.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.444 -0.785 . . . . 0.0 112.182 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -133.86 138.79 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.549 1.139 . . . . 0.0 108.991 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.26 -135.96 51.39 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.39 10.07 7.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.186 0.994 . . . . 0.0 112.325 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -131.2 -20.46 2.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.48 137.07 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.134 0.879 . . . . 0.0 110.855 -171.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -126.82 142.87 51.43 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.418 1.087 . . . . 0.0 110.257 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -119.7 140.49 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.7 1.6 . . . . 0.0 108.157 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -135.72 128.8 31.6 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.256 0.622 . . . . 0.0 109.885 176.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.28 109.13 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -81.16 -27.89 35.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.156 0.582 . . . . 0.0 111.186 -172.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.61 -173.59 34.36 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.193 0.425 . . . . 0.0 113.47 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.24 158.45 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 123.541 0.737 . . . . 0.0 111.96 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -150.05 91.35 1.77 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.681 1.193 . . . . 0.0 109.105 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -111.45 3.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.51 -21.04 20.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.434 0.617 . . . . 0.0 111.812 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.53 142.38 44.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.067 0.547 . . . . 0.0 110.175 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -133.92 115.35 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -85.46 127.0 34.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.69 139.3 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.652 0.781 . . . . 0.0 109.966 -169.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 139.71 15.67 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.64 141.07 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.364 1.066 . . . . 0.0 109.469 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -130.22 107.92 9.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.245 1.018 . . . . 0.0 109.072 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.1 158.14 74.34 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.085 0.954 . . . . 0.0 111.256 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -65.19 162.53 32.72 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.966 2.444 . . . . 0.0 112.197 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.58 -5.01 30.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.41 0.684 . . . . 0.0 112.608 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.68 -20.16 64.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.636 1.175 . . . . 0.0 112.431 171.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -128.42 164.98 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 123.93 0.892 . . . . 0.0 111.271 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.05 162.35 13.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.873 0.869 . . . . 0.0 111.235 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.64 125.26 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.19 0.596 . . . . 0.0 110.541 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -153.03 173.19 15.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.014 0.926 . . . . 0.0 110.634 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -74.36 162.31 29.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 168.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.31 -21.78 62.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.62 -44.35 94.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -86.42 -29.86 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 123.252 0.621 . . . . 0.0 109.669 -172.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . 0.489 ' HA ' HG12 ' F' ' 51' ' ' ILE . 73.9 t80 -53.61 -34.31 58.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.835 0.854 . . . . 0.0 112.643 175.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -67.96 -22.0 65.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.427 0.691 . . . . 0.0 112.361 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -85.11 -22.97 28.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.442 0.697 . . . . 0.0 111.329 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.489 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.4 mm . . . . . 0 N--CA 1.455 -0.197 0 C-N-CA 123.73 0.812 . . . . 0.0 109.221 170.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 113.16 24.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.599 0.76 . . . . 0.0 108.997 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.38 121.15 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.54 158.06 23.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.932 0.893 . . . . 0.0 109.452 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 m -125.02 100.9 6.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.66 137.41 53.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.861 0.864 . . . . 0.0 110.729 -167.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -99.08 160.87 13.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.358 0.663 . . . . 0.0 110.176 -172.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 25' ' ' VAL . 27.3 m -64.32 138.17 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 121.492 -0.755 . . . . 0.0 111.64 -173.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.21 -7.87 78.01 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.472 1.034 . . . . 0.0 114.681 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -85.83 166.95 15.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 119.433 1.617 . . . . 0.0 112.672 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -132.91 140.09 47.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.924 0.89 . . . . 0.0 111.584 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 23.4 mm -114.8 151.22 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 125.367 1.467 . . . . 0.0 108.881 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -124.55 136.58 54.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.932 0.893 . . . . 0.0 110.149 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -130.87 130.84 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.1 0.96 . . . . 0.0 109.806 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 -127.46 27.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -127.29 -2.19 6.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.941 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.65 -3.15 0.81 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -168.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.05 134.01 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 119.484 1.038 . . . . 0.0 110.638 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 146.25 51.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.773 0.829 . . . . 0.0 109.635 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -130.49 127.37 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.402 1.081 . . . . 0.0 108.562 -172.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -127.45 130.33 49.08 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.916 0.78 . . . . 0.0 111.004 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 22' ' ' ILE . 3.9 tp -83.72 111.17 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -32.35 59.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.33 -170.93 31.6 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 115.234 0.853 . . . . 0.0 115.234 165.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.674 HG13 HG11 ' A' ' 8' ' ' VAL . 21.7 m -88.0 157.16 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 C-N-CA 123.929 0.892 . . . . 0.0 112.333 -169.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -142.04 60.92 1.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.136 1.374 . . . . 0.0 109.448 169.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.94 -122.52 16.52 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -172.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -79.9 -0.86 36.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.164 0.586 . . . . 0.0 112.123 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -98.86 159.91 14.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.057 0.932 . . . . 0.0 110.906 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -140.24 125.35 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 126.109 1.764 . . . . 0.0 107.757 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -107.8 101.98 11.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.644 0.378 . . . . 0.0 110.424 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -114.15 137.19 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 125.16 1.384 . . . . 0.0 110.271 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.23 138.85 14.19 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.349 0.976 . . . . 0.0 111.622 169.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.71 134.48 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.269 1.427 . . . . 0.0 108.269 172.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -120.02 75.55 1.1 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.704 1.202 . . . . 0.0 109.259 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.76 153.03 45.22 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 114.242 -1.345 . . . . 0.0 110.474 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.35 153.92 56.03 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.57 2.18 . . . . 0.0 110.531 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.32 -5.13 17.04 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -68.77 -26.13 65.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.007 0.923 . . . . 0.0 112.198 169.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.16 144.1 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 122.044 0.926 . . . . 0.0 111.984 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.93 143.08 31.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.365 1.066 . . . . 0.0 111.454 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 t -129.53 117.46 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.814 0.845 . . . . 0.0 109.532 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -151.38 156.19 40.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.365 0.666 . . . . 0.0 111.614 -175.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 160.14 31.19 Favored 'General case' 0 C--O 1.227 -0.096 0 O-C-N 121.974 -0.453 . . . . 0.0 110.347 171.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.92 -27.73 68.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.792 -0.568 . . . . 0.0 111.991 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.38 -1.86 35.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.78 -30.15 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.214 1.005 . . . . 0.0 111.219 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.95 -31.6 72.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.142 -0.974 . . . . 0.0 110.414 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -75.44 -12.15 60.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.851 0.46 . . . . 0.0 111.833 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -33.61 33.62 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.032 0.933 . . . . 0.0 110.69 169.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.668 HG22 HE21 ' A' ' 52' ' ' GLN . 43.0 mt -65.19 -52.44 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.868 0.867 . . . . 0.0 108.925 171.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.668 HE21 HG22 ' A' ' 51' ' ' ILE . 66.6 mm-40 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 123.553 0.741 . . . . 0.0 112.304 -175.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -101.27 117.53 35.17 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.9 mt -114.89 138.04 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.106 0.479 . . . . 0.0 111.622 -167.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.71 140.17 50.33 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.73 1.212 . . . . 0.0 110.086 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -105.78 100.98 10.52 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.52 151.62 33.03 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.239 1.015 . . . . 0.0 111.077 -170.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -91.0 164.29 14.02 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.904 0.383 . . . . 0.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 m -58.79 130.5 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.958 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.46 -3.43 57.86 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 118.646 -1.086 . . . . 0.0 115.53 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.57 158.25 34.05 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.987 1.894 . . . . 0.0 111.548 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -126.3 147.96 49.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.62 0.768 . . . . 0.0 111.131 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mm -133.91 150.09 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 125.986 1.714 . . . . 0.0 108.732 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -124.59 138.77 54.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.601 1.161 . . . . 0.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -129.06 130.04 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.774 0.829 . . . . 0.0 109.567 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.2 -133.49 52.36 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -174.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.59 5.01 6.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.748 0.819 . . . . 0.0 112.816 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.09 -18.2 10.11 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.26 136.68 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 119.258 0.935 . . . . 0.0 111.569 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -133.08 145.63 50.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.879 1.272 . . . . 0.0 109.962 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 mm -129.94 139.41 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 125.054 1.342 . . . . 0.0 109.162 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.35 128.42 37.61 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.5 0.72 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -85.11 106.07 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.87 -32.07 51.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.199 -0.313 . . . . 0.0 110.544 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 177.55 32.83 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.95 141.36 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.102 0.477 . . . . 0.0 110.328 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -114.92 72.56 0.79 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.667 1.187 . . . . 0.0 107.915 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -117.03 4.55 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.477 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.96 8.9 42.43 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.174 -0.604 . . . . 0.0 111.029 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.96 155.44 17.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.122 0.969 . . . . 0.0 110.126 170.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 t -136.55 113.56 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -170.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.69 117.42 25.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 0.0 109.598 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.51 127.26 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.924 0.89 . . . . 0.0 110.343 -169.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.34 137.04 14.13 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -125.21 128.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -129.21 84.68 2.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.326 -167.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.17 154.83 78.78 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.019 -1.446 . . . . 0.0 109.524 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -58.79 151.86 61.22 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.516 1.477 . . . . 0.0 109.264 168.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -70.47 -0.87 9.23 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 122.089 0.947 . . . . 0.0 111.79 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.79 -21.74 66.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.962 1.705 . . . . 0.0 110.984 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 m -124.92 144.08 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.128 1.371 . . . . 0.0 109.513 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.6 143.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.99 116.88 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 124.269 1.028 . . . . 0.0 109.712 169.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -147.26 164.8 32.05 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 124.854 1.262 . . . . 0.0 110.395 169.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.85 156.11 37.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 122.281 -0.262 . . . . 0.0 110.803 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.31 -39.1 66.68 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.396 0.678 . . . . 0.0 111.956 -175.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -50.09 -45.63 52.81 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.771 0.428 . . . . 0.0 110.959 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 mm -77.22 -48.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 125.527 1.531 . . . . 0.0 110.2 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -51.43 -35.55 39.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.301 1.041 . . . . 0.0 111.629 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.33 -22.59 62.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -176.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -81.9 -38.81 24.75 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.283 0.947 . . . . 0.0 110.451 169.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.527 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.4 mt -63.78 -40.92 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.527 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.9 mm-40 -80.26 5.02 15.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.53 -19.76 45.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.087 0.555 . . . . 0.0 111.385 168.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 47.04 0.08 OUTLIER Glycine 0 C--N 1.338 0.69 0 CA-C-O 119.418 -0.657 . . . . 0.0 114.447 168.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.06 -176.53 2.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.998 0.899 . . . . 0.0 112.865 -168.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.0 p -126.42 -177.6 4.04 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.536 1.535 . . . . 0.0 109.387 168.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -42.78 121.46 2.83 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.13 0.972 . . . . 0.0 111.503 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 51.0 Cg_exo -66.5 173.59 7.51 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.916 1.744 . . . . 0.0 114.899 -169.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 125.481 1.513 . . . . 0.0 112.984 -178.116 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpp . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.495 -0.288 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.77 105.63 14.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 167.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.32 134.93 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.093 0.957 . . . . 0.0 109.536 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -126.66 134.9 50.62 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.566 0.746 . . . . 0.0 109.225 168.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.1 p -93.74 143.35 26.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 169.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.446 ' NH1' HD12 ' C' ' 12' ' ' ILE . 1.4 mtp-105 -146.09 163.97 33.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 173.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' D' ' 28' ' ' GLN . 13.0 mmmm -98.58 161.22 13.78 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.141 0.577 . . . . 0.0 109.701 172.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.72 134.27 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 120.901 0.381 . . . . 0.0 111.362 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.21 -6.8 72.34 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.81 1.195 . . . . 0.0 114.388 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . 0.437 ' C ' ' HE ' ' C' ' 6' ' ' ARG . 47.3 mm-40 -90.38 174.06 7.77 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.077 1.439 . . . . 0.0 112.34 -174.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -132.83 154.21 50.53 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.446 HD12 ' NH1' ' C' ' 6' ' ' ARG . 29.9 mt -135.42 160.19 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 127.461 2.304 . . . . 0.0 108.702 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -128.29 147.1 50.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.254 1.021 . . . . 0.0 111.97 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -134.32 142.67 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.84 1.256 . . . . 0.0 109.131 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.01 -137.52 40.36 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -123.63 10.08 9.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.768 0.827 . . . . 0.0 110.939 169.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.51 -8.35 4.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.676 1.19 . . . . 0.0 112.968 -169.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.62 136.85 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.568 0.747 . . . . 0.0 110.624 -174.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -122.3 143.51 49.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -121.83 136.92 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.999 1.32 . . . . 0.0 108.311 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -128.52 134.25 48.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.013 0.525 . . . . 0.0 109.594 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' C' ' 22' ' ' ILE . 9.1 tp -99.21 113.18 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.52 -42.85 12.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.14 -166.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.47 174.09 40.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.278 -0.963 . . . . 0.0 114.341 168.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.96 144.24 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.39 0.676 . . . . 0.0 110.35 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -140.94 100.21 3.77 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -140.03 25.24 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.397 -169.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.59 1.76 44.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.124 0.97 . . . . 0.0 110.933 168.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 145.4 26.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.703 1.201 . . . . 0.0 110.169 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -134.97 120.01 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -80.29 115.43 19.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -112.78 139.41 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 126.011 1.724 . . . . 0.0 109.267 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 139.13 15.12 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.178 0.894 . . . . 0.0 111.765 172.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -125.29 123.79 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.207 1.003 . . . . 0.0 108.91 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -117.26 100.85 7.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.165 0.586 . . . . 0.0 110.051 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 154.23 62.72 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.243 1.017 . . . . 0.0 110.027 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.09 152.05 78.01 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.781 2.321 . . . . 0.0 111.121 172.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -65.15 -0.87 1.86 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.374 0.67 . . . . 0.0 112.663 172.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.97 -23.49 66.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.464 1.106 . . . . 0.0 111.443 169.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -121.55 147.07 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.107 0.963 . . . . 0.0 110.366 174.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 154.78 21.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.774 0.429 . . . . 0.0 111.265 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.97 130.13 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 122.956 0.502 . . . . 0.0 109.741 169.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -156.7 158.15 36.43 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.246 0.475 . . . . 0.0 112.155 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -74.44 158.03 34.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 165.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.85 -32.28 73.74 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.37 -20.57 63.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mm -95.74 -34.57 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.507 0.723 . . . . 0.0 110.753 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -51.73 -36.46 47.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.79 0.836 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -59.46 -28.9 67.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.701 0.8 . . . . 0.0 112.471 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -70.52 -37.35 74.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.348 0.659 . . . . 0.0 111.787 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 177.958 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.507 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.0 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.06 111.95 21.87 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.545 1.538 . . . . 0.0 107.845 168.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -101.79 140.05 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.982 1.313 . . . . 0.0 109.573 -178.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -155.17 158.54 39.1 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.919 0.888 . . . . 0.0 110.406 169.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -90.46 148.0 23.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.106 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.403 ' HG3' HD11 ' D' ' 12' ' ' ILE . 4.4 mmp_? -139.04 145.34 39.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.648 0.779 . . . . 0.0 109.016 166.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -80.08 158.89 26.31 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.042 0.449 . . . . 0.0 110.163 171.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.42 138.32 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.457 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.37 -3.42 83.89 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.168 0.89 . . . . 0.0 113.956 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -88.98 169.2 11.73 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 1.254 . . . . 0.0 112.03 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -130.24 156.79 44.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.949 0.9 . . . . 0.0 112.151 -172.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' D' ' 6' ' ' ARG . 56.7 mt -146.62 160.57 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.657 1.983 . . . . 0.0 108.687 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -134.11 150.61 51.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.298 1.039 . . . . 0.0 112.255 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -135.14 135.27 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.115 1.366 . . . . 0.0 109.267 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 -133.61 48.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 9.97 5.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 112.325 171.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -127.85 -17.02 4.55 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.39 130.96 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.993 0.815 . . . . 0.0 110.489 -171.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -115.43 145.41 42.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.797 0.839 . . . . 0.0 109.876 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -129.2 140.44 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.955 1.302 . . . . 0.0 108.268 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -137.37 130.88 31.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -86.61 103.91 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.3 mt -78.16 -30.46 49.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.315 0.646 . . . . 0.0 110.584 -172.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.64 -173.62 40.58 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-O 120.805 0.114 . . . . 0.0 112.966 170.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.98 159.42 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.921 0.888 . . . . 0.0 110.398 168.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -141.76 77.08 1.57 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 169.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.97 -114.48 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.429 ' HB3' ' HE2' ' C' ' 7' ' ' LYS . 3.1 mp0 -88.43 -6.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.512 0.725 . . . . 0.0 110.005 172.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -74.72 149.28 39.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.136 0.493 . . . . 0.0 112.167 173.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 31.2 t -129.21 119.12 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -94.89 112.04 23.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.652 1.181 . . . . 0.0 108.386 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.41 128.2 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.379 0.672 . . . . 0.0 110.202 -168.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.37 135.55 12.77 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.81 140.54 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.985 0.914 . . . . 0.0 108.811 171.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -137.97 90.01 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.339 0.656 . . . . 0.0 109.509 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.4 155.34 54.06 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 124.393 1.077 . . . . 0.0 110.02 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.89 150.84 87.18 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.185 1.923 . . . . 0.0 110.466 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -68.86 -1.42 7.19 Favored 'General case' 0 CA--C 1.526 0.025 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.55 -20.94 66.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.581 1.152 . . . . 0.0 111.587 168.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -128.12 160.01 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.261 1.024 . . . . 0.0 110.863 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.13 157.04 16.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.547 0.739 . . . . 0.0 112.675 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.23 124.67 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.869 -0.52 . . . . 0.0 109.613 168.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -149.0 160.63 43.13 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 111.87 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -65.66 154.15 39.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 168.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.35 -35.22 71.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.417 0.553 . . . . 0.0 112.292 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.46 -55.95 28.22 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.255 0.622 . . . . 0.0 110.94 170.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -64.15 -42.71 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 124.02 0.928 . . . . 0.0 109.993 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -49.4 -42.72 43.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.52 1.528 . . . . 0.0 112.241 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.19 -20.93 63.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.9 -50.93 12.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.98 0.809 . . . . 0.0 109.572 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.628 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.8 mp . . . . . 0 N--CA 1.455 -0.207 0 C-N-CA 125.137 1.375 . . . . 0.0 111.965 178.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.37 119.85 30.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.984 0.913 . . . . 0.0 109.634 -173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.92 136.22 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.001 0.92 . . . . 0.0 109.737 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -132.46 163.41 28.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.765 1.626 . . . . 0.0 110.485 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -133.65 98.63 4.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 167.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.447 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.1 mmp_? -104.94 154.81 19.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.684 1.193 . . . . 0.0 109.673 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -110.2 171.59 7.36 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.05 0.841 . . . . 0.0 113.166 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.09 128.31 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.942 -169.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.94 67.98 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.245 0.926 . . . . 0.0 113.86 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -91.55 168.76 11.28 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.443 1.121 . . . . 0.0 111.077 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -132.13 159.51 38.72 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -168.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . 0.447 HD11 ' HG3' ' E' ' 6' ' ' ARG . 24.0 mt -143.85 156.86 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 126.739 2.016 . . . . 0.0 107.682 -175.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -137.95 149.33 46.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.564 -0.71 . . . . 0.0 112.831 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -136.62 138.65 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.905 1.282 . . . . 0.0 109.027 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.6 -134.91 49.75 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.98 10.03 6.93 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.264 1.026 . . . . 0.0 111.675 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.1 -7.72 1.36 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.56 134.19 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.79 0.723 . . . . 0.0 110.492 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -126.88 143.77 51.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.47 1.108 . . . . 0.0 110.03 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.87 138.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.057 1.343 . . . . 0.0 108.083 173.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -132.03 126.39 33.79 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.38 0.672 . . . . 0.0 109.204 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.8 108.34 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -72.77 -41.73 64.74 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.301 -0.874 . . . . 0.0 110.895 -169.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.82 178.78 36.93 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 123.413 0.53 . . . . 0.0 113.076 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -106.77 158.89 6.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.364 0.666 . . . . 0.0 112.267 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.12 90.88 1.79 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.854 1.262 . . . . 0.0 109.361 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.07 -113.46 5.41 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -93.94 -20.37 20.06 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 117.252 0.526 . . . . 0.0 111.749 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.28 139.0 49.83 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.238 0.542 . . . . 0.0 109.677 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 114.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -83.43 125.79 32.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.6 130.95 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.418 0.687 . . . . 0.0 109.399 -169.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.9 139.74 14.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.061 0.838 . . . . 0.0 111.334 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.39 133.41 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.929 1.291 . . . . 0.0 109.08 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -134.29 99.0 4.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.612 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.09 155.58 78.93 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.657 1.183 . . . . 0.0 110.533 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.12 158.24 35.64 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.669 2.246 . . . . 0.0 111.811 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -68.31 -0.87 5.27 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.557 0.743 . . . . 0.0 112.637 169.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.03 -25.03 67.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.109 1.364 . . . . 0.0 111.944 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.61 157.6 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.1 0.96 . . . . 0.0 111.026 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.42 20.49 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.714 172.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.06 124.91 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.873 0.469 . . . . 0.0 110.261 168.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -149.7 166.18 30.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.271 1.028 . . . . 0.0 110.206 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -78.74 161.61 26.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.685 -0.635 . . . . 0.0 109.95 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.09 -22.81 61.41 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.28 -49.54 69.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.143 0.977 . . . . 0.0 111.654 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.98 -33.17 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.591 0.756 . . . . 0.0 109.929 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.406 0.683 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -69.17 -26.53 64.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.219 0.608 . . . . 0.0 112.571 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.36 -23.03 61.83 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.364 0.666 . . . . 0.0 110.716 176.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.31 -46.99 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.153 0.981 . . . . 0.0 109.635 -171.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 . . . . . 0 N--CA 1.455 -0.22 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 176.124 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.755 -0.091 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.17 148.81 23.71 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.025 0.53 . . . . 0.0 111.153 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.2 127.05 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 171.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.86 155.87 28.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.594 1.558 . . . . 0.0 109.305 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.13 103.39 8.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -116.49 126.24 53.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.538 -170.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -88.73 165.86 14.44 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 119.117 0.871 . . . . 0.0 112.787 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.4 m -58.06 135.7 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.287 -171.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.97 -9.31 72.99 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.348 0.975 . . . . 0.0 113.873 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -96.44 172.32 8.01 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.804 1.302 . . . . 0.0 112.27 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 64.4 m -131.24 160.43 34.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -169.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -138.65 156.26 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.154 2.182 . . . . 0.0 107.852 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -131.74 149.36 52.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.382 -0.824 . . . . 0.0 112.431 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.63 141.47 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.599 1.16 . . . . 0.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -139.14 47.94 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -122.24 10.03 9.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.087 0.955 . . . . 0.0 112.452 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -134.61 -20.71 1.78 Allowed 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -96.97 136.81 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 119.267 0.939 . . . . 0.0 110.755 -170.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m -125.35 142.05 51.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.009 0.924 . . . . 0.0 110.392 173.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.81 140.25 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.737 1.615 . . . . 0.0 108.169 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -136.26 128.1 29.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.054 0.542 . . . . 0.0 109.839 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -81.34 111.34 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.0 -28.08 26.0 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.416 0.686 . . . . 0.0 111.217 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.15 -172.35 35.84 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.076 0.369 . . . . 0.0 113.485 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.71 159.56 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.281 0.632 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -149.16 91.19 1.81 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.927 1.291 . . . . 0.0 109.229 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.49 -103.01 1.45 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -101.94 -16.74 16.42 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 117.417 0.609 . . . . 0.0 111.992 170.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.54 145.8 47.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.647 0.737 . . . . 0.0 109.485 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -140.57 106.88 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -84.63 127.47 34.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.632 0.773 . . . . 0.0 109.013 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.43 140.58 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.964 0.906 . . . . 0.0 110.352 -168.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 138.63 14.93 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.096 0.855 . . . . 0.0 111.014 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.29 138.83 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.178 0.991 . . . . 0.0 109.79 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -132.2 106.44 7.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.136 0.974 . . . . 0.0 109.346 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.35 157.97 76.61 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 111.324 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -65.61 162.71 33.05 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.051 2.501 . . . . 0.0 112.135 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -70.28 -7.73 44.72 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.467 0.707 . . . . 0.0 112.611 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.7 -18.13 64.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.853 1.261 . . . . 0.0 112.395 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -130.01 162.85 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 111.148 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.55 164.28 12.14 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.546 0.739 . . . . 0.0 111.34 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.35 129.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.522 0.729 . . . . 0.0 110.111 170.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -151.41 174.13 13.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.271 1.029 . . . . 0.0 110.217 175.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -74.33 159.57 32.22 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -62.43 -21.96 65.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.33 -50.74 72.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.776 0.83 . . . . 0.0 111.304 172.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -79.68 -31.82 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.091 0.556 . . . . 0.0 109.586 -171.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . 0.451 ' HA ' HG12 ' F' ' 51' ' ' ILE . 70.3 t80 -53.2 -35.22 59.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.991 0.916 . . . . 0.0 112.896 177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.59 -22.04 66.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.101 0.56 . . . . 0.0 112.351 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -82.46 -34.6 28.06 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.183 0.593 . . . . 0.0 110.706 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.451 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.2 mm . . . . . 0 N--CA 1.456 -0.14 0 C-N-CA 124.02 0.928 . . . . 0.0 110.118 172.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.81 115.75 31.06 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.456 0.702 . . . . 0.0 109.961 -175.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -101.24 137.76 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.925 0.89 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.54 161.34 34.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.386 1.075 . . . . 0.0 109.826 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.9 m -128.02 100.94 6.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -120.03 147.17 45.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.824 0.45 . . . . 0.0 110.776 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -104.35 160.66 14.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.834 0.853 . . . . 0.0 109.702 -170.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.495 HG13 ' HA2' ' A' ' 24' ' ' GLY . 60.9 t -47.66 128.9 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.726 0.41 . . . . 0.0 111.297 -178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.62 -6.49 70.7 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.599 1.095 . . . . 0.0 114.002 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -91.14 172.09 8.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.529 1.164 . . . . 0.0 112.165 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -140.11 158.07 44.62 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -170.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.49 159.58 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 126.466 1.906 . . . . 0.0 109.561 173.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -131.21 139.13 49.64 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.372 1.069 . . . . 0.0 110.847 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.5 mt -132.57 131.07 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.449 1.099 . . . . 0.0 109.599 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.9 -125.24 18.98 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.92 -4.9 4.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.358 1.063 . . . . 0.0 111.762 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -138.1 -8.93 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -168.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -111.33 138.01 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 119.09 0.859 . . . . 0.0 110.489 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -139.77 142.16 36.77 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.215 1.006 . . . . 0.0 109.383 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -126.07 148.1 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.286 1.034 . . . . 0.0 109.083 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -138.89 138.65 37.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.738 0.815 . . . . 0.0 110.264 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -93.32 100.52 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.56 -26.73 60.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 0.0 110.6 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.495 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 171.7 -170.88 43.74 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.294 0.473 . . . . 0.0 113.236 169.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.83 157.04 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.503 0.721 . . . . 0.0 111.34 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -141.88 61.18 1.46 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.911 1.284 . . . . 0.0 109.622 -174.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.23 -121.04 6.85 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.41 -4.09 49.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.45 0.7 . . . . 0.0 111.813 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.87 159.18 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.836 0.827 . . . . 0.0 111.928 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -140.79 129.7 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 126.487 1.915 . . . . 0.0 108.184 -169.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -101.88 101.87 12.37 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.8 mt -108.88 139.97 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.583 1.153 . . . . 0.0 109.984 -170.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.84 142.29 13.58 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 123.43 0.538 . . . . 0.0 112.072 173.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.91 136.46 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.788 1.235 . . . . 0.0 108.987 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.57 82.43 1.88 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.722 1.209 . . . . 0.0 109.247 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.91 153.4 51.0 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.107 0.963 . . . . 0.0 110.407 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.26 157.92 41.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.657 2.238 . . . . 0.0 110.683 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -67.97 -1.3 5.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -31.02 71.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.821 0.849 . . . . 0.0 111.426 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.97 144.07 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.773 0.797 . . . . 0.0 111.248 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.03 143.02 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.667 0.787 . . . . 0.0 110.611 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -132.91 128.32 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -149.82 150.63 32.27 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.156 0.582 . . . . 0.0 110.915 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.61 159.29 27.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.585 0.354 . . . . 0.0 111.189 169.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -73.32 -24.01 60.33 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.097 -0.377 . . . . 0.0 111.89 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.52 -20.37 59.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.629 1.172 . . . . 0.0 112.671 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.03 -29.19 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.038 0.935 . . . . 0.0 111.391 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -61.02 -31.39 71.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 119.14 0.882 . . . . 0.0 110.719 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -76.56 -14.66 59.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.388 0.675 . . . . 0.0 112.043 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -81.42 -34.29 31.65 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.038 0.935 . . . . 0.0 110.944 169.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.64 HG22 HE21 ' A' ' 52' ' ' GLN . 50.8 mt -63.6 -52.37 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 171.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.64 HE21 HG22 ' A' ' 51' ' ' ILE . 77.1 mm-40 . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 123.704 0.802 . . . . 0.0 112.519 -176.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 tpp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 119.749 -0.167 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -123.98 112.17 16.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.329 1.452 . . . . 0.0 108.101 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 5.2 mp -102.59 142.39 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.446 0.698 . . . . 0.0 111.486 -169.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.59 148.55 47.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.797 1.639 . . . . 0.0 110.311 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.3 m -107.44 117.6 34.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.56 154.79 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.559 1.544 . . . . 0.0 110.029 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -113.65 160.06 19.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.254 0.934 . . . . 0.0 110.617 166.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -59.18 129.57 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 121.455 0.645 . . . . 0.0 111.125 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.13 -5.64 63.38 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-O 118.902 -0.943 . . . . 0.0 115.139 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.18 169.28 14.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.381 1.591 . . . . 0.0 111.644 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -138.84 156.25 47.47 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.743 0.817 . . . . 0.0 112.17 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mm -131.59 152.97 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 126.41 1.884 . . . . 0.0 108.988 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -128.79 141.52 51.28 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.571 1.148 . . . . 0.0 110.481 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -130.68 130.74 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.241 1.016 . . . . 0.0 109.624 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.0 -133.55 52.66 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.58 4.57 8.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.682 0.793 . . . . 0.0 112.249 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.54 -17.79 7.99 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.603 0.761 . . . . 0.0 113.031 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.49 135.69 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.743 0.701 . . . . 0.0 110.611 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.0 m -131.71 147.7 52.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.425 1.09 . . . . 0.0 109.979 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -128.09 143.38 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.755 1.622 . . . . 0.0 108.103 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -135.68 130.69 34.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.115 0.566 . . . . 0.0 110.041 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.7 95.19 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.24 -34.28 78.0 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.936 -0.478 . . . . 0.0 110.983 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.1 179.37 37.57 Favored Glycine 0 C--N 1.335 0.526 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 173.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.27 148.1 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-O 121.062 0.458 . . . . 0.0 110.081 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -124.54 77.63 1.6 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.047 0.939 . . . . 0.0 108.474 170.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.02 -118.49 4.72 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -175.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.09 10.25 41.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.201 -0.588 . . . . 0.0 111.144 173.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.96 155.08 17.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.164 0.986 . . . . 0.0 109.959 169.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.98 113.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.065 0.546 . . . . 0.0 109.569 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.97 118.91 24.84 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.126 1.371 . . . . 0.0 109.612 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -129.29 131.28 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.258 1.023 . . . . 0.0 109.694 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.93 139.49 14.5 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 171.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -122.87 131.38 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.175 0.99 . . . . 0.0 109.036 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -132.56 75.17 1.61 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.332 -168.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.77 158.13 50.51 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.702 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.05 156.67 43.22 Favored 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 122.024 1.816 . . . . 0.0 111.38 169.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.09 -0.85 4.94 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.231 1.012 . . . . 0.0 112.114 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.84 -27.41 68.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.399 1.48 . . . . 0.0 111.184 171.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -111.83 144.08 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.695 1.198 . . . . 0.0 109.98 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.43 142.65 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.599 0.714 . . . . 0.0 111.014 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.69 96.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.032 -166.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -144.93 167.19 23.23 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.073 0.949 . . . . 0.0 110.558 178.284 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -72.86 162.26 29.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 169.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.98 -41.67 83.47 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.65 0.78 . . . . 0.0 112.495 -171.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -72.22 -3.37 23.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 121.335 -0.853 . . . . 0.0 113.279 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 14.8 mm -101.98 -50.13 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 123.708 0.803 . . . . 0.0 109.712 169.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -49.3 -38.84 28.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.444 1.498 . . . . 0.0 112.264 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.23 -23.22 62.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -76.55 -43.57 38.53 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.9 0.773 . . . . 0.0 109.899 170.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.519 HG22 HE22 ' B' ' 52' ' ' GLN . 98.3 mt -63.78 -37.73 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.459 0.704 . . . . 0.0 109.43 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.519 HE22 HG22 ' B' ' 51' ' ' ILE . 15.2 mm-40 -81.09 1.14 32.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 175.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.25 -19.66 50.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.384 0.674 . . . . 0.0 111.764 169.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.2 50.24 0.09 OUTLIER Glycine 0 C--N 1.338 0.676 0 CA-C-O 119.589 -0.562 . . . . 0.0 114.049 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -168.95 -177.41 2.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.61 0.705 . . . . 0.0 112.387 -168.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 57.2 p -128.18 -172.2 2.63 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.339 1.456 . . . . 0.0 109.556 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.4 124.02 4.55 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.761 0.825 . . . . 0.0 111.312 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.69 171.43 5.77 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.844 2.362 . . . . 0.0 114.461 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.453 -0.281 0 C-N-CA 124.753 1.221 . . . . 0.0 113.078 -176.773 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.37 107.38 15.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 167.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.24 131.97 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.765 0.826 . . . . 0.0 109.069 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.75 138.97 53.45 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.04 0.936 . . . . 0.0 109.416 169.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -102.15 145.31 29.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.588 0.708 . . . . 0.0 111.196 169.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -138.89 145.27 39.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.532 1.133 . . . . 0.0 109.157 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -78.0 162.55 26.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 167.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.67 133.25 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 O-C-N 121.819 -0.551 . . . . 0.0 111.21 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.97 -2.19 87.0 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.782 1.182 . . . . 0.0 114.091 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.57 169.11 12.45 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.493 1.646 . . . . 0.0 111.853 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -129.23 158.2 39.7 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -168.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mt -136.77 159.01 37.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.745 2.418 . . . . 0.0 108.242 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -134.95 149.54 50.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.243 1.017 . . . . 0.0 112.051 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.27 140.24 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.643 1.177 . . . . 0.0 109.095 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -137.3 49.97 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -124.15 9.99 8.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.968 0.907 . . . . 0.0 111.442 169.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.41 -10.82 5.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.054 0.942 . . . . 0.0 112.824 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.65 133.34 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.678 0.672 . . . . 0.0 110.966 -173.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -120.01 148.0 44.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.596 1.158 . . . . 0.0 109.496 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.1 141.93 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.375 1.47 . . . . 0.0 107.986 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -134.52 127.82 32.13 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.95 -0.469 . . . . 0.0 110.144 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -85.89 110.1 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 168.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 mt -79.79 -46.55 16.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.71 -0.619 . . . . 0.0 110.08 -171.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.6 178.75 48.16 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.221 -0.514 . . . . 0.0 113.539 169.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.76 152.85 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 121.395 0.617 . . . . 0.0 111.272 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.8 m -149.9 110.94 4.36 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 168.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.44 -142.01 29.58 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.463 -0.875 . . . . 0.0 110.983 -168.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -85.13 3.32 39.58 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.704 0.802 . . . . 0.0 111.331 167.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.65 139.24 30.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.174 1.39 . . . . 0.0 110.535 -175.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' C' ' 22' ' ' ILE . 39.5 t -125.19 118.29 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -81.81 118.45 22.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 mt -124.91 129.37 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.137 1.375 . . . . 0.0 109.823 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.59 15.13 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.483 1.992 . . . . 0.0 112.16 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -125.9 123.38 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.327 1.051 . . . . 0.0 109.552 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -116.24 99.5 7.26 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.751 0.82 . . . . 0.0 109.982 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.64 155.26 80.68 Favored Pre-proline 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 109.641 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.07 150.22 87.39 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.437 2.092 . . . . 0.0 110.715 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -66.33 -1.04 3.01 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.424 0.689 . . . . 0.0 112.439 173.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -25.29 67.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.627 1.171 . . . . 0.0 111.388 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.89 152.04 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.24 1.016 . . . . 0.0 110.672 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.11 153.11 21.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.48 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.78 131.43 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 168.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -153.16 154.18 34.24 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 122.694 0.398 . . . . 0.0 111.838 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -70.37 156.64 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 166.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -59.97 -34.53 73.41 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -168.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.55 -19.92 62.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.67 -31.41 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.777 0.831 . . . . 0.0 110.881 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -54.5 -41.68 69.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.648 -0.658 . . . . 0.0 111.815 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -58.35 -32.81 68.89 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.539 0.736 . . . . 0.0 112.346 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -71.84 -35.59 69.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.943 0.897 . . . . 0.0 111.548 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp . . . . . 0 N--CA 1.455 -0.197 0 CA-C-N 118.349 0.522 . . . . 0.0 110.722 174.078 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.442 ' HG2' HD11 ' D' ' 3' ' ' ILE 0.368 1.3 tpp . . . . . 0 N--CA 1.475 0.783 1 N-CA-C 98.625 -4.583 . . . . 0.0 98.625 . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -105.96 100.26 9.82 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -167.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.442 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -91.32 135.9 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.445 1.098 . . . . 0.0 109.556 -175.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -136.23 162.8 31.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.016 1.326 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -112.72 113.94 26.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 165.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.04 144.6 43.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.744 0.418 . . . . 0.0 110.102 168.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -83.26 162.99 20.99 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 109.89 173.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.7 m -55.81 136.49 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.09 83.61 Favored Glycine 0 CA--C 1.526 0.776 0 CA-C-O 119.154 -0.803 . . . . 0.0 114.339 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -98.93 170.69 8.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.641 1.22 . . . . 0.0 111.556 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -132.99 160.02 38.34 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mt -142.0 165.04 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 126.651 1.98 . . . . 0.0 108.27 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -141.81 149.23 40.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.897 0.879 . . . . 0.0 112.267 -172.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -136.11 136.82 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.953 1.301 . . . . 0.0 108.99 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.34 -135.7 51.64 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -125.28 9.81 7.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.926 0.89 . . . . 0.0 111.777 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -132.27 -11.54 3.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 136.59 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.843 0.747 . . . . 0.0 110.703 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -129.11 145.17 51.35 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.769 1.228 . . . . 0.0 109.786 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -121.56 141.35 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.188 1.395 . . . . 0.0 108.111 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 55.7 m -136.01 120.85 18.57 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.433 0.693 . . . . 0.0 109.364 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -74.22 105.37 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.66 -31.69 62.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.87 -179.7 39.37 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 112.801 -0.119 . . . . 0.0 112.801 170.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -109.48 158.78 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 122.866 0.466 . . . . 0.0 110.929 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -142.83 74.78 1.46 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.685 1.194 . . . . 0.0 108.722 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.51 -117.19 4.4 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -82.46 -19.24 39.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.024 0.929 . . . . 0.0 110.629 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 2.0 mm100 -74.22 138.15 43.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.085 0.469 . . . . 0.0 110.498 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.75 118.41 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -95.78 109.29 21.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.574 1.15 . . . . 0.0 108.832 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.15 119.84 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.531 0.732 . . . . 0.0 110.11 -169.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.4 131.66 10.73 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -120.61 140.17 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.57 154.69 47.86 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 124.581 1.152 . . . . 0.0 108.705 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -55.85 143.31 81.93 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 121.585 1.524 . . . . 0.0 109.536 169.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -66.6 -7.99 24.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.377 0.608 . . . . 0.0 112.582 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.97 -20.74 66.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.025 1.73 . . . . 0.0 112.79 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -121.55 160.05 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.081 0.952 . . . . 0.0 110.464 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.51 157.01 16.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.24 128.44 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.594 0.758 . . . . 0.0 109.426 168.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.81 173.98 14.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.671 0.789 . . . . 0.0 111.689 178.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -72.68 161.25 31.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 167.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.53 -41.47 97.37 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.53 -0.731 . . . . 0.0 111.618 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.41 -43.24 44.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.435 1.094 . . . . 0.0 112.289 171.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 26.1 mm -84.53 -42.04 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.618 1.167 . . . . 0.0 111.622 -168.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -47.76 -36.5 11.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.022 1.329 . . . . 0.0 112.195 -177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.62 -26.59 65.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.084 1.353 . . . . 0.0 112.998 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -80.1 -48.08 13.8 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.885 0.766 . . . . 0.0 110.998 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.711 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.8 mp . . . . . 0 N--CA 1.456 -0.154 0 C-N-CA 125.824 1.649 . . . . 0.0 111.42 177.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 119.736 -0.174 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -136.94 119.86 16.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.515 0.726 . . . . 0.0 109.498 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 mm -102.15 140.14 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.968 0.907 . . . . 0.0 110.397 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.3 161.38 36.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.206 1.403 . . . . 0.0 110.575 -177.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 127.74 35.92 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 168.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -135.69 126.86 28.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.155 0.982 . . . . 0.0 110.126 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -89.63 164.39 14.76 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.484 1.038 . . . . 0.0 112.207 173.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -56.6 140.19 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.903 -173.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.4 -6.3 83.73 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.015 0.817 . . . . 0.0 114.223 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.57 177.32 5.85 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.782 1.291 . . . . 0.0 111.643 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 22.7 m -139.14 157.52 45.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.19 150.36 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 126.742 2.017 . . . . 0.0 108.366 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -125.86 150.29 47.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.48 0.657 . . . . 0.0 112.394 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 51.1 mt -135.47 134.08 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.793 1.237 . . . . 0.0 109.259 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.06 -134.89 52.26 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -174.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.87 10.09 5.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.223 1.009 . . . . 0.0 112.146 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -126.28 -12.02 6.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.21 132.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 119.082 0.855 . . . . 0.0 110.909 -171.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 17.1 m -125.55 143.46 51.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.292 1.037 . . . . 0.0 110.188 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -122.51 136.88 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.219 1.408 . . . . 0.0 108.388 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 21.3 m -132.38 123.55 26.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.203 0.601 . . . . 0.0 109.828 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . 0.416 HG22 ' H ' ' E' ' 22' ' ' ILE . 2.0 tp -81.0 99.78 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 175.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.86 -30.04 68.47 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.782 0.433 . . . . 0.0 110.724 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.4 -178.24 32.14 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.972 0.796 . . . . 0.0 112.929 169.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -103.59 152.77 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.134 0.574 . . . . 0.0 111.188 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -144.21 90.03 2.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.485 1.114 . . . . 0.0 108.978 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -128.25 32.48 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -169.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -81.65 -21.17 38.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.505 0.652 . . . . 0.0 112.005 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.11 149.15 49.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.302 0.641 . . . . 0.0 109.845 173.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.83 121.41 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -93.66 123.07 36.74 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.081 0.552 . . . . 0.0 110.0 -175.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.51 131.25 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.277 0.631 . . . . 0.0 110.644 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.35 143.22 16.4 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.35 0.976 . . . . 0.0 111.381 170.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -133.49 128.23 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.868 1.267 . . . . 0.0 108.606 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -130.42 98.98 4.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -170.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.11 155.51 74.35 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.614 1.166 . . . . 0.0 110.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.41 158.48 35.84 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.833 2.356 . . . . 0.0 111.933 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -68.58 -1.04 5.88 Favored 'General case' 0 N--CA 1.458 -0.043 0 C-N-CA 123.376 0.67 . . . . 0.0 112.646 169.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.85 -23.59 67.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.72 1.208 . . . . 0.0 111.432 169.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.11 153.67 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.424 1.089 . . . . 0.0 110.327 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.02 158.67 17.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.466 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.09 129.85 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 121.942 -0.474 . . . . 0.0 110.747 169.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -152.69 167.65 28.25 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.746 0.818 . . . . 0.0 111.547 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtm105 -71.69 159.74 33.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 167.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -18.98 65.67 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -43.63 91.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.854 0.862 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.8 -37.92 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.342 0.657 . . . . 0.0 109.813 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.42 -36.24 53.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.58 0.752 . . . . 0.0 112.446 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.44 -21.88 62.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.969 0.908 . . . . 0.0 112.71 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.73 -47.58 45.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.194 0.598 . . . . 0.0 109.478 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . 0.455 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.7 mp -63.31 -22.9 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 125.145 1.378 . . . . 0.0 110.586 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 169.623 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 110.827 -0.064 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.3 150.01 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.844 0.458 . . . . 0.0 111.345 173.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.19 132.37 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 169.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.66 157.63 41.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.696 1.198 . . . . 0.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -132.78 96.95 3.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.741 0.246 . . . . 0.0 110.378 169.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 160.86 24.46 Favored 'General case' 0 N--CA 1.46 0.05 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -102.51 174.52 5.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -169.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -59.74 137.96 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.053 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -3.84 85.31 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 119.27 -0.739 . . . . 0.0 114.471 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.21 179.42 6.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.776 1.288 . . . . 0.0 111.883 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -144.66 155.87 43.81 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.035 0.934 . . . . 0.0 112.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mt -135.31 155.76 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 125.939 1.696 . . . . 0.0 108.017 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -131.46 146.03 52.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.586 -0.696 . . . . 0.0 111.636 -172.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.68 140.81 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.592 1.157 . . . . 0.0 109.225 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.75 -135.5 51.9 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -127.18 10.08 6.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.154 0.982 . . . . 0.0 112.246 170.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -130.27 -19.73 3.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.61 137.27 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 119.118 0.872 . . . . 0.0 110.767 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -136.24 142.66 44.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.35 1.06 . . . . 0.0 110.541 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -116.3 142.21 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.715 1.606 . . . . 0.0 108.213 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 35.0 m -136.69 134.25 37.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.005 0.922 . . . . 0.0 109.737 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -95.29 113.03 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.6 -28.45 37.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.538 0.335 . . . . 0.0 110.535 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.56 -169.2 32.26 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.017 0.342 . . . . 0.0 113.315 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.91 159.96 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.32 0.648 . . . . 0.0 111.909 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -148.88 96.9 2.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.426 1.09 . . . . 0.0 109.187 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.64 -102.96 1.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -102.34 -18.7 15.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.071 0.548 . . . . 0.0 112.1 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.88 144.67 47.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.104 0.562 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.96 112.34 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -87.76 125.49 34.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.67 130.51 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.164 0.986 . . . . 0.0 109.996 -168.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.58 139.12 14.27 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 169.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -126.01 136.35 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.952 0.901 . . . . 0.0 108.814 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -129.49 107.9 9.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.866 0.866 . . . . 0.0 109.172 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.28 158.5 72.24 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.687 0.795 . . . . 0.0 111.301 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.84 161.75 34.96 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.935 2.423 . . . . 0.0 112.186 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.27 -11.57 57.85 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.713 0.805 . . . . 0.0 112.735 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.96 -20.19 66.35 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.125 1.37 . . . . 0.0 112.711 175.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.13 163.95 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.655 0.782 . . . . 0.0 111.407 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.75 162.86 13.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.551 0.74 . . . . 0.0 111.579 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.04 115.36 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.251 0.62 . . . . 0.0 110.642 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -154.11 173.84 15.52 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.063 0.945 . . . . 0.0 110.936 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 30.6 ptt-85 -76.06 164.11 26.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 168.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -21.36 63.73 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -174.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.45 -46.58 82.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.436 0.695 . . . . 0.0 111.19 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -81.98 -30.91 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.377 0.671 . . . . 0.0 109.906 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -55.19 -37.43 67.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.49 0.716 . . . . 0.0 112.269 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.9 -23.97 64.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -76.78 -23.77 52.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.642 0.777 . . . . 0.0 111.35 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 124.97 1.308 . . . . 0.0 110.287 -172.286 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.29 111.88 24.06 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.683 0.793 . . . . 0.0 109.505 -176.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.3 134.01 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.528 0.731 . . . . 0.0 109.126 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.3 mt -129.67 158.18 40.05 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.268 1.027 . . . . 0.0 109.771 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 100.88 7.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.01 128.05 55.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.326 0.651 . . . . 0.0 110.714 -168.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -91.65 153.19 19.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.606 HG11 HG13 ' A' ' 25' ' ' VAL . 31.4 m -62.94 136.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 119.692 -0.803 . . . . 0.0 112.097 -169.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -2.19 63.41 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.489 1.043 . . . . 0.0 114.174 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -102.7 171.8 7.21 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.735 1.267 . . . . 0.0 111.714 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -137.26 149.29 47.02 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -168.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.4 mm -107.23 158.39 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.648 1.579 . . . . 0.0 109.511 169.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -132.79 134.58 44.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.552 1.141 . . . . 0.0 109.728 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -131.76 125.8 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.245 1.018 . . . . 0.0 109.659 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.91 -129.24 32.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.92 0.02 7.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.883 0.873 . . . . 0.0 112.333 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -132.15 -23.66 2.17 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -169.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.51 134.58 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.97 0.805 . . . . 0.0 110.503 -172.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -128.7 138.42 52.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.962 0.905 . . . . 0.0 109.301 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -118.31 140.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.381 1.073 . . . . 0.0 108.348 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 m -134.47 126.49 29.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.16 101.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 169.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.26 -37.62 74.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.87 -169.51 33.57 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 114.887 0.715 . . . . 0.0 114.887 166.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.606 HG13 HG11 ' A' ' 8' ' ' VAL . 14.2 m -89.2 158.76 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.6 0.76 . . . . 0.0 112.493 -169.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 m -147.26 60.89 1.17 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.82 1.248 . . . . 0.0 108.385 168.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -130.88 19.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -168.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -81.58 -8.37 59.71 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.419 0.688 . . . . 0.0 112.658 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 13.3 pt20 -98.85 134.69 41.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.575 1.179 . . . . 0.0 110.168 168.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.08 124.0 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 126.226 1.81 . . . . 0.0 108.945 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -93.96 101.9 13.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.207 0.527 . . . . 0.0 110.089 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.4 mt -108.41 135.35 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 124.952 1.301 . . . . 0.0 109.471 -176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.02 142.67 16.19 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.892 0.758 . . . . 0.0 111.663 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.43 125.41 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.194 1.398 . . . . 0.0 108.596 177.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -106.77 82.75 1.75 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.357 1.063 . . . . 0.0 108.954 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.42 153.72 44.77 Favored Pre-proline 0 N--CA 1.453 -0.284 0 C-N-CA 124.224 1.01 . . . . 0.0 110.266 169.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.87 154.06 58.48 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.322 2.015 . . . . 0.0 110.46 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.17 -2.49 13.27 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.52 -24.62 62.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.905 0.882 . . . . 0.0 111.716 169.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.05 144.08 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 121.953 0.882 . . . . 0.0 111.593 172.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 143.03 28.18 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.735 0.814 . . . . 0.0 110.544 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 m -132.09 130.43 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.84 0.456 . . . . 0.0 109.928 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.458 ' CD2' HD11 ' A' ' 51' ' ' ILE . 98.0 m-70 -151.58 159.6 44.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.671 0.788 . . . . 0.0 110.379 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 162.16 19.01 Favored 'General case' 0 N--CA 1.456 -0.139 0 O-C-N 122.212 -0.305 . . . . 0.0 111.774 169.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.82 -31.58 72.88 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.535 0.734 . . . . 0.0 112.365 -173.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.31 -25.17 22.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.317 1.047 . . . . 0.0 112.652 171.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.3 -26.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.611 1.164 . . . . 0.0 110.986 -169.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.4 -31.71 72.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.553 -0.717 . . . . 0.0 110.697 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.91 -16.54 61.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -77.84 -33.21 52.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.855 0.862 . . . . 0.0 111.087 170.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.527 HG22 HE21 ' A' ' 52' ' ' GLN . 23.3 mt -64.81 -52.47 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.659 0.784 . . . . 0.0 108.997 172.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.527 HE21 HG22 ' A' ' 51' ' ' ILE . 81.4 mm-40 . . . . . 0 N--CA 1.452 -0.362 0 C-N-CA 123.705 0.802 . . . . 0.0 112.267 -173.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.743 -0.17 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -108.08 120.95 43.78 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 168.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 61.8 mt -117.52 136.6 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.751 0.42 . . . . 0.0 112.016 -166.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -138.8 139.39 38.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.677 1.191 . . . . 0.0 110.504 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.5 p -86.03 132.22 34.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 166.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.431 ' HA ' ' NE ' ' B' ' 6' ' ' ARG . 0.4 OUTLIER -129.86 112.99 14.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 64.7 tttt -82.58 146.45 29.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.2 129.2 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 121.216 0.531 . . . . 0.0 111.667 -168.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.57 -12.47 61.35 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.149 0.88 . . . . 0.0 114.813 -176.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -82.01 165.49 20.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.11 1.455 . . . . 0.0 111.66 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -133.7 157.23 46.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.598 0.759 . . . . 0.0 112.434 -171.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mt -136.86 157.15 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.907 1.683 . . . . 0.0 109.302 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -138.78 142.0 38.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.481 0.712 . . . . 0.0 111.058 -171.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -133.48 127.39 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.421 1.089 . . . . 0.0 109.608 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.87 -135.07 52.26 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -120.57 -2.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.725 0.81 . . . . 0.0 112.424 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.81 -18.85 11.23 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.47 134.79 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.901 0.773 . . . . 0.0 110.958 -170.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.38 149.35 52.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.689 1.196 . . . . 0.0 109.949 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.7 mm -129.15 145.12 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.0 1.72 . . . . 0.0 108.28 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -137.16 131.55 32.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.889 0.476 . . . . 0.0 110.06 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -82.46 95.19 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.46 -33.11 75.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.945 -0.472 . . . . 0.0 110.891 -175.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 -179.23 35.98 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 123.369 0.509 . . . . 0.0 112.058 171.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.48 145.28 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.223 0.535 . . . . 0.0 110.323 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -121.21 71.83 0.97 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.798 1.239 . . . . 0.0 108.0 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.36 -119.76 5.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -171.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . 0.497 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -98.19 11.31 38.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 122.012 -0.699 . . . . 0.0 111.494 174.701 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -98.94 156.44 16.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.106 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.77 115.51 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.65 117.5 23.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.006 0.922 . . . . 0.0 109.724 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.38 129.81 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.393 1.077 . . . . 0.0 109.463 -171.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.83 136.12 13.01 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -120.08 130.57 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.86 0.838 . . . . 0.0 109.314 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -130.2 76.81 1.75 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.214 -168.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.73 157.13 63.73 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.85 176.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.11 158.01 36.67 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.026 1.818 . . . . 0.0 111.684 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -71.66 -0.9 11.95 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.909 0.884 . . . . 0.0 112.253 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.99 -25.32 67.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.255 1.422 . . . . 0.0 111.634 169.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -111.93 144.09 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.106 0.963 . . . . 0.0 109.986 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.9 143.08 27.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.491 0.662 . . . . 0.0 111.225 169.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.53 97.45 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.021 -166.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 163.77 34.35 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.92 0.488 . . . . 0.0 111.469 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -69.05 159.85 32.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.534 0.207 . . . . 0.0 111.209 169.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -55.01 -38.12 67.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.393 0.677 . . . . 0.0 112.568 -175.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -48.68 -50.63 32.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.346 0.521 . . . . 0.0 110.874 175.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -74.52 -47.94 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.084 1.354 . . . . 0.0 109.925 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.94 -37.5 44.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.263 1.025 . . . . 0.0 111.735 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -70.53 -22.89 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -83.82 -38.59 21.04 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.287 0.949 . . . . 0.0 110.735 170.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.542 HG22 ' NE2' ' B' ' 52' ' ' GLN . 93.8 mt -62.67 -40.9 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.542 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.7 mm-40 -80.17 4.99 15.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.43 -19.86 48.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.913 0.485 . . . . 0.0 111.272 168.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.84 47.48 0.08 OUTLIER Glycine 0 C--N 1.338 0.639 0 CA-C-O 119.438 -0.645 . . . . 0.0 114.071 169.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -176.72 2.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.92 0.86 . . . . 0.0 112.866 -168.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.9 p -125.41 178.42 5.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.461 1.504 . . . . 0.0 109.345 167.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.65 119.02 1.08 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 124.778 1.231 . . . . 0.0 112.045 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 45.9 Cg_exo -70.37 177.48 5.96 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.847 1.698 . . . . 0.0 114.959 -169.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 125.321 1.448 . . . . 0.0 113.002 -177.713 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.44 1.9 tpp . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.388 0.613 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.45 21.87 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 168.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.32 130.97 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -122.95 134.98 54.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.419 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -84.12 138.0 33.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 167.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.442 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.8 ttp180 -141.22 141.16 34.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.591 0.234 . . . . 0.0 110.676 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 19.5 ttpp -108.65 143.66 37.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.883 0.873 . . . . 0.0 108.848 -174.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -52.04 130.95 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.98 -12.19 62.31 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.462 1.506 . . . . 0.0 114.351 -175.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -87.79 -179.1 6.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.396 1.598 . . . . 0.0 112.581 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 60.1 m -145.37 159.73 42.61 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -167.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.442 HG13 ' HD3' ' C' ' 6' ' ' ARG . 65.9 mt -135.2 159.8 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 127.655 2.382 . . . . 0.0 108.3 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -129.28 146.53 51.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.434 1.094 . . . . 0.0 111.207 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.48 141.62 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.637 1.175 . . . . 0.0 109.098 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.54 -135.81 50.11 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -170.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -123.75 10.05 8.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.907 0.883 . . . . 0.0 111.151 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.17 -8.96 3.81 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.258 1.023 . . . . 0.0 113.51 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.96 138.02 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.726 0.694 . . . . 0.0 110.95 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 16.1 m -122.65 144.07 49.36 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.699 1.2 . . . . 0.0 109.303 169.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.27 145.33 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.094 1.358 . . . . 0.0 107.854 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m -136.71 139.55 42.02 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 118.572 0.624 . . . . 0.0 110.882 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.7 tp -91.83 110.02 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.6 mt -87.84 -36.75 17.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.702 -0.623 . . . . 0.0 109.657 -172.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.92 175.06 39.24 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.344 -0.455 . . . . 0.0 114.019 168.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -112.75 148.41 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.383 0.673 . . . . 0.0 110.435 169.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 105.95 3.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.23 -142.04 28.78 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.814 -168.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.41 2.95 38.26 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.542 1.137 . . . . 0.0 110.668 168.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.97 143.31 26.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.774 1.63 . . . . 0.0 110.38 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.56 120.25 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.44 ' HG2' HD12 ' C' ' 23' ' ' LEU . 16.2 ttm180 -81.3 119.29 23.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 169.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 mt -117.3 130.33 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.921 1.288 . . . . 0.0 110.112 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.69 139.73 14.77 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 125.643 1.592 . . . . 0.0 111.501 171.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.34 137.69 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -137.98 94.22 2.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -173.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.32 153.76 69.08 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 110.803 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.18 151.58 81.24 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.936 2.424 . . . . 0.0 111.096 171.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -64.3 -1.04 1.46 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.554 0.741 . . . . 0.0 112.765 172.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.9 -22.94 66.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 111.502 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.05 146.09 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.337 1.055 . . . . 0.0 110.25 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.12 154.84 19.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.886 0.474 . . . . 0.0 111.207 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -140.19 130.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.84 0.456 . . . . 0.0 110.255 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -157.0 164.6 37.82 Favored 'General case' 0 C--N 1.337 0.035 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -69.82 150.78 46.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 165.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.5 -38.16 71.4 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.53 -19.32 60.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -92.74 -31.12 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 110.82 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -52.54 -43.55 65.23 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.621 -0.675 . . . . 0.0 111.454 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -62.23 -27.41 68.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.324 0.65 . . . . 0.0 112.703 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -69.07 -40.32 78.55 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.439 0.696 . . . . 0.0 111.446 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp . . . . . 0 N--CA 1.454 -0.245 0 C-N-CA 122.433 0.293 . . . . 0.0 110.357 176.015 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.19 107.48 14.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 167.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.98 140.27 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.496 1.118 . . . . 0.0 109.623 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.91 162.0 39.65 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.519 0.728 . . . . 0.0 111.436 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -88.25 148.14 24.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 111.407 173.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -138.1 137.67 37.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.73 0.812 . . . . 0.0 109.983 169.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -85.91 155.55 20.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.254 0.479 . . . . 0.0 110.159 169.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -55.09 135.75 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.533 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.35 -2.59 81.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.315 0.96 . . . . 0.0 114.182 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -98.71 175.92 5.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.827 1.314 . . . . 0.0 111.931 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -133.93 161.79 33.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mt -141.83 157.25 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.171 2.189 . . . . 0.0 108.306 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.13 148.78 50.6 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.571 -0.705 . . . . 0.0 111.837 177.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -133.96 135.19 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.103 1.361 . . . . 0.0 109.545 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.86 44.0 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -124.67 1.66 8.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.883 0.873 . . . . 0.0 111.79 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -134.44 -10.77 2.47 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.41 132.15 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 118.941 0.792 . . . . 0.0 110.36 -175.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 12.2 m -120.13 147.48 44.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.759 0.824 . . . . 0.0 109.753 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -126.65 142.78 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 125.284 1.434 . . . . 0.0 108.173 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 13.3 m -138.42 128.44 25.5 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.36 102.93 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.12 -29.77 43.4 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.925 -0.484 . . . . 0.0 111.037 -169.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.17 -178.6 39.45 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 121.795 -0.241 . . . . 0.0 113.395 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -111.16 160.03 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.356 0.663 . . . . 0.0 111.394 170.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -143.73 73.25 1.38 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.11 1.364 . . . . 0.0 108.626 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.27 -116.55 4.58 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.32 -22.91 43.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.996 1.318 . . . . 0.0 110.468 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -82.99 155.69 23.83 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.552 1.141 . . . . 0.0 111.542 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -142.28 122.93 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.195 0.998 . . . . 0.0 108.412 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 mtm180 -83.47 124.3 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.261 0.482 . . . . 0.0 109.884 170.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -129.78 119.83 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.842 0.857 . . . . 0.0 109.491 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.49 141.18 19.53 Favored Glycine 0 CA--C 1.523 0.531 0 C-N-CA 124.884 1.231 . . . . 0.0 110.766 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.07 136.15 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -136.19 89.86 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.187 0.595 . . . . 0.0 109.755 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 156.51 71.2 Favored Pre-proline 0 N--CA 1.45 -0.437 0 C-N-CA 124.918 1.287 . . . . 0.0 109.422 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.29 151.6 84.08 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.916 1.744 . . . . 0.0 110.009 169.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.07 -0.86 2.66 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.031 0.532 . . . . 0.0 112.343 169.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.9 -23.9 66.73 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.92 1.288 . . . . 0.0 111.23 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -127.34 159.63 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.632 1.173 . . . . 0.0 110.63 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.42 157.07 16.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.952 0.501 . . . . 0.0 112.266 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.6 127.85 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.955 0.502 . . . . 0.0 109.677 167.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -149.55 163.67 37.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.227 0.611 . . . . 0.0 111.677 175.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -63.48 158.46 20.82 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -63.06 -33.56 75.69 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.399 0.545 . . . . 0.0 112.153 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.0 -52.63 64.95 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.532 0.605 . . . . 0.0 110.798 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 6.1 mm -66.85 -44.84 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.943 -173.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -48.96 -42.56 37.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.788 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -57.76 -26.48 61.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.822 0.849 . . . . 0.0 112.926 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.81 -33.36 60.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.713 1.205 . . . . 0.0 110.841 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.663 HD12 ' N ' ' D' ' 51' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.453 -0.301 0 C-N-CA 126.924 2.09 . . . . 0.0 109.851 178.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tt -104.99 140.03 38.79 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.511 1.524 . . . . 0.0 109.337 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.1 139.54 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.866 0.866 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.6 mt -134.09 165.03 26.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.579 1.552 . . . . 0.0 110.657 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 99.76 5.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 168.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -104.99 129.88 53.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.124 1.369 . . . . 0.0 111.871 -169.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -80.07 155.12 27.7 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.307 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.71 137.08 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 111.498 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.99 -4.11 83.01 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.157 -0.801 . . . . 0.0 114.319 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -94.44 178.42 5.62 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.901 1.35 . . . . 0.0 111.489 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -138.43 156.83 47.21 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -169.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.8 mt -136.12 157.6 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 126.534 1.934 . . . . 0.0 108.114 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.43 149.78 48.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.489 -0.757 . . . . 0.0 112.909 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -137.52 138.72 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.677 1.191 . . . . 0.0 109.075 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.66 -138.14 49.58 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.0 10.01 7.54 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.072 0.949 . . . . 0.0 112.446 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.26 -11.48 4.12 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.62 135.17 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 119.247 0.93 . . . . 0.0 111.194 -169.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -127.04 143.64 51.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.353 1.061 . . . . 0.0 110.229 174.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -121.23 136.38 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.358 1.463 . . . . 0.0 108.189 175.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -132.5 123.56 26.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.246 0.618 . . . . 0.0 109.823 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -80.97 102.37 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 175.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.5 -31.75 68.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.552 0.341 . . . . 0.0 110.69 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.68 -169.69 32.36 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.386 0.517 . . . . 0.0 113.241 170.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.76 160.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -149.98 98.1 2.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.592 1.557 . . . . 0.0 108.95 169.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.89 -119.82 8.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -173.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.4 -12.09 35.81 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.548 0.674 . . . . 0.0 111.416 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -83.32 141.0 32.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.822 0.82 . . . . 0.0 110.697 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.09 109.65 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -168.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -89.16 122.04 32.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.07 126.39 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.158 0.983 . . . . 0.0 110.098 -169.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.57 139.97 17.71 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.075 0.845 . . . . 0.0 111.027 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.2 mt -130.88 124.79 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.781 1.232 . . . . 0.0 108.555 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -127.77 99.02 5.38 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.5 155.89 71.67 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.648 1.179 . . . . 0.0 110.6 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.72 159.23 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.972 2.448 . . . . 0.0 112.088 171.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -68.74 -0.9 5.9 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.429 0.691 . . . . 0.0 112.687 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.9 -24.01 67.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.839 1.255 . . . . 0.0 111.544 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.08 156.04 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.216 1.006 . . . . 0.0 110.766 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.58 154.4 20.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.648 173.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.12 126.01 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.873 0.469 . . . . 0.0 110.171 168.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -149.49 165.76 31.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.24 1.016 . . . . 0.0 109.838 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -77.47 161.65 27.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.678 -0.639 . . . . 0.0 109.835 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.91 -22.35 59.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.19 -51.39 61.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.004 0.922 . . . . 0.0 111.41 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.39 -32.74 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.668 0.787 . . . . 0.0 109.582 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 71.0 t80 -55.96 -36.17 67.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.193 0.597 . . . . 0.0 112.607 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.89 -28.69 67.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.845 -0.534 . . . . 0.0 112.325 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -71.66 -23.67 61.71 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.112 0.565 . . . . 0.0 110.361 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 63.9 mt -99.16 -27.15 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.73 1.612 . . . . 0.0 112.288 -173.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 74.2 mm-40 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 175.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tpt . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -97.56 150.36 21.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.874 0.47 . . . . 0.0 111.452 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 169.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.46 150.2 35.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.642 1.577 . . . . 0.0 108.875 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -122.43 101.09 7.29 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.318 0.58 . . . . 0.0 110.344 169.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -104.97 144.56 31.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.399 1.479 . . . . 0.0 109.367 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -107.29 164.33 12.27 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.867 1.212 . . . . 0.0 113.485 169.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -53.89 134.85 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.925 -169.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.28 -11.0 69.41 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.356 0.979 . . . . 0.0 114.122 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -97.26 176.96 5.72 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.759 1.28 . . . . 0.0 112.33 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -136.09 161.25 36.22 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -136.49 156.7 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 127.114 2.166 . . . . 0.0 107.982 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -131.75 151.45 51.64 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.328 -0.858 . . . . 0.0 112.639 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.63 141.22 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.64 1.176 . . . . 0.0 109.053 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.62 -137.25 49.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -121.63 10.08 10.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.352 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.65 -17.46 1.11 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.12 137.77 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.119 0.872 . . . . 0.0 110.717 -171.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -126.29 141.03 52.07 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.212 1.005 . . . . 0.0 110.361 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -118.17 139.87 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.548 1.539 . . . . 0.0 107.931 171.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -136.35 127.92 28.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.147 0.579 . . . . 0.0 109.779 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.89 108.11 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.75 -29.98 45.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.83 0.452 . . . . 0.0 110.89 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.61 -170.44 34.64 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 123.262 0.458 . . . . 0.0 113.029 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.16 151.11 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 112.033 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.7 m -139.9 90.03 2.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.317 1.447 . . . . 0.0 108.768 170.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.83 -125.07 29.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.661 -0.575 . . . . 0.0 111.661 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -80.11 -15.57 56.83 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.05 142.09 31.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.458 0.647 . . . . 0.0 110.327 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -128.74 117.06 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -85.93 117.86 25.04 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.18 133.97 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.861 0.864 . . . . 0.0 109.791 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.82 141.47 15.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.153 0.883 . . . . 0.0 111.308 172.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.05 137.64 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.317 1.047 . . . . 0.0 109.597 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -131.65 106.44 8.16 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.129 0.972 . . . . 0.0 109.605 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.31 158.15 75.19 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.798 0.839 . . . . 0.0 111.472 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.19 162.63 29.07 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.953 2.435 . . . . 0.0 112.338 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.82 -4.9 14.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 169.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.48 -23.62 66.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.236 1.414 . . . . 0.0 112.153 173.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -129.17 164.8 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 111.007 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.74 161.51 14.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.308 0.643 . . . . 0.0 111.399 170.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.96 122.57 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.404 0.682 . . . . 0.0 110.37 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.6 173.53 15.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.168 0.987 . . . . 0.0 110.252 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -78.29 163.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.792 -0.568 . . . . 0.0 109.96 169.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -60.73 -29.96 69.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.854 0.461 . . . . 0.0 112.205 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.68 -44.61 77.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.021 0.928 . . . . 0.0 111.615 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -89.17 -30.67 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.602 0.761 . . . . 0.0 110.298 -170.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -49.85 -35.35 22.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 112.714 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -59.95 -22.0 61.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.05 0.94 . . . . 0.0 112.694 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -72.91 -47.77 42.86 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.502 HD12 ' N ' ' F' ' 51' ' ' ILE . 1.9 mp . . . . . 0 N--CA 1.455 -0.212 0 C-N-CA 125.456 1.502 . . . . 0.0 110.554 -178.209 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 ttp . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.18 108.76 20.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.696 0.798 . . . . 0.0 109.979 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.12 135.03 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.54 157.58 41.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 109.748 172.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -119.12 100.98 7.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.56 ' HG2' HD11 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -117.96 143.26 46.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.868 0.867 . . . . 0.0 110.622 -168.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -108.45 160.34 15.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.88 -0.512 . . . . 0.0 110.631 -170.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -47.73 126.02 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.324 0.649 . . . . 0.0 110.555 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 -5.91 78.3 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.511 1.053 . . . . 0.0 114.921 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -80.3 159.69 25.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.926 1.363 . . . . 0.0 111.249 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 m -134.3 133.15 40.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.485 0.714 . . . . 0.0 112.313 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.1 mm -102.18 155.75 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 124.676 1.19 . . . . 0.0 109.922 173.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.33 135.22 46.04 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.098 0.959 . . . . 0.0 110.846 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.72 124.57 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.15 0.98 . . . . 0.0 110.892 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.89 -121.47 23.51 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 166.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -80.53 0.9 31.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -165.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 147.0 7.28 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 128.419 2.688 . . . . 0.0 112.17 168.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.1 mp -69.95 129.02 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 O-C-N 120.859 -1.151 . . . . 0.0 109.379 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -123.37 135.0 53.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.23 0.612 . . . . 0.0 109.913 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 mm -122.59 119.91 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.754 0.822 . . . . 0.0 109.229 -171.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.9 m -116.19 133.2 56.28 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.797 0.726 . . . . 0.0 110.574 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -83.92 105.62 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -27.42 60.85 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.0 -167.99 38.28 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 122.779 0.228 . . . . 0.0 113.249 168.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.35 154.18 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.892 0.877 . . . . 0.0 111.399 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -133.99 73.2 1.49 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.511 1.124 . . . . 0.0 109.466 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.25 -120.31 7.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -83.66 6.47 20.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.124 0.57 . . . . 0.0 111.989 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -98.82 158.43 15.63 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.909 0.861 . . . . 0.0 111.29 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -142.05 107.99 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.834 1.654 . . . . 0.0 108.319 -168.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -94.89 101.9 13.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.206 0.602 . . . . 0.0 110.096 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.8 mt -106.99 134.54 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.212 1.405 . . . . 0.0 110.209 -174.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.4 134.64 12.17 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -108.25 128.49 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.114 1.366 . . . . 0.0 108.448 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -117.59 74.91 0.96 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.23 1.012 . . . . 0.0 109.414 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 152.41 39.4 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 125.09 1.356 . . . . 0.0 110.693 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.32 153.07 61.62 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.503 2.135 . . . . 0.0 110.242 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.02 -2.31 12.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.69 -24.97 63.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.859 0.864 . . . . 0.0 111.903 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -114.9 144.07 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 121.964 0.887 . . . . 0.0 111.709 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.02 143.1 29.99 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.918 0.887 . . . . 0.0 110.622 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.93 128.69 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.767 0.427 . . . . 0.0 110.148 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CD2' HD11 ' A' ' 51' ' ' ILE . 99.1 m-70 -151.7 156.81 41.09 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.729 0.812 . . . . 0.0 110.524 -173.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 162.48 18.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.923 170.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.67 -32.0 73.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.54 0.736 . . . . 0.0 112.429 -172.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.41 -25.94 17.82 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.612 1.165 . . . . 0.0 112.665 170.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -116.92 -24.74 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.573 1.149 . . . . 0.0 110.921 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -61.43 -31.53 71.47 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.792 0.723 . . . . 0.0 110.817 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.28 -15.74 61.4 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 111.815 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.8 -34.93 33.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.207 1.003 . . . . 0.0 110.879 169.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.601 HG22 HE21 ' A' ' 52' ' ' GLN . 38.5 mt -62.14 -52.44 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.813 0.845 . . . . 0.0 109.035 175.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.601 HE21 HG22 ' A' ' 51' ' ' ILE . 79.0 mm-40 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 123.695 0.798 . . . . 0.0 112.67 -174.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.7 120.2 41.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 63.7 mt -115.62 140.03 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 121.017 0.437 . . . . 0.0 112.105 -165.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -133.93 127.76 33.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 63.4 m -89.8 101.54 14.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 169.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.9 172.94 7.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.242 1.417 . . . . 0.0 109.77 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -145.41 158.05 43.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.293 1.037 . . . . 0.0 108.777 167.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.38 133.8 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -168.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.18 64.66 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 114.866 -1.061 . . . . 0.0 114.512 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.77 171.2 13.38 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.825 1.312 . . . . 0.0 111.846 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -135.51 157.6 46.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.81 0.844 . . . . 0.0 112.163 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -131.88 157.48 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 125.606 1.562 . . . . 0.0 109.2 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -136.58 138.87 41.69 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.88 0.872 . . . . 0.0 110.68 -173.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -133.71 129.61 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.257 1.023 . . . . 0.0 109.639 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.94 -135.69 51.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -120.51 0.52 10.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.64 0.776 . . . . 0.0 112.212 173.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -119.26 -17.01 8.97 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -170.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.85 135.28 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 118.774 0.716 . . . . 0.0 110.856 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -130.45 149.13 52.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.77 1.228 . . . . 0.0 109.731 170.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 mm -126.81 145.45 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.762 1.625 . . . . 0.0 108.256 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -134.89 129.56 34.56 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.07 0.548 . . . . 0.0 110.12 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . 0.725 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.2 tp -85.45 98.61 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -69.92 -31.27 68.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.088 -0.383 . . . . 0.0 111.156 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.4 177.34 31.4 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 123.567 0.603 . . . . 0.0 112.885 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -111.33 152.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.951 0.501 . . . . 0.0 110.842 176.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -130.65 78.52 1.85 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.656 1.183 . . . . 0.0 108.895 170.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.17 -119.43 5.03 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.67 8.83 43.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.387 0.675 . . . . 0.0 110.821 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -98.93 151.97 20.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.674 0.789 . . . . 0.0 110.198 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.94 109.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 123.702 0.801 . . . . 0.0 108.94 -169.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.75 116.75 22.84 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.317 1.047 . . . . 0.0 109.175 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.725 HG22 ' HA ' ' B' ' 22' ' ' ILE . 5.7 pt -134.89 141.88 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.257 0.623 . . . . 0.0 111.403 -177.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.18 141.76 15.58 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 124.123 0.868 . . . . 0.0 111.539 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.4 mt -119.53 131.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.036 0.935 . . . . 0.0 108.933 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -131.1 75.7 1.67 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.532 -167.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 157.48 56.93 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.673 175.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.18 154.88 43.09 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 121.904 1.736 . . . . 0.0 110.884 169.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -66.6 -0.75 3.04 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.43 0.692 . . . . 0.0 112.274 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.9 -27.4 68.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.163 1.385 . . . . 0.0 111.431 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -108.81 144.06 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.513 1.125 . . . . 0.0 110.303 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.41 142.06 28.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.452 0.644 . . . . 0.0 111.497 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.2 t -142.84 95.07 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.23 -166.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -146.67 163.76 34.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.905 0.882 . . . . 0.0 110.858 175.242 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.51 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.5 ptt180 -76.94 161.32 28.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.241 0.616 . . . . 0.0 112.608 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -54.82 -40.06 69.17 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.702 0.801 . . . . 0.0 112.229 -171.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.45 -24.27 67.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.511 -0.743 . . . . 0.0 112.692 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -88.08 -47.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.18 0.992 . . . . 0.0 110.464 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -50.91 -36.97 41.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.237 1.415 . . . . 0.0 112.169 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.65 -23.32 63.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.3 mpt_? -78.97 -39.01 35.53 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 118.932 0.787 . . . . 0.0 110.456 170.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.503 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.0 mt -65.65 -41.15 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.503 ' NE2' HG22 ' B' ' 51' ' ' ILE . 34.7 mm-40 -79.17 4.98 13.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.04 -20.02 46.24 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.93 -0.481 . . . . 0.0 111.505 168.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.04 46.41 0.07 OUTLIER Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.38 -0.678 . . . . 0.0 114.531 168.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.04 -175.67 2.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.017 0.908 . . . . 0.0 113.074 -168.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -125.94 -179.92 4.91 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.465 1.506 . . . . 0.0 109.015 167.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.33 121.4 1.33 Allowed Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 124.355 1.062 . . . . 0.0 111.91 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -68.26 -175.17 0.77 Allowed 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.012 2.474 . . . . 0.0 112.951 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.717 169.186 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.82 107.43 16.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 167.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -83.22 132.16 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.583 0.753 . . . . 0.0 109.471 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 80.0 mt -125.46 134.92 51.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 169.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -93.53 150.05 20.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.32 169.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.46 ' HD3' HG13 ' C' ' 12' ' ' ILE . 21.8 ttp180 -145.99 146.92 31.18 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.558 -174.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.481 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.1 tptm -103.7 149.86 24.57 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -56.52 135.17 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.075 0.852 . . . . 0.0 112.479 -172.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -5.85 76.83 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.288 1.423 . . . . 0.0 114.608 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . 0.445 ' HB2' ' HG2' ' C' ' 6' ' ' ARG . 99.1 mt-10 -86.32 -172.33 3.99 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.456 1.628 . . . . 0.0 112.289 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.2 m -148.23 158.65 44.21 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.68 1.192 . . . . 0.0 112.903 -168.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.46 HG13 ' HD3' ' C' ' 6' ' ' ARG . 44.1 mt -135.78 157.66 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 C-N-CA 127.327 2.251 . . . . 0.0 108.192 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -128.08 146.5 50.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.711 0.805 . . . . 0.0 111.612 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -132.06 137.33 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.619 1.168 . . . . 0.0 108.73 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -135.07 51.8 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.12 5.67 9.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.018 0.927 . . . . 0.0 111.785 172.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.19 -8.27 4.8 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.8 135.8 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 118.68 0.673 . . . . 0.0 110.596 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -121.94 137.9 54.62 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.604 1.161 . . . . 0.0 109.167 169.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -116.51 141.14 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -131.29 136.81 48.47 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.303 0.501 . . . . 0.0 110.449 -173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 tp -94.46 111.85 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . 0.406 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.9 mt -90.01 -33.91 16.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.42 -168.08 39.24 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-O 120.186 -0.23 . . . . 0.0 113.094 167.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.86 163.98 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 CA-C-O 121.541 0.686 . . . . 0.0 111.86 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 m -146.85 69.95 1.19 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 108.655 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.04 -109.14 2.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -168.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.44 -6.38 30.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . 0.478 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -93.97 160.02 14.91 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 122.05 0.929 . . . . 0.0 111.969 171.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.01 117.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' C' ' 23' ' ' LEU . 13.5 ttm180 -75.83 107.28 7.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 170.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -110.65 133.49 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.161 1.384 . . . . 0.0 109.118 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.69 142.02 15.39 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.576 1.084 . . . . 0.0 111.867 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -132.27 114.65 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.89 1.276 . . . . 0.0 107.675 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -123.34 98.56 5.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 110.234 -168.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.44 62.79 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 124.474 1.11 . . . . 0.0 109.805 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.27 151.28 80.18 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.625 2.216 . . . . 0.0 111.222 171.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -64.36 -0.94 1.44 Allowed 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.693 0.797 . . . . 0.0 112.745 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.89 -23.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.345 1.058 . . . . 0.0 111.569 169.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -120.44 146.21 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.082 0.953 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 152.1 23.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.784 0.434 . . . . 0.0 111.054 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -136.52 133.49 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.068 0.547 . . . . 0.0 109.711 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -153.71 158.43 41.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.994 0.518 . . . . 0.0 111.606 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -72.04 155.09 40.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 166.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.75 -30.86 69.15 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.66 -45.45 81.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.877 0.871 . . . . 0.0 111.69 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -88.95 -30.89 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.252 0.621 . . . . 0.0 110.609 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -50.91 -38.82 52.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.469 0.708 . . . . 0.0 112.164 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.15 -32.35 68.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.634 0.774 . . . . 0.0 112.267 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -70.15 -39.13 75.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.191 0.596 . . . . 0.0 111.804 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp . . . . . 0 N--CA 1.454 -0.244 0 CA-C-N 118.039 0.381 . . . . 0.0 110.047 177.883 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 7.6 ttp . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.521 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -116.83 119.41 35.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.645 1.178 . . . . 0.0 109.553 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.24 136.13 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.296 1.038 . . . . 0.0 110.013 -169.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.5 164.68 28.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.004 1.322 . . . . 0.0 111.607 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -106.59 115.02 29.47 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 164.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.13 127.31 53.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.692 0.797 . . . . 0.0 110.147 172.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 66.6 mttt -83.81 156.17 22.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.928 0.785 . . . . 0.0 111.356 170.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.05 134.04 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.326 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.94 -5.63 72.6 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.58 1.086 . . . . 0.0 114.226 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -95.23 179.08 5.31 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.854 1.327 . . . . 0.0 112.013 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -137.82 158.18 44.9 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -169.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.8 mt -137.08 159.95 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 127.262 2.225 . . . . 0.0 108.386 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -134.92 149.72 50.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.662 0.785 . . . . 0.0 112.284 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -134.56 136.26 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.951 1.301 . . . . 0.0 108.963 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.77 -135.92 51.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -176.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.45 5.51 9.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.774 0.83 . . . . 0.0 112.151 174.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -128.81 -10.89 4.91 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -172.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.61 135.96 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.833 0.742 . . . . 0.0 110.865 -170.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.1 m -122.3 145.45 48.23 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.764 1.226 . . . . 0.0 109.574 172.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.36 139.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.242 1.417 . . . . 0.0 107.98 176.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -132.33 125.81 31.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.131 0.572 . . . . 0.0 109.466 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.32 100.42 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 mt -75.29 -31.96 60.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.124 0.57 . . . . 0.0 110.689 -169.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.16 -172.33 42.17 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 122.16 -0.067 . . . . 0.0 113.259 172.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -117.55 160.17 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.806 0.842 . . . . 0.0 110.446 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -144.24 78.4 1.58 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.661 0.784 . . . . 0.0 109.075 169.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.96 -114.76 3.89 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -174.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . 0.481 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -94.08 -5.85 46.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.33 0.652 . . . . 0.0 110.266 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -73.26 153.04 40.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.8 0.81 . . . . 0.0 111.726 169.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.1 118.67 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 126.33 1.852 . . . . 0.0 106.514 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -93.1 114.42 26.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -122.17 123.93 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.222 0.609 . . . . 0.0 110.241 -168.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.74 133.35 11.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.91 139.31 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -135.28 89.92 2.57 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.92 154.52 49.64 Favored Pre-proline 0 N--CA 1.45 -0.44 0 C-N-CA 124.725 1.21 . . . . 0.0 108.4 171.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -55.53 143.1 79.71 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 121.318 1.345 . . . . 0.0 109.535 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -65.93 -7.59 17.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.381 0.672 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.98 -22.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.135 1.774 . . . . 0.0 112.773 169.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.77 160.05 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 124.091 0.956 . . . . 0.0 110.57 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.11 157.04 16.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.09 124.4 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.92 0.888 . . . . 0.0 109.66 168.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -150.02 163.56 37.82 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.956 0.902 . . . . 0.0 111.13 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -65.87 158.14 28.69 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.852 -0.53 . . . . 0.0 110.042 168.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.52 -24.56 67.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.567 0.747 . . . . 0.0 112.186 -177.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.78 -51.14 61.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.523 -0.736 . . . . 0.0 111.022 169.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -69.1 -35.07 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.274 1.03 . . . . 0.0 109.855 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.13 -45.67 86.92 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.785 -0.572 . . . . 0.0 111.022 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.59 -24.75 65.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.123 0.569 . . . . 0.0 112.458 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -45.21 83.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.191 0.996 . . . . 0.0 109.659 172.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 59.0 mt . . . . . 0 N--CA 1.451 -0.41 0 C-N-CA 124.461 1.104 . . . . 0.0 110.91 -173.09 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 tt -107.63 134.24 50.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 110.1 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.97 139.01 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.504 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 mt -136.24 165.02 26.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.805 1.642 . . . . 0.0 110.499 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . 0.551 HG22 ' HG3' ' F' ' 29' ' ' GLN . 2.6 m -129.41 101.34 5.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 167.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.95 132.7 50.86 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.315 1.046 . . . . 0.0 111.396 -172.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -79.64 155.38 28.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.478 0.711 . . . . 0.0 111.15 171.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . 0.821 HG11 HG12 ' E' ' 25' ' ' VAL . 31.1 m -60.03 139.28 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.6 -3.78 86.15 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-O 119.004 -0.887 . . . . 0.0 113.967 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.86 176.69 6.03 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.967 1.384 . . . . 0.0 111.758 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -135.28 157.94 45.64 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -168.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -136.84 157.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 126.648 1.979 . . . . 0.0 107.956 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -137.07 150.01 47.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.281 -0.887 . . . . 0.0 112.939 -173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.6 138.98 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.802 1.241 . . . . 0.0 109.173 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 -134.96 49.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -127.21 10.07 6.81 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.114 0.965 . . . . 0.0 111.706 170.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.12 -5.84 2.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -119.48 134.26 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.737 0.699 . . . . 0.0 110.557 -174.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -123.49 141.89 51.55 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.216 1.006 . . . . 0.0 109.923 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.98 137.58 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.204 1.402 . . . . 0.0 107.992 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -130.91 128.03 39.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -83.78 101.35 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 170.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.13 -33.1 69.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.855 0.462 . . . . 0.0 110.457 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.74 -167.31 38.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . 0.821 HG12 HG11 ' E' ' 8' ' ' VAL . 10.1 p -145.92 136.1 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.302 1.041 . . . . 0.0 112.082 -166.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -150.14 127.57 11.47 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.93 0.892 . . . . 0.0 110.62 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.6 42.7 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . 0.487 ' HA ' HG11 ' F' ' 25' ' ' VAL . 17.2 mm100 -90.25 -13.42 35.43 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.025 0.53 . . . . 0.0 111.45 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -80.7 144.62 32.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.762 1.225 . . . . 0.0 111.575 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -138.44 116.73 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -170.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -80.48 113.62 18.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.21 130.64 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 110.2 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.76 15.71 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 124.472 1.034 . . . . 0.0 111.488 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.69 126.99 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.632 1.173 . . . . 0.0 108.919 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -128.44 98.99 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.43 72.56 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.553 1.141 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.99 158.94 36.19 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.838 2.358 . . . . 0.0 112.084 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -68.57 -0.87 5.63 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 123.569 0.748 . . . . 0.0 112.584 169.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.98 -24.5 67.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.845 1.258 . . . . 0.0 111.59 169.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.74 153.93 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.267 1.027 . . . . 0.0 110.451 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.9 154.6 20.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.325 172.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.1 127.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.705 0.402 . . . . 0.0 110.503 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -150.59 165.46 33.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.284 1.034 . . . . 0.0 110.131 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ptt85 -77.95 161.99 27.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.806 -0.559 . . . . 0.0 109.617 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.44 -26.84 61.8 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.53 -47.29 82.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.121 0.968 . . . . 0.0 111.54 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.49 -34.31 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 123.184 0.594 . . . . 0.0 109.909 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -50.34 -35.87 29.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.921 0.888 . . . . 0.0 112.795 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -60.47 -21.93 62.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.172 0.989 . . . . 0.0 112.759 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -73.14 -49.37 28.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . 0.492 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.4 mp -64.3 -23.03 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.07 1.348 . . . . 0.0 110.823 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 . . . . . 0 N--CA 1.454 -0.254 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 169.887 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.753 -0.091 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.04 148.44 25.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.075 0.55 . . . . 0.0 111.51 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.31 138.22 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.596 0.758 . . . . 0.0 109.831 172.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -133.2 161.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.967 1.307 . . . . 0.0 110.428 177.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 101.01 7.42 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.7 131.45 53.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.16 1.384 . . . . 0.0 110.134 -174.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -99.15 166.01 11.44 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.683 1.128 . . . . 0.0 112.969 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . 0.689 HG11 HG12 ' F' ' 25' ' ' VAL . 4.3 m -52.41 139.31 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -7.68 79.55 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.21 0.91 . . . . 0.0 113.882 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -91.79 165.75 13.11 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.578 1.189 . . . . 0.0 111.688 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -128.35 155.26 44.95 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -136.43 159.44 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.951 2.1 . . . . 0.0 107.661 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.38 148.98 46.62 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.495 -0.753 . . . . 0.0 112.558 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 mt -136.19 140.82 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.621 1.168 . . . . 0.0 109.093 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.68 -139.04 48.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.69 10.14 11.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.998 0.919 . . . . 0.0 111.851 170.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.94 -16.91 1.43 Allowed 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.55 137.1 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 119.072 0.851 . . . . 0.0 110.643 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -124.15 141.3 52.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.072 0.949 . . . . 0.0 110.202 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.32 137.72 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.321 1.448 . . . . 0.0 108.025 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -136.16 130.07 32.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.862 0.465 . . . . 0.0 109.932 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.64 112.73 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -84.43 -27.65 27.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.032 0.533 . . . . 0.0 111.305 -172.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.66 -177.01 36.35 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 122.909 0.29 . . . . 0.0 113.626 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . 0.689 HG12 HG11 ' F' ' 8' ' ' VAL . 2.6 p -135.05 136.07 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 124.299 1.04 . . . . 0.0 111.854 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -140.91 89.98 2.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.038 1.335 . . . . 0.0 109.623 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.39 -130.45 40.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.85 -20.19 60.5 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.106 0.562 . . . . 0.0 111.838 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . 0.551 ' HG3' HG22 ' E' ' 5' ' ' THR . 31.6 tt0 -87.73 129.08 35.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.762 0.825 . . . . 0.0 110.322 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.0 123.05 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -87.89 127.18 35.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.87 142.0 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.586 0.755 . . . . 0.0 110.408 -168.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.85 142.17 14.44 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 123.968 0.794 . . . . 0.0 111.646 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.01 138.87 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.605 1.162 . . . . 0.0 109.614 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -131.84 106.82 8.33 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.013 0.925 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.82 157.86 76.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 124.186 0.994 . . . . 0.0 111.306 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.72 162.07 33.19 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 122.982 2.455 . . . . 0.0 112.172 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -71.71 -4.25 26.42 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.428 0.691 . . . . 0.0 112.529 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.76 -20.64 64.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.677 1.191 . . . . 0.0 112.361 171.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -127.07 163.93 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.949 0.9 . . . . 0.0 111.025 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.82 161.02 13.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.36 0.664 . . . . 0.0 111.23 171.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.03 126.19 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.413 0.685 . . . . 0.0 110.258 170.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -152.67 175.2 13.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.313 1.045 . . . . 0.0 110.028 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.97 162.91 26.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.776 -0.578 . . . . 0.0 109.843 168.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.5 -29.87 69.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.888 0.475 . . . . 0.0 112.176 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.72 -45.27 77.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.107 0.963 . . . . 0.0 111.709 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.04 -31.56 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.664 0.786 . . . . 0.0 110.249 -170.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -49.81 -35.67 23.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.392 1.077 . . . . 0.0 112.747 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -59.64 -22.0 61.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.132 0.973 . . . . 0.0 112.617 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.48 -49.03 28.84 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.133 0.573 . . . . 0.0 109.476 174.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.501 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.1 mp . . . . . 0 N--CA 1.454 -0.233 0 C-N-CA 125.242 1.417 . . . . 0.0 110.732 -177.449 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 ttp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.7 113.02 24.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.544 0.737 . . . . 0.0 109.783 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.06 134.97 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.572 0.749 . . . . 0.0 109.269 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -131.86 166.75 20.9 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.212 1.005 . . . . 0.0 109.724 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -126.98 132.95 50.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.774 0.83 . . . . 0.0 108.804 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -125.9 170.46 11.64 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.744 0.817 . . . . 0.0 109.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -132.18 158.11 42.56 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.525 HG13 ' HA2' ' A' ' 24' ' ' GLY . 67.3 t -46.45 123.96 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 120.623 0.249 . . . . 0.0 111.037 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.26 -4.82 58.76 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.567 1.08 . . . . 0.0 114.388 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -96.0 172.39 8.03 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.764 1.282 . . . . 0.0 112.284 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -141.2 160.49 39.99 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -168.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.9 mm -132.96 155.34 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 126.839 2.055 . . . . 0.0 108.12 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -129.24 144.21 51.14 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.407 1.083 . . . . 0.0 111.015 -177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -135.84 127.82 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.769 0.828 . . . . 0.0 109.548 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.96 -131.24 48.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -173.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.42 4.99 5.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.888 0.875 . . . . 0.0 112.723 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -121.37 -17.67 7.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.35 135.83 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 119.071 0.85 . . . . 0.0 110.856 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -131.28 143.17 50.35 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.437 1.095 . . . . 0.0 109.945 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -122.08 143.92 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.166 1.386 . . . . 0.0 108.729 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -139.21 132.95 30.68 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.504 0.722 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -84.56 98.88 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.45 -28.89 63.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.075 -0.39 . . . . 0.0 110.167 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 174.61 -178.06 46.52 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 123.476 0.56 . . . . 0.0 113.259 169.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.22 146.94 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.801 0.84 . . . . 0.0 110.912 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.9 m -138.02 63.45 1.54 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.776 1.23 . . . . 0.0 110.294 -169.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -121.49 8.09 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.27 -5.67 54.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.097 0.559 . . . . 0.0 111.787 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.99 157.67 16.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.665 0.745 . . . . 0.0 111.995 170.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.22 128.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.903 1.681 . . . . 0.0 108.959 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -109.44 101.95 10.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.362 0.665 . . . . 0.0 110.705 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -116.02 136.34 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.445 1.098 . . . . 0.0 110.474 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.25 143.3 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.306 0.955 . . . . 0.0 111.831 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.31 138.43 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.637 1.575 . . . . 0.0 108.308 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -127.22 75.03 1.55 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.593 1.157 . . . . 0.0 109.161 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.27 154.39 42.91 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.417 1.487 . . . . 0.0 110.582 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.46 155.49 55.18 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.529 2.153 . . . . 0.0 110.677 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -68.54 -2.56 9.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.92 -30.65 71.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.914 0.886 . . . . 0.0 111.26 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -119.99 144.01 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 122.025 0.916 . . . . 0.0 111.74 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.09 143.02 37.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.327 1.051 . . . . 0.0 111.51 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.38 116.33 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 C-N-CA 123.344 0.657 . . . . 0.0 109.381 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.444 ' CG ' HD11 ' A' ' 51' ' ' ILE . 70.7 m-70 -150.91 156.87 42.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' B' ' 12' ' ' ILE . 2.2 ptm85 -78.32 152.8 32.2 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.659 0.784 . . . . 0.0 112.074 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.85 -27.3 67.42 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.981 0.513 . . . . 0.0 112.124 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -68.12 -13.08 61.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.85 0.86 . . . . 0.0 112.574 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.46 -23.3 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.969 1.308 . . . . 0.0 111.048 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.39 -31.0 71.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.4 -0.812 . . . . 0.0 110.252 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -73.55 -12.05 60.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.811 0.844 . . . . 0.0 111.832 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.57 -33.74 31.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.483 1.113 . . . . 0.0 110.793 169.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.608 HG22 HE21 ' A' ' 52' ' ' GLN . 42.4 mt -65.46 -51.96 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.355 1.062 . . . . 0.0 109.007 178.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.608 HE21 HG22 ' A' ' 51' ' ' ILE . 77.8 mm-40 . . . . . 0 N--CA 1.453 -0.324 0 C-N-CA 123.562 0.745 . . . . 0.0 112.053 -174.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 119.397 -0.335 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -110.92 120.2 41.59 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.983 1.313 . . . . 0.0 107.801 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -117.45 140.08 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -165.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -132.74 135.4 45.72 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.576 1.15 . . . . 0.0 110.898 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -105.22 104.39 14.11 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 27.9 mtm-85 -112.63 173.14 6.52 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.829 1.252 . . . . 0.0 110.065 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -114.7 166.96 11.18 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 118.182 0.446 . . . . 0.0 111.866 169.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.57 132.65 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.456 0.646 . . . . 0.0 111.178 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -1.35 71.35 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 114.609 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -76.68 159.74 29.96 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.251 1.525 . . . . 0.0 112.305 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -134.91 141.21 46.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.656 1.183 . . . . 0.0 110.548 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 44' ' ' ARG . 41.2 mm -132.56 151.31 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 125.951 1.7 . . . . 0.0 109.153 -172.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -126.95 143.06 51.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.283 1.033 . . . . 0.0 111.015 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -132.51 131.28 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.001 0.921 . . . . 0.0 109.631 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -133.78 52.6 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.08 5.03 5.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.801 . . . . 0.0 112.784 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -113.04 -19.29 11.94 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.98 136.95 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.015 0.825 . . . . 0.0 111.755 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -131.66 149.84 52.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.87 1.268 . . . . 0.0 109.766 169.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -132.0 144.64 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 126.124 1.77 . . . . 0.0 108.345 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -137.92 130.45 29.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.064 0.546 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.78 103.39 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -73.68 -32.41 63.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.126 -0.359 . . . . 0.0 110.649 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.25 176.66 35.48 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 172.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.03 146.23 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 75.8 m -120.18 75.28 1.09 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 169.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.62 -118.41 4.74 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.64 -174.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.17 8.29 43.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.323 0.649 . . . . 0.0 111.045 173.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.99 160.16 14.46 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.147 0.979 . . . . 0.0 110.334 170.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -142.92 115.0 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.34 1.056 . . . . 0.0 109.421 -168.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.15 120.72 32.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.267 1.427 . . . . 0.0 109.635 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.4 130.01 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.215 1.006 . . . . 0.0 110.258 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.44 141.56 15.63 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -126.59 132.15 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.756 0.823 . . . . 0.0 109.201 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.85 74.9 1.6 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.327 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.8 48.93 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.22 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -57.0 153.49 37.96 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 121.744 1.629 . . . . 0.0 110.882 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -68.19 -0.81 5.04 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.271 0.628 . . . . 0.0 112.14 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.86 -27.31 68.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.929 1.691 . . . . 0.0 112.428 170.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.32 144.11 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.315 1.046 . . . . 0.0 110.567 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.92 141.55 30.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.589 0.709 . . . . 0.0 112.055 170.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -145.81 101.77 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.294 -166.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -147.98 166.86 26.43 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.605 0.762 . . . . 0.0 111.155 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 13.8 ptt180 -70.52 159.92 33.41 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.555 0.742 . . . . 0.0 112.015 169.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -53.39 -45.22 69.21 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 123.667 0.787 . . . . 0.0 112.433 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -69.15 -3.33 13.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mm -107.29 -49.07 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.417 1.087 . . . . 0.0 110.434 170.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -46.04 -43.6 14.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.609 1.164 . . . . 0.0 111.037 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.14 -15.46 59.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.071 1.349 . . . . 0.0 113.967 -169.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -91.15 -31.65 16.13 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.877 0.762 . . . . 0.0 111.755 175.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.78 -62.09 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.467 1.107 . . . . 0.0 112.911 -166.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.81 0.48 2.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.774 -0.579 . . . . 0.0 112.543 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -71.72 -18.83 62.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.384 0.674 . . . . 0.0 111.855 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.39 31.9 0.09 OUTLIER Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.132 -0.815 . . . . 0.0 114.931 168.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -168.45 -173.02 1.84 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.494 1.147 . . . . 0.0 112.705 -167.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p -134.67 -168.41 2.15 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.923 1.289 . . . . 0.0 109.965 169.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.27 120.91 1.98 Allowed Pre-proline 0 N--CA 1.454 -0.269 0 C-N-CA 124.234 1.014 . . . . 0.0 111.082 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -62.96 161.53 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 121.786 1.657 . . . . 0.0 114.498 -168.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 125.788 1.635 . . . . 0.0 113.352 -175.571 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.794 -0.622 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.76 109.88 20.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.157 0.983 . . . . 0.0 108.394 169.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.49 136.2 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.733 0.813 . . . . 0.0 109.797 176.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.72 134.95 47.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.161 0.984 . . . . 0.0 109.912 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.3 p -85.9 144.13 27.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . 0.441 ' HD3' HG13 ' C' ' 12' ' ' ILE . 24.8 ttp180 -145.68 140.17 27.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.544 0.338 . . . . 0.0 110.381 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -109.52 148.88 30.46 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -53.09 135.54 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.52 -8.2 77.16 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.563 1.554 . . . . 0.0 114.351 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -85.52 -177.77 6.51 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.304 1.552 . . . . 0.0 112.457 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -148.39 160.49 42.97 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -167.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . 0.441 HG13 ' HD3' ' C' ' 6' ' ' ARG . 57.7 mt -138.4 156.18 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 127.413 2.285 . . . . 0.0 108.922 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -126.52 146.66 50.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.047 1.339 . . . . 0.0 111.215 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -133.17 133.81 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.288 1.035 . . . . 0.0 108.908 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -135.02 50.3 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -169.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.65 10.06 6.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.886 0.874 . . . . 0.0 112.255 169.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -117.6 -14.87 10.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.022 0.929 . . . . 0.0 113.179 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.44 135.29 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.904 0.774 . . . . 0.0 110.698 -172.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -132.71 146.3 51.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.227 1.411 . . . . 0.0 108.776 174.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.14 140.59 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.356 0.663 . . . . 0.0 109.474 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -124.91 135.65 53.05 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.145 0.978 . . . . 0.0 110.638 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.86 109.16 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 168.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -85.46 -35.45 21.22 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.868 -0.52 . . . . 0.0 109.733 -172.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.32 -173.12 44.78 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.979 -0.153 . . . . 0.0 112.906 168.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.85 158.39 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.061 0.544 . . . . 0.0 110.765 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -138.79 67.8 1.39 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.053 1.341 . . . . 0.0 108.529 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.03 -110.36 3.02 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.2 -9.64 32.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.191 0.996 . . . . 0.0 112.103 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.3 158.08 34.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.868 0.842 . . . . 0.0 111.882 169.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.97 114.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -79.4 112.38 16.58 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 mt -115.83 133.38 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.917 1.287 . . . . 0.0 109.255 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 126.64 7.97 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 123.611 0.624 . . . . 0.0 111.759 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -107.87 123.82 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.36 1.064 . . . . 0.0 108.73 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -115.37 97.15 6.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.982 0.913 . . . . 0.0 109.972 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.8 154.79 80.66 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.009 0.924 . . . . 0.0 110.029 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.31 155.13 48.08 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.882 2.388 . . . . 0.0 111.298 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . 0.402 ' HE3' ' CA ' ' C' ' 38' ' ' LYS . 0.0 OUTLIER -70.59 -0.94 9.62 Favored 'General case' 0 CA--C 1.527 0.063 0 O-C-N 121.986 -0.446 . . . . 0.0 111.553 175.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.86 -23.72 66.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.867 1.267 . . . . 0.0 111.689 171.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.56 147.46 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.913 0.885 . . . . 0.0 110.559 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.96 153.9 21.86 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.607 0.363 . . . . 0.0 111.281 175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -135.48 138.75 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.996 0.518 . . . . 0.0 109.793 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -155.49 156.37 35.11 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.758 0.823 . . . . 0.0 110.594 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -67.02 156.0 37.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 166.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.68 -29.99 71.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.94 0.791 . . . . 0.0 111.285 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.79 -24.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.518 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.25 -36.68 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.544 0.738 . . . . 0.0 110.617 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -53.88 -35.45 61.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.555 1.142 . . . . 0.0 112.073 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.14 -24.41 67.15 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.322 0.649 . . . . 0.0 112.612 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -71.3 -39.77 71.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.251 0.62 . . . . 0.0 111.793 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.455 -0.2 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.357 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . 0.521 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.5 tpp . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -109.97 107.08 16.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.102 0.961 . . . . 0.0 109.769 174.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . 0.521 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -98.21 142.36 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.922 1.289 . . . . 0.0 110.161 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.81 164.94 28.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.312 1.445 . . . . 0.0 111.612 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -117.78 116.84 27.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.494 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.9 OUTLIER -119.38 142.56 48.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 169.16 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -92.7 163.99 13.55 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.919 0.137 . . . . 0.0 110.934 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . 0.544 HG11 HG12 ' D' ' 25' ' ' VAL . 27.6 m -49.67 139.18 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.44 -3.03 85.3 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.208 0.909 . . . . 0.0 114.125 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -91.77 173.41 7.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.676 1.238 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -139.08 164.49 29.64 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.748 0.819 . . . . 0.0 112.768 -173.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . 0.494 HD11 ' HG3' ' D' ' 6' ' ' ARG . 5.9 mt -153.24 163.2 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.554 2.341 . . . . 0.0 108.215 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -141.09 150.3 42.72 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.516 1.126 . . . . 0.0 112.237 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -136.81 136.83 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.07 1.348 . . . . 0.0 108.958 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.85 -135.79 51.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -123.46 3.79 9.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.81 0.844 . . . . 0.0 112.243 174.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.06 -4.95 3.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.77 136.33 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.762 0.71 . . . . 0.0 110.639 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -131.27 145.99 52.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.77 1.228 . . . . 0.0 109.719 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -128.46 144.79 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 125.021 1.328 . . . . 0.0 108.438 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -137.13 130.97 31.97 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.861 0.864 . . . . 0.0 109.166 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -86.56 108.87 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.7 mt -81.95 -31.55 31.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.283 0.633 . . . . 0.0 110.774 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.79 -178.86 44.62 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 121.03 0.239 . . . . 0.0 113.116 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . 0.544 HG12 HG11 ' D' ' 8' ' ' VAL . 7.3 p -125.31 137.15 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.536 1.135 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -138.31 75.73 1.54 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.014 1.326 . . . . 0.0 109.991 -169.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.95 -119.83 5.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.83 -16.47 53.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.373 1.069 . . . . 0.0 110.489 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.9 158.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 122.298 1.047 . . . . 0.0 112.561 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -137.65 120.96 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.207 1.803 . . . . 0.0 106.878 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -94.95 113.04 24.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.857 0.863 . . . . 0.0 108.787 -176.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.63 126.43 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.539 0.736 . . . . 0.0 110.711 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.12 140.6 15.15 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.039 0.828 . . . . 0.0 111.16 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -129.28 142.21 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.927 0.891 . . . . 0.0 108.703 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -138.06 105.93 5.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.295 0.638 . . . . 0.0 109.296 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.06 155.23 74.56 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 124.187 0.995 . . . . 0.0 109.344 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -60.64 151.51 75.47 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.133 1.888 . . . . 0.0 110.514 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.42 -0.92 2.11 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 169.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.86 -19.94 66.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.971 1.308 . . . . 0.0 111.3 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -131.12 157.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.582 1.153 . . . . 0.0 110.508 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.38 156.99 16.46 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.964 0.506 . . . . 0.0 111.942 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.41 128.88 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 122.876 0.47 . . . . 0.0 110.499 169.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -153.47 167.26 30.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.445 0.698 . . . . 0.0 112.087 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -66.37 161.28 22.88 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.896 0.479 . . . . 0.0 109.967 168.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.63 -39.04 92.56 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.784 -0.573 . . . . 0.0 112.183 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -54.09 -45.57 71.84 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.556 0.743 . . . . 0.0 111.266 171.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 19.2 mm -79.92 -40.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 124.276 1.03 . . . . 0.0 110.86 -169.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -49.24 -36.19 19.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.023 1.329 . . . . 0.0 111.988 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -63.86 -22.24 66.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.268 1.027 . . . . 0.0 113.015 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -83.3 -31.94 26.6 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.709 1.14 . . . . 0.0 110.752 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.703 HD12 ' N ' ' D' ' 51' ' ' ILE . 2.8 mp . . . . . 0 N--CA 1.455 -0.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.273 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 tt -127.49 122.87 34.57 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.053 0.941 . . . . 0.0 109.54 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mm -106.68 138.36 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.304 1.042 . . . . 0.0 109.841 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt -137.46 165.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.91 1.284 . . . . 0.0 111.567 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.1 105.99 7.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 166.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.38 126.72 55.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.562 1.545 . . . . 0.0 109.722 -171.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -91.47 165.77 13.2 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 119.741 1.155 . . . . 0.0 112.387 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.95 138.99 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -3.21 87.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.889 0.757 . . . . 0.0 114.097 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -92.39 172.65 8.25 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.6 1.2 . . . . 0.0 111.334 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.3 m -139.94 165.67 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -169.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -149.99 156.94 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.369 2.268 . . . . 0.0 107.964 -169.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -137.9 152.33 48.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.465 -0.772 . . . . 0.0 113.076 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.23 142.26 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.775 1.23 . . . . 0.0 108.878 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.36 -137.83 49.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 -176.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -125.58 10.01 7.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.75 0.82 . . . . 0.0 111.657 172.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.57 -4.97 2.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.53 137.12 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 118.981 0.81 . . . . 0.0 110.848 -173.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -129.11 144.38 51.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.678 1.191 . . . . 0.0 109.945 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -127.91 138.54 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.122 1.369 . . . . 0.0 108.327 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m -134.15 130.55 37.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.185 0.594 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.32 103.26 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.35 -30.01 64.32 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.024 -0.423 . . . . 0.0 111.22 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -172.6 34.89 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.181 0.419 . . . . 0.0 113.639 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.83 156.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.801 0.84 . . . . 0.0 112.0 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -143.27 89.92 2.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.126 1.37 . . . . 0.0 108.88 169.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.43 -111.95 4.59 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.587 -0.695 . . . . 0.0 111.531 -173.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -91.28 -21.06 21.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.611 0.705 . . . . 0.0 111.806 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.35 146.94 48.49 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -136.76 117.39 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -87.63 126.59 35.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.64 133.36 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.379 0.672 . . . . 0.0 110.549 -168.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.57 139.26 14.35 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.436 1.017 . . . . 0.0 111.111 171.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.1 mt -133.23 127.85 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.853 1.261 . . . . 0.0 108.736 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -131.23 98.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.96 154.16 81.94 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.895 1.278 . . . . 0.0 109.515 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -57.05 151.59 49.3 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 121.943 1.762 . . . . 0.0 111.528 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -66.98 -5.26 12.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.078 0.951 . . . . 0.0 111.922 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.81 -28.25 68.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.573 1.949 . . . . 0.0 112.769 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -113.57 163.58 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.894 0.878 . . . . 0.0 110.627 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.36 153.91 17.45 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.99 126.47 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.305 0.642 . . . . 0.0 110.486 169.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -151.77 169.19 22.83 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.494 1.118 . . . . 0.0 109.684 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -80.03 165.66 22.33 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.604 -0.685 . . . . 0.0 110.342 169.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.46 -28.39 68.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.927 0.491 . . . . 0.0 112.153 -170.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.2 -44.32 95.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.241 1.016 . . . . 0.0 112.355 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -88.12 -28.38 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.66 0.784 . . . . 0.0 110.02 -170.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -53.43 -35.61 60.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.888 0.875 . . . . 0.0 112.154 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.66 -21.8 63.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.81 -26.13 65.02 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.797 0.726 . . . . 0.0 110.599 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -90.6 -39.68 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.48 1.112 . . . . 0.0 109.925 -173.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 . . . . . 0 N--CA 1.455 -0.222 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 177.848 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.08 146.89 25.09 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.149 0.58 . . . . 0.0 110.953 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.8 135.67 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.467 0.707 . . . . 0.0 109.25 171.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.48 164.84 23.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.979 1.312 . . . . 0.0 110.619 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 101.88 5.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 168.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' F' ' 12' ' ' ILE . 0.8 OUTLIER -115.04 140.92 48.66 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.409 1.084 . . . . 0.0 111.033 -177.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -92.55 172.84 8.11 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -60.66 139.49 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.315 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.93 -2.14 87.78 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 123.97 0.795 . . . . 0.0 113.868 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -88.29 173.19 8.91 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.585 1.193 . . . . 0.0 112.112 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -137.41 153.99 50.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.782 0.833 . . . . 0.0 112.144 -173.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . 0.42 HD11 ' HG3' ' F' ' 6' ' ' ARG . 26.3 mt -140.87 151.18 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 125.687 1.595 . . . . 0.0 108.609 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -125.86 147.1 49.55 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.781 0.832 . . . . 0.0 111.576 -173.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -134.75 137.46 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.414 1.086 . . . . 0.0 109.187 173.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.57 -135.0 52.14 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -173.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -128.71 10.07 6.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.063 0.945 . . . . 0.0 112.34 171.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.12 -15.78 4.66 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.78 133.73 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.07 0.85 . . . . 0.0 110.525 -172.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -128.76 142.63 50.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.017 0.927 . . . . 0.0 110.5 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.1 mm -121.46 140.34 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.32 1.448 . . . . 0.0 108.615 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.61 131.83 40.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.591 0.756 . . . . 0.0 109.844 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -89.95 114.77 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.07 -27.75 24.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.032 0.533 . . . . 0.0 111.111 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 -171.95 34.42 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 113.898 0.319 . . . . 0.0 113.898 170.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -124.52 159.65 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.623 0.769 . . . . 0.0 112.221 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.51 90.06 1.69 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.916 1.286 . . . . 0.0 109.074 169.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.27 -111.72 3.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -174.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -91.14 -21.82 20.99 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.454 0.627 . . . . 0.0 111.722 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -73.36 142.36 47.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.164 0.586 . . . . 0.0 110.099 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.33 114.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -85.71 126.16 33.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.31 143.42 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.066 0.947 . . . . 0.0 110.183 -168.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.41 140.6 15.88 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 124.149 0.881 . . . . 0.0 111.527 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.48 135.7 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.603 1.161 . . . . 0.0 109.351 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -132.91 106.35 7.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.642 0.777 . . . . 0.0 109.744 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 158.68 75.07 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 123.993 0.917 . . . . 0.0 111.364 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -64.4 162.03 32.24 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.04 2.493 . . . . 0.0 112.329 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.74 -4.54 12.64 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 169.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -65.8 -23.01 66.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.356 1.463 . . . . 0.0 112.328 173.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -127.68 163.62 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.226 1.01 . . . . 0.0 111.305 -174.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.58 163.42 13.39 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.311 0.644 . . . . 0.0 111.262 169.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.08 130.11 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.45 0.7 . . . . 0.0 110.216 171.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -153.13 170.77 19.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.15 0.98 . . . . 0.0 110.083 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -76.14 158.56 31.61 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 167.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.94 -22.48 67.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.843 -0.536 . . . . 0.0 112.213 -169.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -55.82 -41.57 74.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.799 0.839 . . . . 0.0 111.853 171.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.95 -34.03 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.811 0.845 . . . . 0.0 110.233 -171.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.97 -35.86 47.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.022 0.929 . . . . 0.0 112.56 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -59.34 -21.91 60.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.136 0.975 . . . . 0.0 112.877 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.77 -39.96 66.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.586 0.63 . . . . 0.0 109.787 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . 0.491 HD12 ' N ' ' F' ' 51' ' ' ILE . 1.6 mp . . . . . 0 N--CA 1.453 -0.295 0 C-N-CA 124.32 1.048 . . . . 0.0 110.207 -177.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.167 -0.444 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.74 116.09 31.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.722 0.809 . . . . 0.0 109.587 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.43 133.91 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.838 0.855 . . . . 0.0 109.779 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -135.07 155.56 50.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.738 1.215 . . . . 0.0 110.427 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 m -128.03 114.98 17.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.337 1.055 . . . . 0.0 110.366 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -138.41 149.12 45.2 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-N 119.116 0.871 . . . . 0.0 111.667 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.09 161.05 15.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.768 0.427 . . . . 0.0 111.363 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' HA2' ' A' ' 24' ' ' GLY . 68.3 t -40.11 128.5 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.241 1.016 . . . . 0.0 111.276 170.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.5 -9.25 71.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.348 0.975 . . . . 0.0 114.136 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -89.86 173.93 7.97 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.576 1.188 . . . . 0.0 111.858 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 156.0 41.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -170.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.2 mm -121.43 155.59 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 126.643 1.977 . . . . 0.0 109.7 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -125.45 140.35 52.86 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.488 1.115 . . . . 0.0 110.845 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -134.0 132.77 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.89 -128.64 26.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -128.14 -1.37 5.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.917 0.887 . . . . 0.0 112.281 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.21 -17.51 1.82 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.5 mt -106.1 137.51 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.415 0.686 . . . . 0.0 110.363 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -136.16 145.22 45.54 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.579 0.752 . . . . 0.0 109.566 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.4 mm -127.29 139.3 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.483 1.113 . . . . 0.0 108.509 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -134.61 133.43 40.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.247 0.619 . . . . 0.0 110.052 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -84.55 95.91 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -25.09 62.61 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.774 -0.579 . . . . 0.0 110.43 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.476 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.65 -167.95 40.92 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 118.145 0.429 . . . . 0.0 113.847 169.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -130.51 164.88 32.27 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 124.147 0.979 . . . . 0.0 111.505 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -147.36 74.41 1.33 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.225 1.01 . . . . 0.0 110.02 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.48 -126.1 12.47 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -84.68 9.07 14.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.319 0.559 . . . . 0.0 112.099 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -100.84 157.58 16.62 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.817 0.817 . . . . 0.0 111.279 167.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -137.8 126.78 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 125.76 1.624 . . . . 0.0 108.396 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -103.21 101.87 11.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.692 0.797 . . . . 0.0 110.231 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -108.42 129.07 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.932 1.293 . . . . 0.0 109.267 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.15 141.31 15.3 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 123.955 0.788 . . . . 0.0 111.346 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 HG21 HG11 ' A' ' 42' ' ' VAL . 62.6 mt -117.11 132.23 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 125.128 1.371 . . . . 0.0 108.317 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -122.04 74.94 1.18 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.527 1.131 . . . . 0.0 109.409 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.84 153.71 42.93 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.049 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -72.73 155.76 53.75 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.649 2.233 . . . . 0.0 110.339 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -69.36 -1.09 7.4 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.91 -31.07 71.79 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.813 0.845 . . . . 0.0 111.247 168.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.72 144.03 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 123.824 0.85 . . . . 0.0 111.561 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.02 143.04 31.84 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.837 0.855 . . . . 0.0 110.97 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 34' ' ' ILE . 29.2 m -134.31 123.79 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.227 0.611 . . . . 0.0 110.268 171.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -153.42 158.91 42.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.775 0.43 . . . . 0.0 111.761 -171.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -74.62 164.62 26.37 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.991 0.516 . . . . 0.0 110.373 167.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.79 -32.21 63.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.761 -0.587 . . . . 0.0 112.213 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -72.85 -1.34 16.37 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.355 -0.841 . . . . 0.0 113.09 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -121.83 -28.9 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.14 0.976 . . . . 0.0 111.069 175.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.26 -32.42 71.14 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.5 1.045 . . . . 0.0 110.667 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -76.77 -18.3 58.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.528 0.731 . . . . 0.0 112.094 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -78.84 -35.91 43.29 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.574 0.75 . . . . 0.0 110.99 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.436 HG22 ' NE2' ' A' ' 52' ' ' GLN . 76.4 mt -63.28 -49.76 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 109.358 174.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.436 ' NE2' HG22 ' A' ' 51' ' ' ILE . 88.1 mm-40 . . . . . 0 N--CA 1.452 -0.369 0 C-N-CA 123.752 0.821 . . . . 0.0 112.955 -176.575 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 34.9 tpp . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 119.629 -0.224 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.18 120.88 41.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 168.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 56.3 mt -118.68 140.88 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.591 . . . . 0.0 111.987 -165.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.14 145.11 47.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.044 1.337 . . . . 0.0 110.748 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -121.08 100.97 7.37 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' ARG . . . . . 0.452 ' HD3' HD11 ' B' ' 12' ' ' ILE . 23.9 mtp85 -125.57 162.7 24.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.014 0.926 . . . . 0.0 110.748 -170.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -94.08 168.59 10.85 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -61.12 136.73 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.27 0.557 . . . . 0.0 111.164 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.54 -2.01 79.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 119.192 -0.782 . . . . 0.0 114.174 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.36 154.78 22.67 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.752 1.276 . . . . 0.0 111.8 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -124.54 153.31 42.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.573 0.749 . . . . 0.0 111.841 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' B' ' 6' ' ' ARG . 38.0 mm -136.53 155.54 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 127.687 2.395 . . . . 0.0 107.687 -169.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -132.92 146.14 51.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.022 0.929 . . . . 0.0 111.167 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.94 154.23 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.463 1.105 . . . . 0.0 108.613 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.33 48.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 172.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.42 5.14 8.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.781 1.233 . . . . 0.0 109.809 166.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -125.91 3.05 7.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.184 1.794 . . . . 0.0 112.666 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.44 140.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -165.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 62.8 m -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.903 1.281 . . . . 0.0 108.016 167.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt -135.93 138.35 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.835 0.854 . . . . 0.0 109.006 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -129.55 131.36 46.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.898 0.479 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -76.47 101.38 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -70.69 -32.15 69.28 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.037 -0.415 . . . . 0.0 110.657 -175.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.18 -178.24 37.2 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 116.829 -0.169 . . . . 0.0 112.832 172.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.67 154.13 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.263 0.554 . . . . 0.0 110.667 176.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -127.91 77.67 1.77 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.034 1.334 . . . . 0.0 108.405 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.96 -116.4 4.58 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.19 10.03 39.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.219 -0.577 . . . . 0.0 111.584 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -99.01 152.3 19.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.697 1.199 . . . . 0.0 109.398 170.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.02 119.29 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.006 0.523 . . . . 0.0 110.108 -167.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.49 119.21 30.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.649 1.58 . . . . 0.0 109.683 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.05 132.76 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.151 0.981 . . . . 0.0 109.683 -170.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.95 129.03 9.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 35.3 mt -117.08 128.74 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.199 1.0 . . . . 0.0 108.898 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -133.03 74.85 1.59 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.797 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.63 158.57 33.65 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 126.293 1.837 . . . . 0.0 107.243 168.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.23 155.96 37.52 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 121.413 1.408 . . . . 0.0 109.429 168.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -0.84 6.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.868 0.867 . . . . 0.0 111.243 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.83 -23.57 66.71 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.448 1.899 . . . . 0.0 111.579 172.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.73 144.08 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.851 1.26 . . . . 0.0 110.116 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.32 141.95 31.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.404 0.621 . . . . 0.0 111.912 171.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 t -144.99 99.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.407 1.083 . . . . 0.0 109.108 -166.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -145.68 163.04 36.14 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 123.917 0.887 . . . . 0.0 111.314 178.276 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 30.5 ptt-85 -65.65 154.72 38.04 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.467 0.307 . . . . 0.0 111.001 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -55.08 -35.41 64.53 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 123.373 0.669 . . . . 0.0 112.339 -176.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.56 -52.44 38.91 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.529 0.604 . . . . 0.0 111.14 173.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mm -70.23 -44.6 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.477 1.111 . . . . 0.0 110.734 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -50.91 -38.72 51.68 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.984 0.914 . . . . 0.0 112.043 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.5 -25.94 66.11 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.3 mpt_? -77.88 -41.77 35.59 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 119.031 0.832 . . . . 0.0 110.089 172.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.501 HG22 ' NE2' ' B' ' 52' ' ' GLN . 99.1 mt -63.39 -39.56 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.169 0.587 . . . . 0.0 109.472 -175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' GLN . . . . . 0.501 ' NE2' HG22 ' B' ' 51' ' ' ILE . 23.3 mm-40 -80.34 3.38 21.31 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 174.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.34 -17.41 52.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.274 0.63 . . . . 0.0 111.685 169.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.53 48.18 0.1 Allowed Glycine 0 C--N 1.339 0.73 0 CA-C-O 119.529 -0.595 . . . . 0.0 114.118 169.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -169.04 -177.27 2.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.82 0.81 . . . . 0.0 112.717 -168.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 45.3 p -127.6 -174.95 3.32 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.471 1.509 . . . . 0.0 109.332 168.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.36 122.52 4.29 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 123.733 0.813 . . . . 0.0 111.356 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -63.32 168.47 11.08 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.357 2.038 . . . . 0.0 114.689 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 125.219 1.408 . . . . 0.0 113.108 179.444 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.422 -0.323 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 111.29 18.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.655 1.182 . . . . 0.0 108.548 169.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.21 134.63 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.454 1.102 . . . . 0.0 109.669 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.3 142.39 50.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.485 1.114 . . . . 0.0 110.432 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.0 p -99.71 140.07 34.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.28 0.632 . . . . 0.0 110.73 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -138.02 140.32 40.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.314 0.646 . . . . 0.0 110.915 173.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -76.2 155.66 34.31 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 168.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.62 132.77 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 O-C-N 121.516 -0.74 . . . . 0.0 111.243 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.55 -2.76 83.13 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.42 1.009 . . . . 0.0 113.988 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -87.81 174.32 8.43 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.12 1.46 . . . . 0.0 111.85 174.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -136.5 157.35 46.99 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -167.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.26 157.13 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 127.582 2.353 . . . . 0.0 108.464 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -132.68 146.55 51.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.081 0.953 . . . . 0.0 111.753 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -135.72 135.03 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.717 1.207 . . . . 0.0 109.614 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -133.61 52.66 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -130.03 9.44 5.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.767 0.827 . . . . 0.0 112.06 168.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -122.64 -12.5 8.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.164 0.985 . . . . 0.0 113.238 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.37 132.07 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 118.821 0.737 . . . . 0.0 110.536 -172.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -129.78 142.43 50.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.019 0.928 . . . . 0.0 109.509 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -120.96 136.9 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.597 1.159 . . . . 0.0 108.611 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -128.44 121.25 28.55 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.84 114.44 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 170.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.6 mt -88.29 -43.34 11.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.886 -0.509 . . . . 0.0 110.502 -169.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.85 178.45 48.57 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.676 -0.297 . . . . 0.0 113.397 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.52 154.42 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-O 121.311 0.577 . . . . 0.0 110.701 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.7 m -152.98 109.13 3.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.41 -141.93 28.43 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.697 -169.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.43 5.43 31.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.186 0.994 . . . . 0.0 110.842 168.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.89 143.24 26.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.066 1.746 . . . . 0.0 110.402 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.1 t -129.49 118.45 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -77.11 112.45 13.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.1 mt -118.86 129.37 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.925 1.29 . . . . 0.0 109.515 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.82 141.77 15.63 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 125.341 1.448 . . . . 0.0 112.301 175.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -128.38 119.5 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.918 1.287 . . . . 0.0 108.482 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -118.31 101.13 7.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.211 0.605 . . . . 0.0 109.848 -174.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.57 156.58 52.81 Favored Pre-proline 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 110.106 -175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.48 153.97 74.28 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.948 2.432 . . . . 0.0 111.588 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -66.5 -1.04 3.15 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 171.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.88 -23.11 66.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.225 1.01 . . . . 0.0 111.3 169.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.74 146.9 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.156 0.982 . . . . 0.0 110.588 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.94 153.28 22.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.811 0.444 . . . . 0.0 111.055 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 m -136.49 131.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.791 0.437 . . . . 0.0 110.12 169.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -155.42 164.52 38.6 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.497 0.719 . . . . 0.0 111.453 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -79.58 162.16 25.5 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -60.92 -33.1 72.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.206 0.603 . . . . 0.0 111.965 -171.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.29 -44.15 79.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.967 0.907 . . . . 0.0 111.829 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 36.5 mm -91.6 -30.53 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 123.47 0.708 . . . . 0.0 110.822 -171.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -51.26 -34.85 34.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.827 0.851 . . . . 0.0 112.242 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.37 -29.2 70.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.604 0.761 . . . . 0.0 112.601 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -69.63 -34.81 74.59 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.164 0.585 . . . . 0.0 111.607 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 51' ' ' ILE . . . . . 0.407 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.6 mp . . . . . 0 N--CA 1.454 -0.247 0 O-C-N 121.978 -0.451 . . . . 0.0 109.794 177.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.608 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.52 111.76 17.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.936 0.894 . . . . 0.0 109.147 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.97 133.29 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.488 1.115 . . . . 0.0 108.871 -170.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.15 160.51 34.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.818 1.247 . . . . 0.0 111.096 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -104.94 110.22 22.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 165.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.2 OUTLIER -103.97 131.1 51.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.411 0.284 . . . . 0.0 110.758 174.593 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -79.59 153.44 29.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.103 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.0 m -56.02 134.84 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.2 -3.2 79.81 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.266 0.936 . . . . 0.0 114.329 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -96.44 174.08 7.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.046 1.423 . . . . 0.0 112.063 177.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -133.53 159.02 41.66 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.584 0.753 . . . . 0.0 112.804 -171.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.59 157.75 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 127.157 2.183 . . . . 0.0 108.725 -175.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -132.46 144.8 50.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.381 1.072 . . . . 0.0 111.043 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -133.8 132.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.74 1.216 . . . . 0.0 109.07 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -132.99 52.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -172.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -129.97 8.56 5.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.194 0.598 . . . . 0.0 112.354 170.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -125.96 -9.6 6.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.634 0.774 . . . . 0.0 112.896 -176.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.57 136.18 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.356 0.662 . . . . 0.0 110.395 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -129.83 146.44 51.56 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.527 1.131 . . . . 0.0 109.662 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.36 143.2 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.585 1.554 . . . . 0.0 107.971 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 79.7 m -138.25 127.27 24.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.134 0.574 . . . . 0.0 109.469 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.1 106.21 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -79.51 -30.66 42.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 110.91 -169.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -174.58 41.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.71 -0.156 . . . . 0.0 112.71 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.33 158.31 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 122.965 0.506 . . . . 0.0 110.745 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -141.33 79.93 1.71 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.688 1.195 . . . . 0.0 108.524 169.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.72 -113.91 4.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.526 -0.629 . . . . 0.0 111.526 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -92.55 -10.25 38.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.317 1.047 . . . . 0.0 110.576 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.37 154.72 20.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.148 0.975 . . . . 0.0 112.184 170.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.86 124.45 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.64 1.576 . . . . 0.0 106.967 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -98.72 113.64 25.81 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.063 0.945 . . . . 0.0 108.661 -173.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -123.71 124.53 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.325 0.65 . . . . 0.0 110.396 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.04 141.59 15.68 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.397 0.998 . . . . 0.0 111.177 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -132.02 140.65 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.036 0.934 . . . . 0.0 108.699 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -138.05 102.85 4.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.218 0.607 . . . . 0.0 109.624 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.53 154.7 79.83 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.276 1.031 . . . . 0.0 109.613 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.11 149.85 82.44 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.254 1.97 . . . . 0.0 110.65 170.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -68.08 -1.64 6.31 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.97 -22.39 66.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.728 1.211 . . . . 0.0 111.458 168.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.81 157.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.236 1.014 . . . . 0.0 110.6 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.53 157.06 16.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.319 0.648 . . . . 0.0 111.962 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.6 131.93 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 O-C-N 121.748 -0.595 . . . . 0.0 110.571 169.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -153.98 169.73 22.78 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.4 0.68 . . . . 0.0 112.288 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 mpp_? -65.5 156.22 33.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 165.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -62.25 -36.32 81.67 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 121.095 -1.003 . . . . 0.0 111.523 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.8 -22.44 66.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.979 0.912 . . . . 0.0 112.974 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -94.36 -41.3 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.261 1.024 . . . . 0.0 111.166 178.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.86 -35.96 11.22 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.853 1.261 . . . . 0.0 112.516 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -61.61 -25.52 67.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.609 1.164 . . . . 0.0 113.277 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -44.83 63.52 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 119.703 1.138 . . . . 0.0 110.149 -177.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 51' ' ' ILE . . . . . 0.654 HD12 ' N ' ' D' ' 51' ' ' ILE . 2.0 mp . . . . . 0 N--CA 1.455 -0.201 0 C-N-CA 127.073 2.149 . . . . 0.0 109.951 -176.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ttt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt -124.0 110.28 14.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.13 0.972 . . . . 0.0 109.418 -176.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -100.49 135.94 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.853 0.861 . . . . 0.0 109.397 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.43 163.18 28.5 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.122 1.369 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -132.75 100.94 5.09 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 6' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' E' ' 10' ' ' GLU . 12.1 ptm180 -105.01 162.15 13.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.536 1.934 . . . . 0.0 109.127 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -105.91 175.26 5.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.799 0.727 . . . . 0.0 112.507 168.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -55.54 138.99 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.979 0.419 . . . . 0.0 111.975 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.17 -5.78 84.52 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.968 -0.907 . . . . 0.0 115.116 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 10' ' ' GLU . . . . . 0.408 ' HB2' ' HE ' ' E' ' 6' ' ' ARG . 72.2 mm-40 -72.91 166.75 22.41 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.593 1.697 . . . . 0.0 111.882 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 41.0 m -131.36 149.12 52.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.909 . . . . 0.0 111.786 169.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -129.15 155.35 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.518 1.927 . . . . 0.0 108.054 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -130.43 149.85 51.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.641 -0.662 . . . . 0.0 112.479 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.92 139.28 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.48 1.112 . . . . 0.0 109.074 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -135.67 50.32 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -124.77 9.91 8.3 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.285 1.034 . . . . 0.0 111.372 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.13 -7.17 1.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -169.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.38 136.9 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 119.275 0.943 . . . . 0.0 111.091 -171.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -129.92 142.53 50.64 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.73 1.212 . . . . 0.0 110.577 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -129.58 117.56 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 124.786 1.234 . . . . 0.0 109.628 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -115.23 131.62 56.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.76 0.824 . . . . 0.0 110.271 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.66 113.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.06 -32.67 50.94 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.749 0.42 . . . . 0.0 110.457 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.39 -173.22 35.48 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.611 0.624 . . . . 0.0 113.029 168.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 m -119.03 159.7 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.417 0.687 . . . . 0.0 111.699 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -149.98 91.28 1.76 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.2 1.0 . . . . 0.0 109.709 169.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.4 -119.32 7.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -170.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -90.06 -14.77 33.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 117.436 0.618 . . . . 0.0 111.954 174.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 144.36 51.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.694 0.759 . . . . 0.0 110.021 175.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.16 110.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 126.562 1.945 . . . . 0.0 106.116 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -88.57 123.82 33.43 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.284 1.034 . . . . 0.0 108.779 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -129.4 138.51 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.172 0.589 . . . . 0.0 110.882 -167.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 139.13 14.88 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.704 1.145 . . . . 0.0 111.383 170.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 77.6 mt -131.29 129.89 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.64 1.176 . . . . 0.0 109.351 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.88 99.06 5.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -173.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.93 78.21 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.81 157.53 47.46 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.11 2.54 . . . . 0.0 112.086 171.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.83 -0.99 12.57 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 172.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.82 -22.88 66.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.434 1.093 . . . . 0.0 111.712 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -121.08 157.82 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.069 0.947 . . . . 0.0 110.552 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.73 157.32 16.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.973 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.97 126.54 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 122.979 0.511 . . . . 0.0 109.833 168.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -148.64 170.41 18.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.02 0.928 . . . . 0.0 109.859 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -71.19 156.4 39.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 168.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -61.82 -23.89 66.53 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.057 0.456 . . . . 0.0 111.069 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.49 -35.52 80.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.757 1.623 . . . . 0.0 111.994 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.69 -32.49 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.286 1.034 . . . . 0.0 109.683 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 48' ' ' TYR . . . . . 0.41 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 71.9 t80 -54.99 -34.91 63.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.43 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -68.68 -27.14 65.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.425 0.69 . . . . 0.0 112.824 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -68.5 -25.73 65.1 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.009 0.524 . . . . 0.0 109.814 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 51' ' ' ILE . . . . . 0.41 HG21 HD13 ' E' ' 51' ' ' ILE . 88.4 mt -99.02 -29.67 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 124.497 1.119 . . . . 0.0 110.581 -172.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 52' ' ' GLN . . . . . 0.41 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 74.7 mm-40 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 176.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.734 -0.098 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -95.86 147.97 23.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.969 0.508 . . . . 0.0 111.503 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.54 137.08 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.455 0.702 . . . . 0.0 109.792 171.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.49 161.21 36.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.882 1.273 . . . . 0.0 110.367 -174.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.85 99.37 4.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 168.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.98 162.06 13.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.59 1.156 . . . . 0.0 109.507 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -121.11 171.98 8.29 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 m -54.52 134.77 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.725 -170.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.21 -2.82 81.8 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.104 0.859 . . . . 0.0 114.326 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -98.9 169.34 9.52 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.702 1.251 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -135.77 160.84 37.3 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -169.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 15.7 mt -139.37 154.92 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 126.379 1.872 . . . . 0.0 108.592 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -130.69 148.72 52.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.771 0.828 . . . . 0.0 112.348 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -136.02 144.79 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.635 1.174 . . . . 0.0 108.928 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.88 -132.49 52.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -170.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -128.37 9.99 6.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.487 0.715 . . . . 0.0 111.727 169.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.36 -11.47 1.89 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 113.097 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -105.16 137.52 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.597 0.635 . . . . 0.0 110.272 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -131.59 141.66 49.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.125 0.97 . . . . 0.0 110.387 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -120.55 139.86 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.585 1.554 . . . . 0.0 108.087 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 50.7 m -137.42 124.38 21.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.15 0.58 . . . . 0.0 109.762 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -76.07 116.48 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 170.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 mt -85.19 -29.5 24.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.076 0.55 . . . . 0.0 110.908 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.58 -176.02 34.03 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.295 0.474 . . . . 0.0 113.51 170.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.96 157.78 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.03 0 CA-C-N 117.621 0.711 . . . . 0.0 112.586 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -150.07 104.86 3.32 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.534 1.133 . . . . 0.0 109.351 168.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.72 -114.25 5.24 Favored Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.587 -0.696 . . . . 0.0 111.776 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -95.4 -13.16 24.9 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.626 0.713 . . . . 0.0 111.53 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.25 141.3 45.38 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.327 0.584 . . . . 0.0 109.8 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.35 105.71 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 -174.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.94 123.26 31.87 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.359 0.664 . . . . 0.0 109.401 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.91 134.99 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.461 0.704 . . . . 0.0 110.443 -168.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.63 141.71 15.62 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.086 0.85 . . . . 0.0 111.619 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mt -127.08 139.77 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 0.0 109.079 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -134.16 114.67 13.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.613 0.765 . . . . 0.0 109.236 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.71 157.22 75.42 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 123.637 0.775 . . . . 0.0 111.54 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.04 162.04 37.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.09 2.527 . . . . 0.0 112.211 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.93 -4.03 25.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.398 0.679 . . . . 0.0 112.575 172.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.92 -19.65 63.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.687 1.195 . . . . 0.0 112.376 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -126.9 165.42 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.718 0.807 . . . . 0.0 111.214 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.37 161.83 13.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.548 0.739 . . . . 0.0 111.432 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.02 119.84 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.315 0.646 . . . . 0.0 110.528 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.62 173.14 15.01 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.335 1.054 . . . . 0.0 110.063 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -76.9 160.72 28.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.796 -0.565 . . . . 0.0 110.521 169.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.34 -26.23 66.42 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.504 0.722 . . . . 0.0 112.0 -171.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.66 -45.87 88.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.852 1.261 . . . . 0.0 111.78 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -85.26 -29.23 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.798 0.839 . . . . 0.0 110.21 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -54.83 -35.05 63.54 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.952 0.901 . . . . 0.0 112.737 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.06 -26.19 66.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.497 0.719 . . . . 0.0 112.425 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.82 -22.8 61.5 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.704 0.802 . . . . 0.0 110.714 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.449 -0.496 0 C-N-CA 123.971 0.908 . . . . 0.0 109.837 -170.229 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.021 -0.514 . . . . 0.0 109.766 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.21 115.33 30.24 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.469 0.708 . . . . 0.0 109.602 -175.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -99.14 136.07 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.134 0.974 . . . . 0.0 109.456 -178.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 70.9 mt -131.91 159.82 37.52 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.13 0.972 . . . . 0.0 109.89 173.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -121.61 100.96 7.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -110.8 132.63 54.03 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.216 0.606 . . . . 0.0 110.687 -168.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.8 mttt -96.54 156.16 16.46 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.987 -0.446 . . . . 0.0 110.389 -176.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.475 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.4 t -46.51 127.94 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.53 0.732 . . . . 0.0 111.181 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.57 -4.11 69.09 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 124.212 0.91 . . . . 0.0 114.356 176.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 -100.12 175.02 5.88 Favored 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 118.492 1.146 . . . . 0.0 111.448 178.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.3 m -139.86 150.55 44.77 Favored 'General case' 0 N--CA 1.457 -0.122 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 -168.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 9.3 mm -109.75 155.31 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 125.658 1.583 . . . . 0.0 109.502 169.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -128.1 137.55 52.17 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.318 1.047 . . . . 0.0 110.461 175.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -131.3 130.98 63.44 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.451 1.1 . . . . 0.0 109.372 -175.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.73 -129.06 30.04 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.914 -0.875 . . . . 0.0 110.914 -177.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -130.04 3.49 4.83 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.905 0.882 . . . . 0.0 112.4 171.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -133.4 -13.7 2.64 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 -168.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.5 mt -110.57 139.37 34.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 123.812 0.845 . . . . 0.0 110.39 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m -136.07 148.27 48.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.825 0.85 . . . . 0.0 109.155 173.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 11.4 mm -128.56 138.69 53.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.229 1.011 . . . . 0.0 108.575 -176.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -129.7 129.69 44.54 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.317 0.647 . . . . 0.0 110.238 -178.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -83.66 97.58 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.6 mt -69.91 -31.47 69.28 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 -174.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.475 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.73 -173.94 44.56 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 123.131 0.396 . . . . 0.0 113.106 169.005 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.8 p -135.26 147.55 29.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.624 0.77 . . . . 0.0 111.099 -172.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -138.48 64.79 1.48 Allowed 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.637 1.175 . . . . 0.0 109.696 -172.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.93 -117.82 7.14 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.755 -0.538 . . . . 0.0 111.755 -177.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 21.9 tt0 -83.87 -1.89 55.34 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.586 0.754 . . . . 0.0 112.48 -176.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -117.67 160.03 21.97 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 121.936 0.874 . . . . 0.0 112.414 169.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.04 134.05 55.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 C-N-CA 125.981 1.713 . . . . 0.0 109.506 -166.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -104.38 101.96 11.64 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 122.976 0.51 . . . . 0.0 110.188 -179.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -111.85 133.75 56.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.576 1.15 . . . . 0.0 109.843 -174.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.87 139.68 14.99 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.952 0.787 . . . . 0.0 111.57 170.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 58.8 mt -109.47 132.95 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.115 1.366 . . . . 0.0 108.395 176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -119.94 74.97 1.05 Allowed 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.552 1.141 . . . . 0.0 109.388 178.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.5 153.57 44.87 Favored Pre-proline 0 N--CA 1.452 -0.345 0 CA-C-N 114.323 -1.308 . . . . 0.0 110.742 174.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -74.13 154.94 47.27 Favored 'Trans proline' 0 N--CA 1.45 -1.053 0 C-N-CA 122.747 2.298 . . . . 0.0 110.599 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 mtpt -68.33 -4.24 13.77 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.27 -25.41 64.25 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.92 0.888 . . . . 0.0 112.136 170.18 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.96 143.98 23.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.805 0.812 . . . . 0.0 111.628 174.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.84 143.02 29.33 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.845 0.858 . . . . 0.0 110.586 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 11.8 m -133.75 130.69 56.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 122.832 0.453 . . . . 0.0 110.172 172.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -150.83 158.07 43.7 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 122.891 0.476 . . . . 0.0 111.537 -177.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.8 mtp180 -62.75 159.12 17.01 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.977 0.911 . . . . 0.0 109.232 168.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -63.13 -42.42 99.51 Favored 'General case' 0 N--CA 1.457 -0.123 0 CA-C-N 119.925 1.239 . . . . 0.0 111.991 178.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 24.5 pm0 -72.99 -0.22 13.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.522 -0.736 . . . . 0.0 112.975 177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.6 mt -121.38 -10.29 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 124.423 1.089 . . . . 0.0 111.073 174.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.4 t80 -80.06 -42.28 24.01 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 120.427 -1.421 . . . . 0.0 110.453 170.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 37.1 mt-30 -73.11 -20.66 60.89 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.874 -175.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.6 ptp180 -76.47 -33.11 58.7 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.09 0.556 . . . . 0.0 111.631 173.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.61 HG22 HE21 ' A' ' 52' ' ' GLN . 75.5 mt -66.17 -50.09 71.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 123.944 0.898 . . . . 0.0 109.677 171.161 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.61 HE21 HG22 ' A' ' 51' ' ' ILE . 85.1 mm-40 -83.77 5.04 26.39 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -174.35 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.85 -23.05 67.1 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 122.327 0.251 . . . . 0.0 111.468 169.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.05 -6.91 2.07 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 124.091 0.853 . . . . 0.0 113.245 171.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.454 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.5 pp -89.83 90.71 8.31 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 122.621 1.2 . . . . 0.0 111.54 -169.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -153.32 -27.14 0.14 Allowed 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 114.707 -1.133 . . . . 0.0 111.045 174.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.2 152.7 40.21 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 124.383 1.073 . . . . 0.0 111.634 174.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -68.27 160.02 50.73 Favored 'Trans proline' 0 N--CA 1.451 -1.028 0 C-N-CA 122.974 2.45 . . . . 0.0 111.685 177.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.4 t70 . . . . . 0 N--CA 1.451 -0.414 0 CA-C-N 114.942 -1.026 . . . . 0.0 111.517 169.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 35.8 tpp . . . . . 0 N--CA 1.472 0.667 0 CA-C-O 119.145 -0.455 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -107.16 118.27 36.27 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 169.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 62.8 mt -113.59 138.27 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -166.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.8 mt -136.55 137.6 40.42 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 125.085 1.354 . . . . 0.0 110.241 -176.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 34.1 m -102.53 102.04 12.27 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 174.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 2.9 tpm_? -108.13 129.68 55.15 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 126.055 1.742 . . . . 0.0 110.64 -168.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -77.97 155.7 30.63 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.202 172.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.9 m -61.31 133.96 26.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 120.358 -0.537 . . . . 0.0 110.489 174.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.35 -4.47 73.64 Favored Glycine 0 CA--C 1.526 0.772 0 CA-C-O 119.273 -0.737 . . . . 0.0 114.443 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -90.3 170.93 9.85 Favored 'General case' 0 N--CA 1.454 -0.248 0 CA-C-N 118.611 1.206 . . . . 0.0 111.003 172.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 27.5 m -136.68 164.49 28.1 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.429 0.691 . . . . 0.0 112.406 -170.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 29.2 mt -145.63 157.79 12.75 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 C-N-CA 126.482 1.913 . . . . 0.0 108.826 -173.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -135.67 146.65 48.02 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.966 0.906 . . . . 0.0 111.801 -177.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.0 mt -135.65 128.77 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.575 1.15 . . . . 0.0 109.457 178.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.46 -134.35 51.72 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -177.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.74 5.06 6.07 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.79 0.836 . . . . 0.0 112.799 174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.3 m-20 -115.37 -20.0 10.48 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.395 0.887 . . . . 0.0 113.395 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.05 135.07 56.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.163 0.892 . . . . 0.0 111.403 -169.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 98.9 m -129.3 148.02 51.19 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.792 1.237 . . . . 0.0 109.603 171.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.5 mm -129.68 141.62 45.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 125.111 1.364 . . . . 0.0 108.509 -177.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -133.87 130.23 37.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.091 0.556 . . . . 0.0 109.933 174.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -85.37 93.51 3.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 174.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.6 mt -65.44 -33.38 75.8 Favored 'General case' 0 N--CA 1.454 -0.273 0 O-C-N 121.839 -0.538 . . . . 0.0 110.974 -171.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.18 -178.0 40.95 Favored Glycine 0 CA--C 1.523 0.534 0 N-CA-C 112.11 -0.396 . . . . 0.0 112.11 172.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -112.66 150.33 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 N-CA-C 109.663 -0.495 . . . . 0.0 109.663 169.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.8 m -124.86 79.37 1.77 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 169.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.74 -119.23 4.92 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.126 -0.79 . . . . 0.0 111.126 -175.15 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.66 10.26 41.49 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.112 -0.64 . . . . 0.0 111.206 173.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -98.94 152.52 19.69 Favored 'General case' 0 N--CA 1.448 -0.526 0 C-N-CA 123.977 0.911 . . . . 0.0 109.919 170.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 26.6 t -134.53 111.86 14.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 N-CA-C 109.542 -0.54 . . . . 0.0 109.542 -169.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -84.05 116.37 22.82 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.497 1.119 . . . . 0.0 109.526 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -124.7 129.43 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.125 0.97 . . . . 0.0 109.526 -171.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.42 133.01 11.33 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 171.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -118.57 128.9 75.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.806 0.812 . . . . 0.0 109.216 179.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -130.83 74.86 1.62 Allowed 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 114.33 -1.304 . . . . 0.0 109.286 -168.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.35 157.39 49.37 Favored Pre-proline 0 N--CA 1.449 -0.503 0 CA-C-N 113.767 -1.56 . . . . 0.0 108.972 171.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -59.21 152.15 62.04 Favored 'Trans proline' 0 N--CA 1.446 -1.293 0 C-N-CA 121.393 1.396 . . . . 0.0 109.61 168.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.421 ' HE2' " O2'" ' G' ' 28' ' ' ' G' . 12.2 mttt -67.56 -0.69 4.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.68 1.192 . . . . 0.0 112.827 172.267 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.89 -28.17 68.75 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 126.026 1.73 . . . . 0.0 111.58 170.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 7.5 m -106.89 144.14 16.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.494 1.117 . . . . 0.0 110.174 175.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.8 141.25 30.62 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.388 0.613 . . . . 0.0 111.807 172.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 7.8 t -144.96 100.5 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-N 114.97 -1.014 . . . . 0.0 109.388 -166.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.434 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.6 OUTLIER -146.2 166.48 26.09 Favored 'General case' 0 C--N 1.337 0.062 0 C-N-CA 124.208 1.003 . . . . 0.0 110.959 179.837 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 35.9 ptt-85 -69.22 158.4 35.03 Favored 'General case' 0 N--CA 1.455 -0.195 0 O-C-N 122.117 -0.364 . . . . 0.0 110.348 168.371 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -54.19 -38.18 65.32 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.167 0.587 . . . . 0.0 112.34 -177.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -48.52 -46.61 38.77 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 122.995 0.518 . . . . 0.0 111.208 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.2 mm -79.65 -47.6 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 C-N-CA 125.374 1.47 . . . . 0.0 110.029 -172.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 80.4 t80 -50.3 -36.47 31.87 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.122 0.969 . . . . 0.0 111.671 178.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.3 mt-30 -69.74 -23.39 63.38 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -176.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -82.94 -39.48 21.37 Favored 'General case' 0 CA--C 1.521 -0.156 0 CA-C-N 119.369 0.986 . . . . 0.0 110.567 169.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.548 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.2 mt -63.06 -40.83 90.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 -176.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.548 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.7 mm-40 -80.2 4.96 15.83 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.256 0.835 . . . . 0.0 113.256 173.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.42 -19.13 50.73 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.025 0.53 . . . . 0.0 111.164 168.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.69 47.61 0.09 OUTLIER Glycine 0 C--N 1.338 0.653 0 C-N-CA 123.651 0.643 . . . . 0.0 114.102 169.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.74 -176.97 2.9 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 117.885 0.843 . . . . 0.0 112.805 -168.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 35.9 p -125.37 -177.64 3.95 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.468 1.507 . . . . 0.0 109.47 167.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.407 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -41.0 119.22 1.69 Allowed Pre-proline 0 N--CA 1.455 -0.208 0 C-N-CA 124.084 0.954 . . . . 0.0 111.31 177.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 31.8 Cg_exo -68.26 177.19 4.74 Favored 'Trans proline' 0 N--CA 1.453 -0.874 0 C-N-CA 122.196 1.931 . . . . 0.0 113.929 -169.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.454 -0.26 0 C-N-CA 124.546 1.138 . . . . 0.0 112.858 177.119 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.8 tpp . . . . . 0 N--CA 1.475 0.778 0 CA-C-O 119.157 -0.449 . . . . 0.0 110.491 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -106.84 110.46 22.63 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 167.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -85.79 133.68 29.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.718 0.807 . . . . 0.0 109.657 177.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.8 140.78 50.97 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.59 1.156 . . . . 0.0 109.666 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 15.5 p -100.25 143.96 29.83 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 120.83 0.348 . . . . 0.0 110.79 169.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -134.78 141.32 46.41 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.393 0.677 . . . . 0.0 110.563 173.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.502 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.8 tptm -77.29 155.77 31.83 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 168.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.1 m -58.75 132.72 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-N 119.139 0.881 . . . . 0.0 111.295 -178.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.23 -4.25 84.36 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 124.61 1.1 . . . . 0.0 113.991 -177.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -86.91 173.32 9.44 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 119.203 1.501 . . . . 0.0 111.803 175.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -136.49 159.3 42.19 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -167.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 61.5 mt -136.49 159.04 38.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 127.887 2.475 . . . . 0.0 107.834 -179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -132.45 150.3 52.18 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.836 0.854 . . . . 0.0 111.62 177.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 66.4 mt -133.28 136.68 54.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.478 1.111 . . . . 0.0 109.138 175.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.73 -140.81 47.17 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 123.54 0.59 . . . . 0.0 111.779 -174.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -118.17 7.35 12.11 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.686 1.194 . . . . 0.0 111.054 171.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -127.51 -13.83 5.36 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.687 0.995 . . . . 0.0 113.687 -169.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.53 135.51 59.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.947 0.794 . . . . 0.0 110.901 -172.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 32.9 m -122.67 142.68 50.41 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.647 1.179 . . . . 0.0 109.612 172.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 29.8 mm -124.23 139.75 49.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 125.076 1.351 . . . . 0.0 108.273 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.1 m -132.13 130.29 40.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 175.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -85.44 112.82 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 106.589 -1.634 . . . . 0.0 106.589 168.869 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -83.56 -45.11 13.9 Favored 'General case' 0 N--CA 1.453 -0.287 0 O-C-N 121.722 -0.611 . . . . 0.0 110.01 -169.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.08 -177.91 48.6 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 121.6 -0.333 . . . . 0.0 112.951 168.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -114.21 151.45 16.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.108 0 C-N-CA 123.205 0.602 . . . . 0.0 110.779 174.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.2 m -140.07 100.23 3.87 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.415 1.086 . . . . 0.0 108.105 171.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.97 -124.14 22.89 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.643 -0.983 . . . . 0.0 110.643 -169.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -95.55 -0.8 51.63 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.324 1.05 . . . . 0.0 111.939 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -85.06 153.31 22.8 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.289 0.566 . . . . 0.0 110.815 173.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' C' ' 22' ' ' ILE . 40.5 t -130.32 122.18 52.9 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.409 0 C-N-CA 125.211 1.404 . . . . 0.0 108.186 176.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.6 ttm180 -82.23 118.03 22.8 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.497 -0.927 . . . . 0.0 108.497 168.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 17.6 mt -121.23 130.84 74.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 125.218 1.407 . . . . 0.0 108.885 -174.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.75 137.04 13.17 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.22 0.914 . . . . 0.0 111.996 174.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.8 mt -122.92 121.62 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.622 1.169 . . . . 0.0 108.823 178.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -118.49 98.66 6.37 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 123.266 0.627 . . . . 0.0 110.128 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.26 155.06 80.23 Favored Pre-proline 0 N--CA 1.453 -0.288 0 C-N-CA 124.254 1.021 . . . . 0.0 110.02 177.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.1 Cg_endo -62.42 151.39 83.11 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.664 2.242 . . . . 0.0 111.0 171.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.24 -0.94 2.84 Favored 'General case' 0 CA--C 1.527 0.096 0 C-N-CA 123.344 0.657 . . . . 0.0 112.615 172.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.9 -23.24 66.6 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.358 1.063 . . . . 0.0 111.25 169.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -122.02 148.67 25.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.307 1.043 . . . . 0.0 110.478 174.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.12 154.3 22.12 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.298 175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.8 m -137.22 132.29 46.19 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 169.084 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -153.66 153.83 33.01 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.334 0.654 . . . . 0.0 110.746 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -74.25 159.03 33.02 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 166.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.3 tm-20 -61.32 -32.76 72.64 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -168.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.56 -21.58 62.68 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 178.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.2 mm -95.12 -35.75 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.472 0.709 . . . . 0.0 110.696 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -51.7 -37.04 49.07 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.219 1.008 . . . . 0.0 112.182 -178.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.94 -28.86 66.66 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.834 0.854 . . . . 0.0 112.723 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -69.36 -38.32 78.04 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.213 0.605 . . . . 0.0 111.707 175.163 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.414 ' N ' HD12 ' C' ' 51' ' ' ILE . 3.1 mp -68.25 -20.4 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 N-CA-C 109.788 -0.449 . . . . 0.0 109.788 177.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -92.04 -10.88 37.55 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.727 0.811 . . . . 0.0 112.571 173.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.04 -22.83 44.82 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.144 0.978 . . . . 0.0 112.036 177.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 96.06 137.9 9.53 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 123.913 0.768 . . . . 0.0 111.343 -177.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.86 160.6 43.45 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.084 0.953 . . . . 0.0 111.476 -172.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 24.7 p -140.32 159.42 42.23 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.493 1.117 . . . . 0.0 110.906 -176.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 48.74 76.98 0.49 Allowed Pre-proline 0 N--CA 1.455 -0.216 0 C-N-CA 125.553 1.541 . . . . 0.0 113.405 179.296 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -64.28 176.01 2.93 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.343 2.695 . . . . 0.0 113.915 177.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 124.27 1.028 . . . . 0.0 112.629 -179.762 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.543 ' HG2' HD11 ' D' ' 3' ' ' ILE . 4.1 tpp . . . . . 0 N--CA 1.475 0.823 0 N-CA-C 110.848 -0.056 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -112.04 113.64 26.05 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 125.263 1.425 . . . . 0.0 107.962 168.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.543 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.0 mp -99.28 133.85 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.768 1.227 . . . . 0.0 109.462 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 mt -123.09 172.14 8.78 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.373 1.469 . . . . 0.0 109.807 172.533 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.5 m -134.81 109.92 8.85 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-N 115.247 -0.888 . . . . 0.0 108.996 169.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 mmp_? -123.26 149.77 44.33 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.857 0.863 . . . . 0.0 111.122 -175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -80.76 161.07 24.71 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 121.301 0.572 . . . . 0.0 111.693 175.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 18.8 m -54.88 138.84 14.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.561 0.744 . . . . 0.0 111.45 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.0 -5.54 83.15 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.465 1.031 . . . . 0.0 113.918 -177.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -90.61 174.9 7.26 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.905 1.353 . . . . 0.0 112.961 -179.078 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -135.66 152.32 51.08 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.028 0.931 . . . . 0.0 112.276 -170.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 56.5 mt -142.12 161.43 19.99 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 126.17 1.788 . . . . 0.0 108.553 -176.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 23.2 m120 -137.59 146.47 44.05 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.013 0.925 . . . . 0.0 112.035 -171.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 136.26 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.9 1.28 . . . . 0.0 109.176 178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.19 -136.63 50.36 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.287 -0.725 . . . . 0.0 111.287 -173.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.97 9.94 6.92 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.958 0.903 . . . . 0.0 112.425 171.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 30.1 m-20 -125.65 -14.2 6.32 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -113.01 135.28 52.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 CA-C-N 118.991 0.814 . . . . 0.0 110.864 -171.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 58.7 m -125.9 146.85 49.66 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.298 1.039 . . . . 0.0 110.019 175.071 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.9 mm -124.87 143.47 38.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 125.776 1.63 . . . . 0.0 108.127 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 22.1 m -136.96 124.14 21.74 Favored 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 176.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.77 105.69 10.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 172.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.0 mt -78.51 -32.13 47.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.027 0.531 . . . . 0.0 110.604 -171.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.87 -173.76 41.49 Favored Glycine 0 CA--C 1.523 0.59 0 C-N-CA 122.152 -0.071 . . . . 0.0 113.174 172.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 21.3 m -112.75 163.86 9.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.255 0.622 . . . . 0.0 111.116 169.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -147.21 80.94 1.53 Allowed 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 124.427 1.091 . . . . 0.0 108.146 168.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.18 -115.64 4.71 Favored Glycine 0 CA--C 1.522 0.522 0 N-CA-C 111.357 -0.697 . . . . 0.0 111.357 -171.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.502 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.7 mp0 -92.48 -13.53 29.77 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.011 0.924 . . . . 0.0 110.668 176.09 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 22.7 mt-30 -73.62 147.35 43.87 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.466 0.651 . . . . 0.0 110.599 171.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 40.2 t -132.5 116.24 27.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.473 0 N-CA-C 106.845 -1.539 . . . . 0.0 106.845 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 18.0 ttm-85 -91.98 111.97 23.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.527 1.131 . . . . 0.0 108.804 -174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -121.72 125.18 73.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 123.507 0.723 . . . . 0.0 109.883 -169.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.86 137.95 14.31 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 110.907 -0.877 . . . . 0.0 110.907 171.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.62 143.94 32.44 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.168 0.987 . . . . 0.0 108.492 172.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -138.09 105.59 5.55 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.371 0.669 . . . . 0.0 109.267 -177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.45 155.71 64.0 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.228 1.011 . . . . 0.0 110.031 -176.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -63.74 151.95 82.75 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 122.701 2.267 . . . . 0.0 111.045 170.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -69.09 -1.35 7.45 Favored 'General case' 0 C--N 1.337 0.061 0 N-CA-C 112.807 0.669 . . . . 0.0 112.807 174.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -66.1 -21.94 66.38 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.375 1.07 . . . . 0.0 111.251 168.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.19 158.36 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.357 1.063 . . . . 0.0 110.641 175.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.33 157.11 16.14 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.304 0.642 . . . . 0.0 112.089 -178.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -148.5 125.8 2.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 O-C-N 122.033 -0.417 . . . . 0.0 110.095 168.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -151.86 166.69 30.66 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.496 0.718 . . . . 0.0 111.841 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -62.67 155.76 25.42 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.128 -0.693 . . . . 0.0 109.128 167.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.2 tm-20 -60.29 -38.74 84.56 Favored 'General case' 0 CA--C 1.528 0.108 0 O-C-N 121.508 -0.745 . . . . 0.0 111.626 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -63.5 -23.98 67.62 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.943 0.897 . . . . 0.0 112.996 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 42.7 mm -94.77 -41.51 12.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.781 1.232 . . . . 0.0 110.911 -178.346 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 35.8 t80 -48.42 -35.92 13.75 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 125.295 1.438 . . . . 0.0 112.097 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -62.42 -21.83 65.7 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.6 1.16 . . . . 0.0 113.276 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -84.53 -39.04 19.3 Favored 'General case' 0 N--CA 1.457 -0.109 0 C-N-CA 124.534 1.134 . . . . 0.0 110.221 -175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.644 ' N ' HD12 ' D' ' 51' ' ' ILE . 3.5 mp -73.54 -19.01 17.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.517 1.527 . . . . 0.0 110.51 177.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -104.62 -17.65 14.6 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.786 1.234 . . . . 0.0 113.388 179.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.07 -50.49 5.66 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 119.183 0.901 . . . . 0.0 112.563 178.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -135.93 0.82 3.39 Favored Glycine 0 CA--C 1.523 0.58 0 C-N-CA 123.786 0.708 . . . . 0.0 112.882 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.471 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 64.95 56.88 1.03 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.626 1.57 . . . . 0.0 109.835 166.329 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 8.1 p -68.93 -29.78 68.1 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 114.123 -1.399 . . . . 0.0 114.186 -166.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.427 ' HB3' ' O2 ' ' G' ' 7' ' ' ' C' . . . -129.2 92.17 39.86 Favored Pre-proline 0 N--CA 1.452 -0.326 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 167.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_exo -53.13 -35.98 75.07 Favored 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 124.018 3.146 . . . . 0.0 112.178 179.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 21.4 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 125.141 1.376 . . . . 0.0 109.871 -170.372 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.9 tpt . . . . . 0 N--CA 1.475 0.82 0 CA-C-O 119.894 -0.098 . . . . 0.0 111.179 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tt -139.62 121.73 15.78 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.817 0.847 . . . . 0.0 109.521 172.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.3 mp -105.06 129.8 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.818 0.847 . . . . 0.0 108.863 172.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -145.2 165.07 29.39 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.017 0.927 . . . . 0.0 111.602 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -128.21 123.62 34.71 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.288 0.635 . . . . 0.0 109.653 -179.135 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.457 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.6 mmp_? -133.49 138.38 46.11 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.658 1.183 . . . . 0.0 109.98 -173.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 pttm -95.6 168.47 10.66 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.1 m -58.82 137.03 21.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.005 -0.543 . . . . 0.0 112.154 -171.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.83 -4.1 83.28 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.05 0.834 . . . . 0.0 114.314 -177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -93.97 169.89 9.94 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.831 1.315 . . . . 0.0 111.596 179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.6 m -133.54 154.88 50.49 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.144 0.794 . . . . 0.0 113.144 -168.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.457 HD11 ' HG3' ' E' ' 6' ' ' ARG . 36.8 mt -141.38 157.84 21.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 126.313 1.845 . . . . 0.0 108.347 -175.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -140.35 150.14 43.59 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.346 0.869 . . . . 0.0 113.346 -172.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 43.7 mt -137.55 140.28 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.888 1.275 . . . . 0.0 109.151 -179.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.85 -138.65 48.1 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 111.658 -0.577 . . . . 0.0 111.658 -178.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -121.81 8.58 9.98 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 124.026 0.931 . . . . 0.0 111.797 173.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -138.38 -7.92 1.51 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -169.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -116.3 135.3 56.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 119.077 0.853 . . . . 0.0 110.904 -172.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 27.7 m -127.14 143.44 51.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.464 1.106 . . . . 0.0 110.213 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.8 mm -123.18 136.81 58.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 125.215 1.406 . . . . 0.0 108.29 175.498 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 24.7 m -134.52 125.84 28.16 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.129 0.572 . . . . 0.0 109.828 -179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -78.65 109.17 13.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 171.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.4 mt -75.8 -31.88 59.63 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 122.483 0.313 . . . . 0.0 110.479 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.11 -172.53 33.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.111 0.386 . . . . 0.0 113.346 169.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.7 m -121.64 159.1 24.47 Favored 'Isoleucine or valine' 0 C--O 1.23 0.077 0 C-N-CA 123.776 0.83 . . . . 0.0 112.261 -175.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -146.24 89.96 1.91 Allowed 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 125.198 1.399 . . . . 0.0 108.619 169.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.48 -113.59 5.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -171.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.5 mm100 -93.7 -17.67 22.96 Favored 'General case' 0 N--CA 1.455 -0.196 0 CA-C-N 117.269 0.534 . . . . 0.0 111.786 177.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -74.63 140.57 44.39 Favored 'General case' 0 N--CA 1.449 -0.524 0 C-N-CA 123.469 0.708 . . . . 0.0 109.761 178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.6 112.73 15.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 N-CA-C 107.152 -1.425 . . . . 0.0 107.152 -172.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 18.5 ttm180 -88.24 119.51 28.71 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -125.94 129.92 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.906 0.882 . . . . 0.0 110.092 -169.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.69 140.68 15.45 Favored Glycine 0 CA--C 1.525 0.664 0 C-N-CA 124.151 0.881 . . . . 0.0 111.177 169.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -132.31 126.03 54.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.766 1.226 . . . . 0.0 108.742 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.17 98.93 5.26 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 -171.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.77 155.03 79.73 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 124.724 1.209 . . . . 0.0 110.445 177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -62.0 158.02 40.93 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 122.821 2.347 . . . . 0.0 112.094 172.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.0 mmmt -72.03 -0.99 13.05 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.495 0.718 . . . . 0.0 112.614 172.862 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.96 -23.13 65.92 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.689 1.196 . . . . 0.0 111.718 169.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -122.02 157.61 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.089 0.956 . . . . 0.0 110.422 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.77 159.3 15.12 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.1 128.03 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 122.886 0.474 . . . . 0.0 110.583 171.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -150.97 174.11 13.51 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.856 1.263 . . . . 0.0 109.365 174.559 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . 0.496 HH21 HD22 ' F' ' 4' ' ' LEU . 6.3 ptp85 -81.34 166.03 20.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.589 -0.694 . . . . 0.0 110.219 169.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -59.13 -31.15 68.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 122.992 0.517 . . . . 0.0 112.341 -170.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -58.34 -48.65 79.88 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.338 1.055 . . . . 0.0 111.674 175.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 24.2 mm -81.87 -33.03 11.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 123.564 0.745 . . . . 0.0 109.813 -171.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -50.94 -35.4 33.13 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.482 1.113 . . . . 0.0 112.619 178.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.52 -22.06 63.17 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.919 0.887 . . . . 0.0 112.65 -177.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -71.81 -46.88 56.7 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.176 0.59 . . . . 0.0 109.634 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.483 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -64.48 -22.96 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 125.415 1.486 . . . . 0.0 110.626 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 74.0 mm-40 -85.22 -41.02 15.99 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 115.488 1.662 . . . . 0.0 115.488 169.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.24 -33.28 7.86 Favored 'General case' 0 CA--C 1.53 0.18 0 N-CA-C 116.315 1.968 . . . . 0.0 116.315 -166.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -125.77 -23.64 1.63 Allowed Glycine 0 CA--C 1.526 0.756 0 C-N-CA 123.965 0.793 . . . . 0.0 112.988 -169.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.438 ' N ' HD13 ' E' ' 55' ' ' LEU . 0.2 OUTLIER 63.9 174.22 0.18 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 128.05 2.54 . . . . 0.0 113.255 169.731 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -94.89 -9.47 34.14 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.889 -175.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.2 132.87 17.02 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 124.171 0.988 . . . . 0.0 109.935 171.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo -66.67 -177.25 0.88 Allowed 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 122.974 2.449 . . . . 0.0 113.014 171.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.1 t70 . . . . . 0 N--CA 1.455 -0.189 0 C-N-CA 124.448 1.099 . . . . 0.0 112.788 177.135 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.0 tpt . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 111.093 0.034 . . . . 0.0 111.093 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mt -96.53 150.13 20.97 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 122.779 0.432 . . . . 0.0 111.391 173.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -127.73 133.09 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 169.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . 0.496 HD22 HH21 ' E' ' 44' ' ' ARG . 55.9 mt -128.93 161.07 30.72 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 125.003 1.321 . . . . 0.0 110.151 -179.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.06 100.94 6.56 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-O 121.24 0.543 . . . . 0.0 109.807 169.089 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -105.0 138.94 40.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 126.26 1.824 . . . . 0.0 109.347 -178.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -101.99 167.99 9.69 Favored 'General case' 0 C--N 1.339 0.11 0 CA-C-N 120.495 1.498 . . . . 0.0 112.986 169.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -56.93 137.49 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 114.978 -1.01 . . . . 0.0 112.844 -171.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.22 -6.85 78.6 Favored Glycine 0 CA--C 1.526 0.72 0 C-N-CA 124.364 0.983 . . . . 0.0 113.853 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -98.29 173.51 6.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.643 1.222 . . . . 0.0 111.715 -177.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -133.84 158.51 43.22 Favored 'General case' 0 C--O 1.231 0.131 0 N-CA-C 113.9 1.074 . . . . 0.0 113.9 -169.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 33.5 mt -137.54 158.17 34.36 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.732 2.013 . . . . 0.0 108.329 179.007 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -134.63 149.0 50.51 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.47 -0.769 . . . . 0.0 112.555 -175.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.0 mt -136.91 140.4 42.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.59 1.156 . . . . 0.0 109.19 -179.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.58 -134.92 49.77 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 111.277 -0.729 . . . . 0.0 111.277 -175.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -128.46 10.01 6.13 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.244 1.017 . . . . 0.0 112.328 173.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.5 m-20 -131.23 -22.24 2.53 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.642 0.979 . . . . 0.0 113.642 -178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -97.74 136.42 28.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 119.116 0.871 . . . . 0.0 110.84 -170.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -127.34 142.58 51.41 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.316 1.046 . . . . 0.0 110.228 175.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.0 mm -121.47 142.18 38.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 125.443 1.497 . . . . 0.0 108.201 175.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.9 m -135.41 127.63 30.07 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.149 0.58 . . . . 0.0 109.652 174.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.01 111.84 18.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.404 -0.962 . . . . 0.0 108.404 171.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 29.7 mt -85.12 -27.7 26.06 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.207 0.603 . . . . 0.0 111.283 -171.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.73 -173.59 34.44 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 123.242 0.449 . . . . 0.0 113.511 171.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.4 m -127.5 153.3 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.651 0.781 . . . . 0.0 111.873 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 72.4 m -139.42 89.92 2.37 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 125.066 1.346 . . . . 0.0 109.173 169.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.46 -107.61 2.14 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.504 -0.639 . . . . 0.0 111.504 -174.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -94.86 -20.35 19.51 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 117.298 0.549 . . . . 0.0 111.941 175.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 38.3 mm-40 -73.59 142.63 46.57 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.347 0.659 . . . . 0.0 110.171 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -133.14 114.46 21.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 -175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -89.15 129.18 35.79 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.972 0.909 . . . . 0.0 109.476 -177.356 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -135.67 143.0 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.057 0.943 . . . . 0.0 110.038 -168.116 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.22 137.88 14.03 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.736 -0.946 . . . . 0.0 110.736 173.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 56.3 mt -126.63 133.74 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.999 0.92 . . . . 0.0 109.464 -178.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.3 t-20 -127.49 105.94 8.85 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.192 0.997 . . . . 0.0 109.29 -178.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 157.87 76.99 Favored Pre-proline 0 N--CA 1.453 -0.283 0 C-N-CA 123.917 0.887 . . . . 0.0 111.203 178.727 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.94 160.42 41.4 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.918 2.412 . . . . 0.0 112.211 173.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 26.5 pttm -62.6 -13.94 37.23 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 172.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -72.85 -13.94 61.39 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 125.15 1.38 . . . . 0.0 112.496 -179.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.1 m -127.3 163.76 29.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.974 0.91 . . . . 0.0 111.105 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.42 163.2 12.79 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 111.468 172.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.2 p -154.99 126.31 0.9 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.5 0.72 . . . . 0.0 110.094 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -153.42 176.57 11.86 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.042 0.937 . . . . 0.0 110.505 175.508 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.5 ptt-85 -78.46 163.57 25.49 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.859 -0.526 . . . . 0.0 109.77 168.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.59 -29.72 69.37 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -172.406 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -56.15 -47.7 77.7 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.705 0.802 . . . . 0.0 111.43 173.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.2 mm -87.61 -30.04 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.615 0.766 . . . . 0.0 110.309 -170.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.4 t80 -50.28 -36.83 33.26 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.474 1.11 . . . . 0.0 112.864 175.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -60.46 -22.01 62.99 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.893 0.877 . . . . 0.0 112.405 -178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.96 -22.83 52.63 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.546 0.739 . . . . 0.0 110.783 179.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.493 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.6 mp -97.62 -24.52 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.815 1.246 . . . . 0.0 109.956 -177.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.8 mm-40 -85.31 -49.77 7.89 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 116.336 1.976 . . . . 0.0 116.336 170.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.12 -27.98 13.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 116.249 1.944 . . . . 0.0 116.249 -165.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.0 -27.62 1.0 Allowed Glycine 0 CA--C 1.525 0.68 0 CA-C-N 118.71 0.686 . . . . 0.0 112.282 -169.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.62 159.69 0.14 Allowed 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 128.714 2.805 . . . . 0.0 113.263 173.326 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 40.5 p -95.01 -0.93 53.34 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.181 -0.918 . . . . 0.0 112.882 -174.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.89 135.06 19.54 Favored Pre-proline 0 N--CA 1.452 -0.335 0 C-N-CA 124.339 1.055 . . . . 0.0 109.677 169.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_exo -65.07 179.22 1.54 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.025 2.483 . . . . 0.0 113.401 172.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.0 t70 . . . . . 0 N--CA 1.454 -0.271 0 C-N-CA 124.328 1.051 . . . . 0.0 112.56 176.334 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.282 0 O4'-C1'-N19 111.691 3.491 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.563 3.363 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 O4'-C1'-N19 112.804 4.604 . 0.518 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 1 O4'-C1'-N19 112.403 4.203 . 0.123 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.437 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.352 0 C3'-C2'-C1' 104.835 3.706 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.437 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.098 2 C5'-C4'-C3' 107.957 -5.029 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.427 ' O2 ' ' HB3' ' D' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 C5'-C4'-C3' 108.469 -4.687 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 C3'-C2'-C1' 103.9 2.667 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 0 O5'-C5'-C4' 113.268 2.192 . 0.013 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 C3'-C2'-C1' 104.492 3.324 . 0.115 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 O4'-C1'-N19 111.447 3.247 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C4'-C3' 108.589 2.206 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C5'-C4'-C3' 110.841 -3.106 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 100.449 -2.251 . 0.829 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.662 3.462 . 0.807 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 0 O4'-C1'-N19 111.767 3.567 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 110.117 -3.589 . 0.903 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 113.376 5.176 . 0.189 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 O4'-C1'-N19 110.939 2.739 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.855 3.655 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 O4'-C1'-N19 112.459 4.259 . 0.637 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.033 0 O4'-C1'-N19 110.996 2.796 . 0.047 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.777 4.577 . 0.602 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 112.139 3.939 . 0.582 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 C5'-C4'-C3' 110.397 -3.402 . 0.318 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.956 0 O4'-C1'-N19 111.221 3.021 . 0.287 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.434 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.298 0 C5'-C4'-C3' 111.515 -2.657 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.421 " O2'" ' HE2' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-C3' 111.591 -2.606 . 0.065 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 C5'-C4'-C3' 111.57 -2.62 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.563 3.363 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C4'-C3'-C2' 100.16 -2.54 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.249 3.049 . 0.571 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.315 4.115 . 0.878 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 C4'-C3'-C2' 99.047 -3.653 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C4'-C3'-C2' 99.765 -2.935 . 0.12 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 111.57 3.37 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 P-O3'-C3' 122.702 2.502 . 0.01 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 C5'-C4'-C3' 110.676 -3.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C3'-C2'-C1' 104.074 2.859 . 0.351 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 1 O4'-C1'-N19 113.324 5.124 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.405 1 C5'-C4'-C3' 108.544 -4.637 . 0.028 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 O4'-C1'-N19 112.208 4.008 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 2 O4'-C1'-N19 114.467 6.267 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 1 O4'-C1'-N19 112.416 4.216 . 0.103 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 1 O4'-C1'-N19 112.258 4.058 . 0.446 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 C4'-C3'-C2' 99.789 -2.911 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 111.685 3.485 . 0.499 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 1 C3'-C2'-C1' 105.458 4.398 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.073 2.873 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 112.04 3.84 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . 0.45 ' C2 ' " H1'" ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.403 2 O5'-C5'-C4' 116.637 4.598 . 0.012 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.449 H5'' " C2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.411 -3.477 1 O5'-C5'-C4' 117.868 5.477 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . 0.45 " H1'" ' C2 ' ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C5'-C4'-C3' 112.046 -2.302 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 1 O4'-C1'-N19 112.3 4.1 . 0.922 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 C4'-C3'-C2' 100.502 -2.198 . 0.654 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 110.838 2.638 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 C5'-C4'-C3' 112.022 -2.318 . 0.026 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 0 O4'-C1'-N19 112.031 3.831 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 112.163 3.963 . 0.205 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 O4'-C1'-N19 111.683 3.483 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.954 0 O4'-C1'-N19 111.816 3.616 . 0.608 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O4'-C1'-N19 112.519 4.319 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.249 0 C5'-C4'-C3' 111.307 -2.795 . 0.448 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 C4'-C3'-C2' 99.174 -3.526 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.022 2.822 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.385 0 C5'-C4'-C3' 110.866 -3.089 . 0.158 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 2 C5'-C4'-C3' 105.018 -6.988 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 P-O3'-C3' 125.851 5.126 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.04 0 N19-C1'-C2' 109.155 -2.653 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 1 O4'-C1'-N19 112.61 4.41 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 111.017 2.817 . 0.412 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.148 2.948 . 0.447 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.9 ttp . . . . . 0 N--CA 1.474 0.76 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.56 116.11 28.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.536 0.734 . . . . 0.0 109.78 -177.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -100.15 138.87 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.692 0.797 . . . . 0.0 110.45 178.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.4 mt -136.4 163.23 30.95 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.58 1.152 . . . . 0.0 109.287 176.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 88.3 m -126.8 100.92 6.38 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.2 mmp_? -106.14 135.5 47.5 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.064 0.546 . . . . 0.0 110.661 -174.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -92.57 156.56 17.04 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.631 HG11 HG13 ' A' ' 25' ' ' VAL . 33.1 m -62.47 135.08 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 119.788 -0.765 . . . . 0.0 111.567 -170.468 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.03 -1.18 67.48 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 124.326 0.965 . . . . 0.0 114.363 -172.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -96.79 171.35 8.57 Favored 'General case' 0 CA--C 1.53 0.191 0 CA-C-N 118.971 1.386 . . . . 0.0 111.833 176.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 68.9 m -140.55 159.69 41.64 Favored 'General case' 0 N--CA 1.458 -0.071 0 N-CA-C 113.181 0.808 . . . . 0.0 113.181 -169.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.3 mm -131.52 156.17 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 126.878 2.071 . . . . 0.0 108.153 177.157 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -128.95 143.97 51.04 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.826 1.251 . . . . 0.0 109.807 -177.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.0 132.81 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.787 0.835 . . . . 0.0 109.313 -176.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 63.17 -129.79 40.99 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.926 -0.87 . . . . 0.0 110.926 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -129.94 4.94 4.94 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.991 0.916 . . . . 0.0 112.5 172.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -135.4 -7.56 2.24 Favored 'General case' 0 N--CA 1.455 -0.214 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 -169.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.1 mt -118.24 139.82 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.165 0.986 . . . . 0.0 110.398 -175.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 90.1 m -138.88 145.62 40.17 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.957 0.903 . . . . 0.0 109.595 177.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -126.61 143.6 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 125.09 1.356 . . . . 0.0 108.352 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.7 m -138.92 133.12 31.44 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.392 0.677 . . . . 0.0 109.95 179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.04 109.82 17.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 171.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.4 mt -78.96 -31.76 45.12 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.051 -0.405 . . . . 0.0 110.114 -175.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.435 ' HA2' ' CG1' ' A' ' 8' ' ' VAL . . . 157.6 -176.97 34.61 Favored Glycine 0 C--N 1.339 0.695 0 N-CA-C 116.071 1.188 . . . . 0.0 116.071 165.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.631 HG13 HG11 ' A' ' 8' ' ' VAL . 23.8 m -87.56 155.94 3.22 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.953 0.901 . . . . 0.0 112.037 -171.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 72.5 m -143.31 60.89 1.4 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.82 1.248 . . . . 0.0 110.0 169.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.59 -121.94 18.8 Favored Glycine 0 CA--C 1.526 0.78 0 O-C-N 121.606 -0.683 . . . . 0.0 111.417 -173.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 26.3 tt0 -77.56 -4.57 46.44 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.535 0.734 . . . . 0.0 111.98 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.8 mt-30 -98.86 160.97 13.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-O 121.986 0.898 . . . . 0.0 111.354 169.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 49.0 t -141.94 129.61 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 125.553 1.541 . . . . 0.0 108.024 -170.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.555 ' HG2' HG23 ' B' ' 5' ' ' THR . 42.6 mtm-85 -104.33 101.95 11.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 122.98 0.512 . . . . 0.0 110.031 -175.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 56.1 mt -106.75 135.71 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 125.402 1.481 . . . . 0.0 109.455 -173.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.52 141.19 16.01 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 124.108 0.861 . . . . 0.0 111.444 171.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.37 137.33 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 125.521 1.528 . . . . 0.0 108.15 178.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.6 t-20 -128.52 74.88 1.59 Allowed 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.597 1.159 . . . . 0.0 109.144 -178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.42 154.78 47.66 Favored Pre-proline 0 N--CA 1.453 -0.282 0 CA-C-N 114.419 -1.264 . . . . 0.0 110.993 175.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -74.41 157.46 45.22 Favored 'Trans proline' 0 N--CA 1.45 -1.056 0 C-N-CA 122.701 2.268 . . . . 0.0 110.461 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -69.46 -1.06 7.51 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -65.88 -30.02 70.56 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.071 0.948 . . . . 0.0 111.22 168.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -120.43 144.08 30.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 123.819 0.848 . . . . 0.0 111.206 -178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.57 142.95 27.93 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 123.513 0.725 . . . . 0.0 110.745 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 17.9 m -133.61 124.37 47.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 122.972 0.509 . . . . 0.0 110.246 175.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 -153.8 161.09 42.36 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.826 0.85 . . . . 0.0 109.785 -174.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.489 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -86.05 166.51 15.8 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.006 -0.434 . . . . 0.0 111.983 171.684 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -68.72 -26.44 65.26 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.024 0.53 . . . . 0.0 112.191 -177.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.96 -22.27 62.27 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.632 1.173 . . . . 0.0 112.548 171.221 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.7 -25.69 2.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 124.421 1.088 . . . . 0.0 111.235 -172.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -62.78 -31.12 72.03 Favored 'General case' 0 N--CA 1.452 -0.33 0 O-C-N 121.425 -0.797 . . . . 0.0 110.538 -177.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -73.94 -11.43 60.35 Favored 'General case' 0 N--CA 1.45 -0.444 0 C-N-CA 123.894 0.878 . . . . 0.0 112.142 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -84.08 -30.63 25.85 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.688 1.195 . . . . 0.0 110.972 169.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.635 HG22 HE21 ' A' ' 52' ' ' GLN . 60.2 mt -69.54 -49.81 56.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 123.876 0.871 . . . . 0.0 109.197 178.001 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.635 HE21 HG22 ' A' ' 51' ' ' ILE . 54.9 mm-40 -84.05 5.28 26.51 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.862 1.265 . . . . 0.0 112.129 -178.033 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.2 -11.04 17.96 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.893 0.877 . . . . 0.0 112.681 172.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.19 14.52 1.23 Allowed Glycine 0 CA--C 1.523 0.568 0 CA-C-O 118.699 -1.056 . . . . 0.0 112.606 177.348 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.672 ' O ' HG23 ' A' ' 56' ' ' THR . 5.5 mt -91.75 86.54 5.98 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 119.193 1.497 . . . . 0.0 107.127 174.176 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.672 HG23 ' O ' ' A' ' 55' ' ' LEU . 15.3 p 165.34 133.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.159 0 O-C-N 120.512 -1.368 . . . . 0.0 108.346 -175.234 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.17 164.99 15.93 Favored Pre-proline 0 C--O 1.232 0.171 0 C-N-CA 124.111 0.964 . . . . 0.0 112.51 173.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -70.84 168.39 23.11 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.18 2.586 . . . . 0.0 111.712 168.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 N--CA 1.454 -0.263 0 C-N-CA 123.987 0.915 . . . . 0.0 112.542 -175.489 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.412 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 33.4 tpp . . . . . 0 N--CA 1.473 0.723 0 CA-C-O 119.727 -0.178 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -114.61 123.48 49.42 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.01 1.324 . . . . 0.0 107.508 168.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.455 HD11 " H5'" ' G' ' 52' ' ' ' A' . 59.7 mt -120.03 142.2 36.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -165.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -138.22 142.07 39.97 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.212 1.405 . . . . 0.0 110.946 -176.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.555 HG23 ' HG2' ' A' ' 31' ' ' ARG . 90.5 m -122.14 101.97 7.86 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 108.524 -0.917 . . . . 0.0 108.524 176.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 20.8 mtp85 -128.21 162.3 27.3 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.196 0.998 . . . . 0.0 110.572 -169.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -94.87 168.72 10.62 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-O 121.225 0.536 . . . . 0.0 112.443 -178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -62.41 137.98 23.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 CA-C-O 121.289 0.566 . . . . 0.0 110.997 174.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.27 -2.02 83.0 Favored Glycine 0 CA--C 1.525 0.715 0 CA-C-O 119.098 -0.835 . . . . 0.0 114.294 -175.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.56 159.85 22.69 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-N 119.01 1.405 . . . . 0.0 112.096 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -127.87 148.63 50.48 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 111.132 -174.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.489 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 25.8 mt -138.98 158.63 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.144 1.377 . . . . 0.0 109.422 -173.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -137.83 145.95 42.89 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.467 0.707 . . . . 0.0 112.138 -170.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 72.7 mt -136.2 131.23 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 124.41 1.084 . . . . 0.0 109.583 177.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.94 -134.99 52.2 Favored Glycine 0 CA--C 1.526 0.738 0 N-CA-C 111.21 -0.756 . . . . 0.0 111.21 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -126.71 5.04 6.71 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.571 0.749 . . . . 0.0 112.278 173.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -118.57 -11.97 9.83 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.897 0.879 . . . . 0.0 112.874 -176.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.55 135.7 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 119.0 0.818 . . . . 0.0 111.236 -172.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -130.47 148.69 52.31 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.912 1.285 . . . . 0.0 109.556 171.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 30.5 mm -127.56 147.22 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 C-N-CA 126.203 1.801 . . . . 0.0 108.225 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -141.23 131.01 24.23 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 122.815 0.446 . . . . 0.0 109.841 176.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -85.09 104.85 13.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 170.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -73.29 -32.49 64.66 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.983 -0.448 . . . . 0.0 111.009 -177.484 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.78 176.12 31.5 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 112.414 -0.274 . . . . 0.0 112.414 174.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -104.23 146.13 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 CA-C-O 121.48 0.657 . . . . 0.0 110.324 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 37.9 t -123.05 65.85 0.98 Allowed 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 125.599 1.56 . . . . 0.0 107.531 178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.61 -119.71 5.18 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-N 115.065 -0.971 . . . . 0.0 111.78 -171.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.62 6.79 47.11 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.214 0.605 . . . . 0.0 111.095 173.394 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.92 159.13 15.17 Favored 'General case' 0 N--CA 1.447 -0.597 0 C-N-CA 124.228 1.011 . . . . 0.0 109.269 169.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.1 t -140.05 116.56 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 CA-C-N 116.196 -0.457 . . . . 0.0 109.825 -170.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -83.91 116.89 23.0 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.532 1.133 . . . . 0.0 109.724 177.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.97 133.46 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.463 1.105 . . . . 0.0 109.694 -171.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.99 141.54 15.49 Favored Glycine 0 C--N 1.334 0.466 0 C-N-CA 123.651 0.644 . . . . 0.0 111.895 170.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.5 mt -126.28 133.24 69.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 124.163 0.985 . . . . 0.0 108.965 177.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.2 t-20 -132.84 80.94 1.92 Allowed 'General case' 0 N--CA 1.448 -0.525 0 CA-C-N 114.874 -1.057 . . . . 0.0 109.544 -168.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.12 74.67 Favored Pre-proline 0 N--CA 1.45 -0.432 0 CA-C-N 114.043 -1.435 . . . . 0.0 109.78 178.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 28.2 Cg_endo -59.39 158.88 25.13 Favored 'Trans proline' 0 N--CA 1.449 -1.123 0 C-N-CA 122.054 1.836 . . . . 0.0 111.704 169.704 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -72.81 -0.73 14.18 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.697 0.799 . . . . 0.0 112.332 169.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -66.0 -17.7 64.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.362 1.465 . . . . 0.0 111.9 169.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m -122.34 144.21 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.638 1.175 . . . . 0.0 110.481 178.198 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.36 142.98 27.48 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.381 0.61 . . . . 0.0 111.927 171.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -144.92 98.17 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 CA-C-N 114.83 -1.077 . . . . 0.0 109.852 -166.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.552 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.2 OUTLIER -147.65 165.37 30.65 Favored 'General case' 0 C--N 1.339 0.125 0 C-N-CA 123.879 0.872 . . . . 0.0 111.705 -179.542 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 28.5 ptt-85 -68.48 157.02 36.79 Favored 'General case' 0 C--O 1.227 -0.108 0 C-N-CA 123.085 0.554 . . . . 0.0 111.821 170.052 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -53.35 -44.01 68.19 Favored 'General case' 0 CA--C 1.527 0.063 0 C-N-CA 123.607 0.763 . . . . 0.0 112.644 -175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -68.92 -6.31 26.64 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -179.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -102.38 -49.48 10.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.662 1.185 . . . . 0.0 110.173 171.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 86.5 t80 -51.02 -36.98 42.46 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 125.178 1.391 . . . . 0.0 112.007 -178.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 77.1 mt-30 -69.86 -20.86 63.39 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.172 0.804 . . . . 0.0 113.172 -175.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.464 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.2 mpt_? -81.33 -37.84 27.69 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 119.056 0.844 . . . . 0.0 110.681 169.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.464 HG22 ' NE2' ' B' ' 52' ' ' GLN . 98.3 mt -66.8 -39.48 83.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 -175.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.464 ' NE2' HG22 ' B' ' 51' ' ' ILE . 36.1 mm-40 -79.2 5.01 13.24 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 172.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -83.99 -8.87 59.04 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.421 0.688 . . . . 0.0 112.798 170.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 129.93 41.07 0.25 Allowed Glycine 0 C--N 1.337 0.623 0 CA-C-O 119.464 -0.631 . . . . 0.0 114.448 169.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -167.02 -172.99 2.2 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.968 0.884 . . . . 0.0 113.167 -167.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 8.8 m -130.34 170.95 13.47 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 125.574 1.55 . . . . 0.0 108.47 168.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -35.98 119.7 0.69 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 125.215 1.406 . . . . 0.0 111.709 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -65.67 178.78 2.02 Favored 'Trans proline' 0 N--CA 1.453 -0.88 0 C-N-CA 122.479 2.119 . . . . 0.0 113.965 -169.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 123.751 0.82 . . . . 0.0 112.544 175.208 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpp . . . . . 0 N--CA 1.474 0.727 0 N-CA-C 102.568 -3.123 . . . . 0.0 102.568 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.36 104.23 13.3 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 120.253 1.388 . . . . 0.0 108.586 174.613 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -77.5 136.77 23.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.011 0.924 . . . . 0.0 110.023 177.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 77.3 mt -134.37 134.99 42.35 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.848 1.259 . . . . 0.0 109.912 172.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.0 p -88.69 136.31 33.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.171 -0.331 . . . . 0.0 110.342 169.653 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.453 ' HE ' ' HA ' ' C' ' 6' ' ' ARG . 2.7 mmp_? -133.09 137.59 46.41 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.329 0.652 . . . . 0.0 110.535 169.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -95.31 151.84 18.9 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.063 0.945 . . . . 0.0 108.582 174.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -54.91 135.1 17.98 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-N 119.136 0.88 . . . . 0.0 113.31 -168.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.76 -5.37 83.56 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.275 1.416 . . . . 0.0 114.082 -176.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -85.09 169.61 13.74 Favored 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 119.312 1.556 . . . . 0.0 112.17 175.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 70.0 m -136.07 161.27 36.17 Favored 'General case' 0 C--N 1.339 0.131 0 N-CA-C 113.507 0.929 . . . . 0.0 113.507 -169.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 27.2 mt -138.14 153.12 26.53 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.076 0 C-N-CA 126.422 1.889 . . . . 0.0 109.43 179.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -119.39 144.56 46.84 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.619 1.167 . . . . 0.0 111.881 177.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 16.3 mm -132.37 135.79 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.886 1.274 . . . . 0.0 108.859 -177.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.23 -133.23 45.83 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.639 -0.985 . . . . 0.0 110.639 -169.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -128.44 10.03 6.14 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.723 0.809 . . . . 0.0 111.417 169.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.39 -5.64 4.26 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 124.502 1.121 . . . . 0.0 112.602 -172.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -125.61 144.56 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.772 0.829 . . . . 0.0 110.653 -173.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.1 m -136.71 149.69 48.03 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.459 1.103 . . . . 0.0 110.037 176.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 32.8 mm -129.4 145.35 35.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.775 1.63 . . . . 0.0 108.503 -178.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 16.5 m -137.66 132.47 33.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.165 0.439 . . . . 0.0 111.236 179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.73 109.47 16.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 167.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.1 mt -84.57 -34.64 23.17 Favored 'General case' 0 N--CA 1.453 -0.281 0 O-C-N 121.925 -0.484 . . . . 0.0 109.742 -176.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.02 -173.02 43.5 Favored Glycine 0 CA--C 1.524 0.61 0 CA-C-N 116.908 -0.133 . . . . 0.0 113.006 169.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -120.59 153.98 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.279 0.632 . . . . 0.0 110.665 174.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 67.5 m -142.11 93.26 2.52 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.472 1.109 . . . . 0.0 108.507 176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.62 -123.79 14.19 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.265 -1.134 . . . . 0.0 110.265 -168.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -93.76 -3.41 52.21 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.998 0.919 . . . . 0.0 112.006 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 10.1 mt-30 -82.58 156.29 24.02 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.497 0.719 . . . . 0.0 110.851 174.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.1 t -134.41 117.18 23.64 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.472 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 -177.598 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 16.5 ttm180 -78.04 114.35 16.83 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 169.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 14.2 mt -116.13 126.75 73.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.735 1.214 . . . . 0.0 109.496 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.73 142.76 18.0 Favored Glycine 0 CA--C 1.524 0.626 0 C-N-CA 125.189 1.376 . . . . 0.0 111.517 170.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.459 ' O ' ' HA ' ' D' ' 1' ' ' MET . 62.5 mt -130.07 133.84 63.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 N-CA-C 107.968 -1.123 . . . . 0.0 107.968 176.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -135.9 91.64 2.72 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 122.949 0.5 . . . . 0.0 109.898 -173.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.7 154.3 81.76 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 124.188 0.995 . . . . 0.0 109.995 179.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -62.98 151.6 83.77 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.609 2.206 . . . . 0.0 110.903 170.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 17.0 mmmt -67.26 -0.99 3.92 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 123.453 0.701 . . . . 0.0 112.359 172.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -65.9 -21.65 66.46 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.751 1.221 . . . . 0.0 111.314 168.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.5 m -127.35 154.82 38.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.505 1.122 . . . . 0.0 110.817 175.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.27 153.4 20.5 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 122.65 0.38 . . . . 0.0 111.881 -179.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.3 m -137.34 131.32 44.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.379 0.672 . . . . 0.0 109.649 169.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 -152.4 167.4 28.85 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.586 0.754 . . . . 0.0 110.925 177.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.42 ' HA ' HD13 ' D' ' 12' ' ' ILE . 30.3 ptt-85 -87.5 162.86 17.0 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 167.277 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -60.53 -35.53 76.23 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.074 0.55 . . . . 0.0 111.73 -169.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -74.26 -14.99 61.0 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 113.739 1.014 . . . . 0.0 113.739 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.4 mm -102.02 -35.01 3.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 123.876 0.871 . . . . 0.0 110.868 173.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 84.1 t80 -53.23 -33.78 54.32 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.797 1.239 . . . . 0.0 112.235 -178.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -60.96 -26.14 67.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.674 0.789 . . . . 0.0 112.571 179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.9 ttt180 -69.86 -37.03 75.99 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.599 0.76 . . . . 0.0 111.799 173.343 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.439 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.3 mp -69.35 -19.5 23.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 177.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -96.72 1.95 51.51 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.087 0.955 . . . . 0.0 112.571 174.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -0.14 56.16 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.897 0.879 . . . . 0.0 112.898 -177.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.95 6.44 67.09 Favored Glycine 0 CA--C 1.525 0.711 0 CA-C-O 119.535 -0.591 . . . . 0.0 112.67 -176.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.405 ' N ' HD22 ' C' ' 55' ' ' LEU . 1.8 mm? 58.8 -167.94 0.15 Allowed 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.684 1.593 . . . . 0.0 111.728 174.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 13.3 t -79.02 -17.87 54.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 122.988 0.515 . . . . 0.0 112.309 174.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -142.44 131.73 12.04 Favored Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 124.113 0.965 . . . . 0.0 110.065 174.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -64.15 173.67 4.82 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.915 2.41 . . . . 0.0 113.159 174.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.2 t70 . . . . . 0 N--CA 1.454 -0.264 0 C-N-CA 123.861 0.865 . . . . 0.0 112.64 178.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.459 ' HA ' ' O ' ' C' ' 34' ' ' ILE . 52.9 mmm . . . . . 0 N--CA 1.474 0.748 0 N-CA-C 117.317 2.34 . . . . 0.0 117.317 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -135.07 110.62 9.16 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 126.934 2.094 . . . . 0.0 107.103 166.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.9 mp -107.0 141.38 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.946 1.298 . . . . 0.0 109.91 -169.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 93.0 mt -139.64 167.16 22.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.833 1.253 . . . . 0.0 111.804 -177.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -116.34 117.21 29.33 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.127 0.971 . . . . 0.0 109.302 165.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.403 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.2 OUTLIER -114.92 140.44 49.0 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.325 0.65 . . . . 0.0 110.279 167.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 12.6 mmtp -80.48 164.09 23.27 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 110.156 -0.312 . . . . 0.0 110.156 168.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.566 HG11 HG12 ' D' ' 25' ' ' VAL . 19.2 m -49.96 137.59 6.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.31 168.115 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.7 0.76 85.86 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-O 119.132 -0.816 . . . . 0.0 114.342 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -100.77 173.13 6.66 Favored 'General case' 0 CA--C 1.529 0.167 0 CA-C-N 118.65 1.225 . . . . 0.0 112.024 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -137.01 156.03 48.95 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.658 0.984 . . . . 0.0 113.658 -169.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.42 HD13 ' HA ' ' C' ' 44' ' ' ARG . 41.4 mm -137.08 156.3 33.96 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 127.681 2.392 . . . . 0.0 108.676 -176.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -134.33 147.31 50.54 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.302 1.041 . . . . 0.0 111.839 -175.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -135.06 138.59 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.515 1.126 . . . . 0.0 109.061 176.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.31 -134.49 52.3 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.294 -0.722 . . . . 0.0 111.294 -175.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -130.05 9.98 5.37 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.029 0.932 . . . . 0.0 112.612 173.368 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.2 m-20 -131.19 -6.64 3.85 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -115.29 136.74 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 119.036 0.835 . . . . 0.0 110.631 -173.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 86.8 m -134.89 148.04 50.0 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.809 1.243 . . . . 0.0 109.668 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.5 mm -130.43 141.02 47.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 125.528 1.531 . . . . 0.0 107.876 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 89.3 m -137.15 124.84 22.36 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.166 0.586 . . . . 0.0 109.608 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.4 111.32 16.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 174.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 57.1 mt -82.18 -29.88 31.27 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.474 0.709 . . . . 0.0 110.771 -171.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.13 -178.77 41.67 Favored Glycine 0 C--N 1.336 0.537 0 CA-C-O 120.986 0.215 . . . . 0.0 112.867 168.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.566 HG12 HG11 ' D' ' 8' ' ' VAL . 7.4 p -124.04 135.12 64.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 124.509 1.124 . . . . 0.0 109.827 -179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 54.6 m -132.6 71.07 1.46 Allowed 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 124.955 1.302 . . . . 0.0 109.956 -169.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.57 -117.51 4.53 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.809 -0.917 . . . . 0.0 110.809 -174.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -85.35 -19.41 31.49 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 124.457 1.103 . . . . 0.0 110.551 172.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -77.38 150.3 35.12 Favored 'General case' 0 N--CA 1.451 -0.419 0 C-N-CA 123.665 0.786 . . . . 0.0 111.168 178.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 48.0 t -133.22 121.11 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.074 -1.454 . . . . 0.0 107.074 176.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -95.98 109.83 22.15 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.653 0.781 . . . . 0.0 109.01 -175.046 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.0 mt -116.07 128.53 73.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 123.626 0.771 . . . . 0.0 110.057 -168.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.32 138.5 14.14 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 124.22 0.914 . . . . 0.0 111.012 172.663 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.2 mp -122.0 141.7 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 55.9 t-20 -138.03 103.46 4.97 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.433 0.693 . . . . 0.0 109.615 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.72 156.91 75.87 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.111 0.964 . . . . 0.0 109.617 176.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.4 Cg_endo -63.72 152.87 78.54 Favored 'Trans proline' 0 N--CA 1.452 -0.916 0 C-N-CA 122.268 1.979 . . . . 0.0 110.726 170.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmmt -70.56 -0.95 9.58 Favored 'General case' 0 CA--C 1.526 0.052 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -69.14 -19.05 64.01 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.785 1.234 . . . . 0.0 111.485 168.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -128.1 160.02 38.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 124.664 1.185 . . . . 0.0 110.218 174.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.26 157.04 17.41 Favored 'General case' 0 N--CA 1.451 -0.411 0 N-CA-C 112.247 0.462 . . . . 0.0 112.247 -175.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -143.85 125.87 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.107 0.563 . . . . 0.0 110.126 170.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -147.01 159.92 43.0 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.592 0.757 . . . . 0.0 110.482 171.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 68.3 mtm-85 -69.32 160.53 31.1 Favored 'General case' 0 N--CA 1.456 -0.17 0 O-C-N 121.974 -0.454 . . . . 0.0 110.592 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -60.14 -32.7 71.27 Favored 'General case' 0 CA--C 1.529 0.137 0 CA-C-N 118.749 0.704 . . . . 0.0 112.736 -173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 pm0 -77.76 -26.32 49.76 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.434 -0.791 . . . . 0.0 112.917 176.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 28.5 mm -82.52 -39.17 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.474 0.709 . . . . 0.0 110.205 176.28 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -55.33 -37.96 68.11 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 125.36 1.464 . . . . 0.0 111.767 -176.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.5 mt-30 -60.24 -20.9 60.88 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.054 0.942 . . . . 0.0 112.879 177.405 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.8 mpt_? -80.24 -36.16 35.06 Favored 'General case' 0 C--O 1.226 -0.176 0 CA-C-N 119.058 0.845 . . . . 0.0 111.349 171.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.739 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.2 mp -77.97 -18.77 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-N 118.81 0.732 . . . . 0.0 110.304 -177.342 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 67.9 mm-40 -96.92 -5.44 38.02 Favored 'General case' 0 N--CA 1.452 -0.36 0 N-CA-C 113.14 0.793 . . . . 0.0 113.14 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.01 -35.11 5.77 Favored 'General case' 0 CA--C 1.529 0.15 0 N-CA-C 113.945 1.091 . . . . 0.0 113.945 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.44 88.58 0.07 OUTLIER Glycine 0 CA--C 1.522 0.528 0 C-N-CA 125.965 1.745 . . . . 0.0 109.26 -170.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.962 HD13 ' H ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER -75.68 151.85 37.62 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 126.738 2.015 . . . . 0.0 110.02 -168.5 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . 0.503 HG22 ' C4 ' ' G' ' 7' ' ' ' C' . 0.8 OUTLIER -142.49 177.01 8.58 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 113.946 1.091 . . . . 0.0 113.946 173.739 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . 47.12 63.32 10.33 Favored Pre-proline 0 N--CA 1.452 -0.366 0 C-N-CA 124.389 1.076 . . . . 0.0 111.745 -169.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -46.72 -42.57 24.19 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.604 2.869 . . . . 0.0 112.134 172.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.451 -0.402 0 C-N-CA 125.406 1.482 . . . . 0.0 108.289 -175.671 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -128.74 127.0 41.19 Favored 'General case' 0 N--CA 1.455 -0.187 0 CA-C-N 119.458 1.026 . . . . 0.0 110.757 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -118.83 142.17 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.619 1.168 . . . . 0.0 109.921 -178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -136.43 164.3 28.48 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 125.702 1.601 . . . . 0.0 110.735 179.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -138.0 97.23 3.36 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 123.012 0.525 . . . . 0.0 109.706 168.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -112.39 142.59 44.74 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 124.805 1.242 . . . . 0.0 111.635 -171.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.1 mtmt -80.92 166.8 20.54 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.583 179.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 19.4 m -63.14 141.72 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 O-C-N 122.052 -0.405 . . . . 0.0 111.574 174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.81 0.01 88.86 Favored Glycine 0 CA--C 1.526 0.753 0 C-N-CA 123.673 0.654 . . . . 0.0 113.764 -175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -87.89 173.87 8.68 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-N 118.561 1.18 . . . . 0.0 111.92 175.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.1 m -139.99 159.75 41.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.485 0.714 . . . . 0.0 112.014 -169.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 54.7 mt -151.25 154.39 8.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.178 0 C-N-CA 126.756 2.022 . . . . 0.0 108.469 -168.27 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -135.97 149.77 49.0 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -175.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 47.6 mt -137.17 139.29 44.39 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.78 1.232 . . . . 0.0 109.179 175.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.53 -137.13 50.11 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -176.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -129.48 10.08 5.63 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.104 0.962 . . . . 0.0 112.144 172.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -131.14 -5.05 3.88 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 113.518 0.933 . . . . 0.0 113.518 -179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.03 135.89 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 119.375 0.989 . . . . 0.0 110.823 -174.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 44.3 m -129.48 144.41 51.24 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.439 1.095 . . . . 0.0 110.078 175.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -126.89 138.18 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.025 1.33 . . . . 0.0 108.678 178.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 26.8 m -132.5 134.11 44.61 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.453 0.701 . . . . 0.0 110.037 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -89.11 108.83 19.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 172.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 mt -76.02 -29.26 58.05 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.018 0.527 . . . . 0.0 110.96 -176.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.27 -170.33 33.34 Favored Glycine 0 CA--C 1.526 0.763 0 C-N-CA 123.736 0.684 . . . . 0.0 112.902 170.036 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -126.06 158.84 35.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 CA-C-N 117.491 0.646 . . . . 0.0 112.212 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 49.5 p -149.13 97.03 2.62 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.802 1.241 . . . . 0.0 109.22 169.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.41 -122.32 17.66 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.331 -0.708 . . . . 0.0 111.331 -171.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 mm100 -89.07 -17.2 29.79 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 117.18 0.49 . . . . 0.0 112.02 174.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.88 141.76 51.2 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.61 0.764 . . . . 0.0 109.177 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.1 t -134.16 115.46 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.462 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 -176.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -85.44 122.57 29.77 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -128.69 135.49 62.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.733 0.813 . . . . 0.0 110.288 -168.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.53 143.28 15.65 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.449 1.023 . . . . 0.0 111.607 172.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.96 136.27 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.064 1.346 . . . . 0.0 109.077 -179.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 41.1 t-20 -136.9 99.01 3.91 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.779 -171.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.31 155.28 78.84 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 124.657 1.183 . . . . 0.0 110.52 176.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -61.6 158.47 36.76 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.86 2.373 . . . . 0.0 112.057 172.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 23.7 mmmt -73.21 -0.96 15.84 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.378 0.671 . . . . 0.0 112.744 173.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.62 -17.94 64.21 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 125.097 1.359 . . . . 0.0 112.34 169.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -127.55 162.45 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.066 0.947 . . . . 0.0 110.862 -179.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.87 156.39 16.91 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 179.081 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -155.05 125.58 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.308 0.643 . . . . 0.0 110.466 172.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -150.35 168.16 24.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.227 1.011 . . . . 0.0 110.048 174.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 26.9 ptt85 -78.81 165.25 23.76 Favored 'General case' 0 N--CA 1.455 -0.216 0 O-C-N 121.732 -0.605 . . . . 0.0 110.364 170.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -60.16 -25.47 65.56 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.933 0.493 . . . . 0.0 112.056 -171.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -65.89 -45.1 83.27 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.038 0.935 . . . . 0.0 112.343 175.241 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -85.29 -30.34 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.3 0.64 . . . . 0.0 110.336 -170.339 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -54.36 -32.52 57.11 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.128 0.971 . . . . 0.0 112.374 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 84.1 mt-30 -71.88 -23.86 61.57 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.422 0.689 . . . . 0.0 112.699 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -72.2 -22.97 61.19 Favored 'General case' 0 N--CA 1.458 -0.064 0 C-N-CA 123.272 0.629 . . . . 0.0 110.84 174.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -96.09 -46.49 13.05 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.433 0 C-N-CA 124.006 0.922 . . . . 0.0 109.66 -169.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 52.7 mm-40 -69.05 3.05 2.26 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 174.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.02 -19.64 65.92 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.239 1.015 . . . . 0.0 112.548 168.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.61 26.05 0.06 OUTLIER Glycine 0 CA--C 1.525 0.702 0 N-CA-C 115.134 0.813 . . . . 0.0 115.134 169.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -157.15 168.06 28.56 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.673 1.237 . . . . 0.0 112.238 -169.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 17.8 p -144.44 4.63 1.2 Allowed 'General case' 0 C--O 1.23 0.069 0 C-N-CA 123.841 0.856 . . . . 0.0 112.731 169.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.01 132.66 13.82 Favored Pre-proline 0 N--CA 1.453 -0.322 0 C-N-CA 123.717 0.807 . . . . 0.0 110.395 179.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -65.71 -178.79 1.05 Allowed 'Trans proline' 0 N--CA 1.453 -0.859 0 C-N-CA 123.189 2.593 . . . . 0.0 113.964 172.15 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.7 t0 . . . . . 0 N--CA 1.452 -0.371 0 C-N-CA 124.113 0.965 . . . . 0.0 112.692 -178.465 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 10.0 tpt . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 110.657 -0.127 . . . . 0.0 110.657 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.4 mt -101.74 149.09 24.51 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 122.885 0.474 . . . . 0.0 111.67 176.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -132.27 139.61 49.7 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 123.919 0.888 . . . . 0.0 109.048 173.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.4 mt -136.4 164.78 27.33 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 124.786 1.235 . . . . 0.0 110.115 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -127.76 97.44 4.83 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 169.027 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.02 137.93 42.02 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.788 1.635 . . . . 0.0 109.677 -172.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -102.55 167.38 9.96 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 120.176 1.353 . . . . 0.0 113.645 172.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -55.98 135.19 19.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 CA-C-N 115.101 -0.954 . . . . 0.0 112.526 -171.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.3 -0.58 78.35 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.135 0.874 . . . . 0.0 114.141 178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -98.91 170.52 8.68 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 118.524 1.162 . . . . 0.0 111.246 178.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.0 m -136.06 158.22 44.93 Favored 'General case' 0 C--N 1.338 0.077 0 N-CA-C 113.58 0.955 . . . . 0.0 113.58 -169.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.414 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 66.0 mt -138.03 158.06 32.59 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.187 0 C-N-CA 126.421 1.888 . . . . 0.0 108.587 -179.331 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -131.54 147.48 52.54 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.109 0.964 . . . . 0.0 111.967 -175.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 53.3 mt -135.81 140.61 43.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.358 1.063 . . . . 0.0 109.059 176.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.3 -135.74 51.6 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -174.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -129.74 10.0 5.51 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.965 0.906 . . . . 0.0 112.341 172.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -130.85 -12.6 3.72 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.02 136.22 41.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.064 0.847 . . . . 0.0 110.743 -175.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 56.7 m -129.72 144.37 51.26 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.58 1.152 . . . . 0.0 110.145 174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -124.74 141.97 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.688 1.595 . . . . 0.0 108.394 179.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 52.2 m -139.08 132.63 30.39 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.034 0.534 . . . . 0.0 110.192 178.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . 0.404 HG22 ' H ' ' F' ' 22' ' ' ILE . 2.0 tp -87.27 109.42 19.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 171.304 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 38.2 mt -81.13 -28.5 35.09 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.432 0.693 . . . . 0.0 111.429 -170.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.43 -172.69 35.43 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 123.594 0.616 . . . . 0.0 112.727 174.621 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 7.0 m -123.85 153.06 29.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.118 0.567 . . . . 0.0 111.41 176.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 71.2 m -140.46 89.89 2.31 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.66 170.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.53 -126.46 30.28 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.654 -0.578 . . . . 0.0 111.654 -171.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.1 mm100 -79.02 -17.94 54.43 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 173.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.74 146.42 44.39 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-O 121.518 0.675 . . . . 0.0 110.758 173.659 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -134.09 120.58 35.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.403 0 N-CA-C 107.168 -1.419 . . . . 0.0 107.168 -176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm105 -90.44 125.44 35.57 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.99 0.916 . . . . 0.0 108.87 -175.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -133.48 144.34 36.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.609 0.764 . . . . 0.0 110.522 -167.276 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.55 141.17 14.39 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.357 0.979 . . . . 0.0 111.352 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.7 137.71 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.695 1.198 . . . . 0.0 109.65 176.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.3 t-20 -127.4 108.35 10.76 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 124.745 1.218 . . . . 0.0 109.118 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.33 158.84 74.72 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 123.878 0.871 . . . . 0.0 111.303 179.177 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.9 Cg_endo -63.22 160.87 32.74 Favored 'Trans proline' 0 N--CA 1.449 -1.092 0 C-N-CA 122.68 2.253 . . . . 0.0 112.13 174.113 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 ptmt -64.4 -12.7 45.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 172.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -72.44 -12.74 61.23 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 125.175 1.39 . . . . 0.0 112.529 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m -130.4 167.33 25.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 124.117 0.967 . . . . 0.0 111.033 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -106.78 162.91 13.37 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 123.892 0.877 . . . . 0.0 111.262 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.13 126.32 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.337 0.655 . . . . 0.0 110.623 173.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -153.15 173.26 15.74 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.269 1.028 . . . . 0.0 109.993 177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ptt180 -71.65 157.3 38.2 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 167.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -64.45 -16.38 62.33 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -172.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 18.9 tp10 -62.16 -47.29 85.19 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 123.698 0.799 . . . . 0.0 111.457 173.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.2 mm -82.48 -28.12 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 122.898 0.479 . . . . 0.0 110.222 -173.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 74.0 t80 -56.46 -33.26 65.74 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.61 0.764 . . . . 0.0 112.441 176.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 85.0 mt-30 -72.33 -23.17 61.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.262 0.625 . . . . 0.0 112.514 -178.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -74.81 -22.93 58.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 C-N-CA 123.307 0.643 . . . . 0.0 110.974 172.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -95.38 -46.75 13.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.909 0.884 . . . . 0.0 110.334 -169.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -69.54 2.98 2.66 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 112.817 0.673 . . . . 0.0 112.817 176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.86 -16.61 64.42 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 124.142 0.977 . . . . 0.0 112.812 169.16 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 146.88 26.64 0.08 OUTLIER Glycine 0 CA--C 1.524 0.648 0 N-CA-C 115.165 0.826 . . . . 0.0 115.165 169.237 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -158.43 178.03 10.6 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.61 1.205 . . . . 0.0 112.153 -168.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 6.9 p -138.17 13.04 2.84 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.979 0.912 . . . . 0.0 112.752 169.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.63 130.15 12.16 Favored Pre-proline 0 N--CA 1.452 -0.363 0 C-N-CA 123.845 0.858 . . . . 0.0 110.246 176.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_exo -60.45 147.29 94.7 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.111 2.541 . . . . 0.0 113.044 174.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t0 . . . . . 0 CA--C 1.532 0.25 0 C-N-CA 125.313 1.445 . . . . 0.0 113.248 171.168 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 112.156 3.956 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 112.089 3.889 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 1 O4'-C1'-N19 112.925 4.725 . 0.459 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.513 3.313 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 C5'-C4'-C3' 109.829 -3.781 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 C4'-C3'-C2' 98.982 -3.718 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.739 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.909 2 O4'-C1'-N19 113.465 5.265 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.298 1 P-O3'-C3' 127.374 6.395 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 O5'-C5'-C4' 112.96 1.971 . 0.043 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 1 C3'-C2'-C1' 105.135 4.039 . 0.131 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 112.061 3.861 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C4'-C3' 109.038 2.527 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 C5'-C4'-C3' 110.777 -3.149 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C5'-C4'-C3' 112.032 -2.312 . 0.891 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 111.59 3.39 . 0.887 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 O4'-C1'-N19 111.55 3.35 . 0.566 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 111.513 3.313 . 0.889 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.234 1 O4'-C1'-N19 112.453 4.253 . 0.866 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 O4'-C1'-N19 110.886 2.686 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.747 3.547 . 0.714 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.645 4.445 . 0.465 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.381 3.181 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 112.997 4.797 . 0.568 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 O4'-C1'-N19 112.027 3.827 . 0.6 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 1 C5'-C4'-C3' 109.492 -4.005 . 0.471 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 99.794 -2.906 . 0.433 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.552 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 C4'-C3'-C2' 99.04 -3.66 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 0 C5'-C4'-C3' 112.257 -2.162 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 C5'-C4'-C3' 110.602 -3.265 OUTLIER-DELTA 0.013 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 C5'-C4'-C3' 109.399 -4.067 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 1 P-O3'-C3' 125.284 4.654 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.298 3.098 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.259 4.059 . 0.859 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C4'-C3'-C2' 99.035 -3.665 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.386 -3.314 . 0.376 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 O4'-C1'-N19 111.462 3.262 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 C4'-C3'-C2' 100.446 -2.254 . 0.057 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C5'-C4'-C3' 110.069 -3.621 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 0 C3'-C2'-C1' 104.063 2.848 . 0.221 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 1 O4'-C1'-N19 113.212 5.012 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.335 1 C5'-C4'-C3' 109.368 -4.088 . 0.037 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 O4'-C1'-N19 111.671 3.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 2 C5'-C4'-C3' 109.0 -4.333 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 1 O4'-C1'-N19 112.874 4.674 . 0.03 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 O4'-C1'-N19 112.408 4.208 . 0.314 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C4'-C3'-C2' 99.837 -2.863 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C1'-N19 112.12 3.92 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.449 3.277 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 99.264 -3.436 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.159 2.959 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 0 C5'-C4'-C3' 111.173 -2.885 . 0.409 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.455 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.415 -3.201 4 C3'-C2'-C1' 108.019 7.244 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 1 P-O3'-C3' 127.231 6.276 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.302 4.102 . 0.701 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C4'-C3'-C2' 100.088 -2.612 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 O4'-C1'-N19 111.063 2.863 . 0.675 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 1 O4'-C1'-N19 114.351 6.151 . 0.441 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.261 3.061 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 112.009 3.809 . 0.221 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 111.672 3.472 . 0.228 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 112.033 3.833 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 112.06 3.86 . 0.799 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 110.644 2.444 . 0.313 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 C4'-C3'-C2' 98.976 -3.724 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C5'-C4'-C3' 112.107 -2.262 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.489 0 C5'-C4'-O4' 112.67 2.478 . 0.146 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 2 C5'-C4'-C3' 104.952 -7.032 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 1 P-O3'-C3' 126.228 5.44 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.072 0 O4'-C1'-N19 110.958 2.758 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 O4'-C1'-N19 112.43 4.23 . 0.603 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 O4'-C1'-N19 111.01 2.81 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.383 3.183 . 0.672 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.5 ttp . . . . . 0 N--CA 1.473 0.716 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.63 114.15 25.78 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.442 0.697 . . . . 0.0 109.813 -175.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.14 136.01 30.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.527 0.731 . . . . 0.0 109.261 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.4 mt -132.04 159.35 39.06 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.137 0.975 . . . . 0.0 109.57 174.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 94.4 m -120.1 100.89 7.47 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 107.974 -1.121 . . . . 0.0 107.974 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -112.83 133.78 54.66 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.387 0.675 . . . . 0.0 110.736 -168.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -98.01 155.69 16.99 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 110.333 -0.247 . . . . 0.0 110.333 -174.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 53.8 t -48.4 126.64 3.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.53 0.732 . . . . 0.0 110.815 -177.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.96 -1.86 74.98 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 124.563 1.078 . . . . 0.0 114.232 177.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -98.33 168.97 9.89 Favored 'General case' 0 CA--C 1.529 0.155 0 CA-C-N 118.75 1.275 . . . . 0.0 111.328 176.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.8 m -134.12 151.44 51.37 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 -168.318 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.469 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 13.7 mm -112.74 156.7 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 126.092 1.757 . . . . 0.0 109.772 170.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.5 t-20 -129.86 141.28 50.84 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.501 1.121 . . . . 0.0 110.579 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -135.27 131.11 51.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.384 1.074 . . . . 0.0 109.582 -175.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.08 -128.28 25.4 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 179.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -128.75 1.33 5.45 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.986 0.914 . . . . 0.0 111.852 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -147.14 -3.56 0.57 Allowed 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -169.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -111.61 135.31 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 119.351 0.978 . . . . 0.0 110.589 177.551 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.5 m -130.76 145.31 51.92 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.903 0.881 . . . . 0.0 109.629 171.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.8 mm -126.89 144.25 37.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 124.896 1.278 . . . . 0.0 108.448 -176.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 59.3 m -137.26 134.57 36.31 Favored 'General case' 0 CA--C 1.523 -0.094 0 CA-C-N 118.568 0.622 . . . . 0.0 110.638 177.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -82.97 95.16 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.9 mt -69.06 -28.96 67.0 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.95 -0.469 . . . . 0.0 110.145 -175.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.39 -167.93 40.2 Favored Glycine 0 C--N 1.337 0.599 0 CA-C-N 117.753 0.251 . . . . 0.0 113.094 169.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 30.6 m -127.86 155.0 39.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.764 0.826 . . . . 0.0 111.235 -178.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 29' ' ' GLN . 58.7 m -130.45 60.97 1.61 Allowed 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.21 1.004 . . . . 0.0 110.29 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.21 -124.0 6.54 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -171.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 44.6 tt0 -76.4 4.11 9.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.731 0.812 . . . . 0.0 111.659 173.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.412 ' HB2' ' HB2' ' A' ' 26' ' ' SER . 83.4 mt-30 -98.91 163.38 12.62 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 124.214 1.006 . . . . 0.0 112.391 171.411 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -141.76 129.45 21.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.91 1.684 . . . . 0.0 108.556 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.557 ' HG2' HG23 ' B' ' 5' ' ' THR . 47.6 mtm-85 -111.14 101.93 10.41 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.112 0.965 . . . . 0.0 110.188 -174.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 45.1 mt -107.96 128.38 63.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 125.402 1.481 . . . . 0.0 109.459 -172.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.62 140.72 15.0 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.457 -0.657 . . . . 0.0 111.457 169.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 71.2 mt -115.09 134.14 59.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 125.343 1.457 . . . . 0.0 108.32 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -124.85 74.89 1.38 Allowed 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.384 1.074 . . . . 0.0 108.953 177.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.15 154.67 41.93 Favored Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 125.235 1.414 . . . . 0.0 110.625 171.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -74.08 157.01 47.04 Favored 'Trans proline' 0 N--CA 1.45 -1.058 0 C-N-CA 122.716 2.277 . . . . 0.0 110.535 176.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -70.2 -1.8 11.28 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -71.35 -22.62 61.88 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.967 0.907 . . . . 0.0 111.881 169.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m -119.5 144.09 29.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-O 121.885 0.85 . . . . 0.0 111.67 173.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 142.89 27.83 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.837 0.855 . . . . 0.0 110.762 -177.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -133.78 127.59 52.69 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.974 0.509 . . . . 0.0 110.521 176.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -153.47 166.45 32.65 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.022 0.929 . . . . 0.0 110.061 -173.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -97.47 163.55 12.82 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 170.422 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.16 -32.46 71.06 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.083 0.953 . . . . 0.0 112.287 -174.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 14.9 tp10 -65.71 -13.91 60.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.161 0.984 . . . . 0.0 112.734 176.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.77 -26.99 2.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 124.977 1.311 . . . . 0.0 111.215 -178.368 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -64.0 -30.95 71.98 Favored 'General case' 0 N--CA 1.453 -0.316 0 O-C-N 121.282 -0.886 . . . . 0.0 110.582 -174.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -73.06 -16.71 61.47 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.915 0.886 . . . . 0.0 111.898 178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -78.55 -30.17 46.76 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.198 0.999 . . . . 0.0 111.255 171.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.462 HG22 HE21 ' A' ' 52' ' ' GLN . 74.1 mt -71.92 -53.05 21.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.976 0.911 . . . . 0.0 109.404 177.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.462 HE21 HG22 ' A' ' 51' ' ' ILE . 86.9 mm-40 -77.18 5.15 8.88 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 123.917 0.887 . . . . 0.0 111.652 -175.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.68 -10.92 51.4 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.506 0.723 . . . . 0.0 112.826 169.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.7 18.37 4.41 Favored Glycine 0 CA--C 1.525 0.7 0 C-N-CA 124.164 0.887 . . . . 0.0 113.287 174.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -123.07 172.17 8.74 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.579 1.152 . . . . 0.0 111.656 -179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 23.6 p -143.15 165.95 26.0 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.248 1.019 . . . . 0.0 110.605 173.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.43 152.43 94.66 Favored Pre-proline 0 N--CA 1.454 -0.268 0 C-N-CA 123.076 0.55 . . . . 0.0 111.534 177.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 42.6 Cg_endo -71.26 164.47 35.64 Favored 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.291 2.661 . . . . 0.0 112.117 179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 39.1 t70 . . . . . 0 N--CA 1.453 -0.297 0 C-N-CA 124.847 1.259 . . . . 0.0 112.579 -178.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 119.498 -0.287 . . . . 0.0 110.723 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -115.34 121.65 43.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 107.449 -1.315 . . . . 0.0 107.449 168.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.4 mt -117.11 141.11 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -165.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.8 mt -135.16 137.86 43.13 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 124.866 1.266 . . . . 0.0 110.941 -177.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.557 HG23 ' HG2' ' A' ' 31' ' ' ARG . 95.8 m -119.62 106.53 12.26 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.606 0.762 . . . . 0.0 108.963 176.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -123.8 173.05 8.41 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.626 1.57 . . . . 0.0 109.421 -172.487 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.402 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 21.6 pttm -110.35 171.64 7.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 CA-C-N 118.526 0.603 . . . . 0.0 112.59 175.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -63.01 136.5 25.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 CA-C-O 121.248 0.547 . . . . 0.0 110.959 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.2 -0.45 78.47 Favored Glycine 0 CA--C 1.526 0.734 0 CA-C-O 119.252 -0.749 . . . . 0.0 114.173 -175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -92.39 162.64 14.17 Favored 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.648 1.224 . . . . 0.0 111.912 177.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 52.0 m -130.43 152.76 49.48 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.455 0.702 . . . . 0.0 112.789 -168.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.453 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.0 mt -141.02 157.21 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 125.866 1.666 . . . . 0.0 109.919 -173.522 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -137.92 145.24 41.84 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.61 0.764 . . . . 0.0 112.307 -171.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 71.7 mt -135.2 128.63 49.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.47 1.108 . . . . 0.0 109.618 177.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -135.07 52.16 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -177.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -126.53 4.35 6.85 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.495 0.718 . . . . 0.0 112.311 173.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -115.68 -14.08 11.44 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.772 0.829 . . . . 0.0 112.866 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -123.09 135.58 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.141 0.882 . . . . 0.0 111.272 -171.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.1 m -130.81 147.15 52.43 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.914 1.286 . . . . 0.0 109.739 171.235 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.3 mm -127.2 143.23 41.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.731 1.612 . . . . 0.0 108.4 -177.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -138.47 130.75 28.69 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 122.752 0.421 . . . . 0.0 109.905 178.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.65 106.12 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 31.2 mt -76.11 -31.63 58.76 Favored 'General case' 0 N--CA 1.452 -0.351 0 O-C-N 122.169 -0.332 . . . . 0.0 110.811 -178.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.62 178.88 35.92 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 172.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.7 m -109.6 155.12 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.223 0.535 . . . . 0.0 110.511 176.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -132.14 74.68 1.6 Allowed 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 124.651 1.18 . . . . 0.0 108.52 171.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.74 -120.48 6.03 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -172.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -93.96 6.33 48.82 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.349 0.66 . . . . 0.0 110.797 176.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -98.84 154.33 18.1 Favored 'General case' 0 N--CA 1.449 -0.493 0 C-N-CA 123.938 0.895 . . . . 0.0 109.759 170.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 18.9 t -139.23 115.12 9.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -170.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.36 115.2 21.91 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.492 1.117 . . . . 0.0 109.912 178.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -125.03 130.22 73.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.508 1.123 . . . . 0.0 109.581 -171.134 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.9 139.28 14.48 Favored Glycine 0 CA--C 1.523 0.533 0 N-CA-C 111.429 -0.668 . . . . 0.0 111.429 170.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 48.6 mt -124.84 131.41 72.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 C-N-CA 123.864 0.866 . . . . 0.0 108.908 176.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 37.2 t-20 -131.05 82.5 2.05 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.757 -1.111 . . . . 0.0 109.454 -168.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.35 157.3 76.64 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 114.153 -1.385 . . . . 0.0 109.841 177.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.411 ' O ' HG22 ' B' ' 40' ' ' VAL . 35.7 Cg_endo -60.47 157.14 37.74 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.682 1.588 . . . . 0.0 110.168 168.733 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.54 -0.78 18.77 Favored 'General case' 0 N--CA 1.455 -0.194 0 CA-C-O 122.164 0.983 . . . . 0.0 111.895 173.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -65.83 -16.84 64.19 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.928 1.691 . . . . 0.0 111.414 170.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.411 HG22 ' O ' ' B' ' 37' ' ' PRO . 15.3 m -120.28 144.12 30.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.807 1.243 . . . . 0.0 109.644 174.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.31 142.64 27.74 Favored 'General case' 0 N--CA 1.451 -0.402 0 CA-C-O 121.406 0.622 . . . . 0.0 111.53 172.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.4 t -143.75 97.26 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.557 -166.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.518 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -145.82 165.5 28.69 Favored 'General case' 0 C--N 1.339 0.115 0 C-N-CA 124.213 1.005 . . . . 0.0 111.164 179.585 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.469 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 34.3 ptt-85 -70.39 160.62 31.98 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 122.387 0.275 . . . . 0.0 111.529 169.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 35.2 mm-40 -58.5 -40.13 81.99 Favored 'General case' 0 N--CA 1.456 -0.13 0 O-C-N 121.851 -0.531 . . . . 0.0 112.331 -173.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -70.1 0.66 5.74 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.495 0.924 . . . . 0.0 113.495 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 mm -109.03 -50.69 7.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.426 1.09 . . . . 0.0 109.74 170.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -50.69 -37.25 40.15 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 125.009 1.324 . . . . 0.0 112.278 179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -69.55 -19.61 63.69 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 112.992 0.738 . . . . 0.0 112.992 -175.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -82.68 -38.59 23.19 Favored 'General case' 0 C--N 1.339 0.12 0 CA-C-N 118.704 0.684 . . . . 0.0 110.842 169.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.455 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.8 mt -66.07 -38.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.302 0.641 . . . . 0.0 109.371 -174.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.455 ' NE2' HG22 ' B' ' 51' ' ' ILE . 34.3 mm-40 -79.07 5.11 12.67 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.031 0.752 . . . . 0.0 113.031 172.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -88.8 -9.37 52.03 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 172.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.59 41.29 0.17 Allowed Glycine 0 C--N 1.339 0.712 0 CA-C-O 119.262 -0.743 . . . . 0.0 114.823 169.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.401 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -168.74 -175.09 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.078 0.939 . . . . 0.0 112.993 -168.28 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . 0.439 HG22 ' H ' ' B' ' 57' ' ' ALA . 10.5 m -126.53 173.38 9.46 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 125.418 1.487 . . . . 0.0 108.318 167.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.439 ' H ' HG22 ' B' ' 56' ' ' THR . . . -35.86 124.39 0.67 Allowed Pre-proline 0 N--CA 1.454 -0.247 0 C-N-CA 124.761 1.224 . . . . 0.0 111.835 177.543 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_exo -61.08 -178.76 0.26 Allowed 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 123.693 2.929 . . . . 0.0 113.565 -175.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.9 t0 . . . . . 0 N--CA 1.454 -0.252 0 C-N-CA 123.861 0.864 . . . . 0.0 112.909 -179.048 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpp . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -116.62 106.28 13.37 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 167.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -83.39 137.13 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 124.283 1.033 . . . . 0.0 109.743 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.0 mt -133.11 140.06 47.44 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.613 1.165 . . . . 0.0 110.226 173.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 47.2 p -101.02 143.31 31.31 Favored 'General case' 0 N--CA 1.456 -0.134 0 CA-C-O 120.839 0.352 . . . . 0.0 110.961 169.581 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.7 mmp_? -139.14 140.8 38.01 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.439 0.696 . . . . 0.0 110.271 173.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 8.9 tptm -76.13 157.24 33.03 Favored 'General case' 0 CA--C 1.528 0.103 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 168.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 28.3 m -59.2 134.68 24.23 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 O-C-N 121.375 -0.828 . . . . 0.0 111.538 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.5 -1.47 87.27 Favored Glycine 0 CA--C 1.529 0.968 0 C-N-CA 124.639 1.114 . . . . 0.0 113.854 -177.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 75.6 mt-10 -86.26 173.17 9.93 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 119.211 1.506 . . . . 0.0 111.774 174.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -135.15 157.24 47.43 Favored 'General case' 0 C--N 1.339 0.109 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 -166.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 57.2 mt -138.38 157.17 30.79 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 C-N-CA 127.391 2.277 . . . . 0.0 109.074 -177.256 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -130.92 146.65 52.4 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 125.209 1.404 . . . . 0.0 111.41 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.3 mt -135.17 132.7 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.111 0.964 . . . . 0.0 109.814 174.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.69 -134.44 51.32 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -176.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -130.07 10.12 5.38 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.006 0.922 . . . . 0.0 111.843 169.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.9 m-20 -123.9 -9.9 7.73 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.432 1.093 . . . . 0.0 113.064 -178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -123.39 138.0 54.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 CA-C-N 118.909 0.777 . . . . 0.0 110.909 -172.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 14.7 m -132.84 147.0 52.3 Favored 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 124.269 1.027 . . . . 0.0 109.656 176.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.6 mm -129.22 140.74 48.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.094 1.358 . . . . 0.0 108.857 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -133.69 132.43 40.65 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.939 0.496 . . . . 0.0 110.076 178.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.404 HD11 HG13 ' C' ' 30' ' ' VAL . 0.1 OUTLIER -92.69 112.51 26.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 106.814 -1.551 . . . . 0.0 106.814 169.321 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.504 HD13 " H1'" ' G' ' 67' ' ' ' C' . 7.5 mt -84.67 -43.8 14.02 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.683 -0.636 . . . . 0.0 110.321 -170.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.05 -177.63 47.72 Favored Glycine 0 CA--C 1.524 0.615 0 C-N-CA 121.443 -0.408 . . . . 0.0 113.242 169.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -120.96 150.58 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 123.159 0.583 . . . . 0.0 111.079 173.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -140.53 106.64 5.21 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.83 1.252 . . . . 0.0 108.078 172.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -119.89 15.5 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.642 -0.983 . . . . 0.0 110.642 -169.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 4.9 mm-40 -97.87 -7.29 30.62 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.789 0.835 . . . . 0.0 113.004 171.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -74.57 151.76 39.38 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 121.695 0.759 . . . . 0.0 110.926 175.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.404 HG13 HD11 ' C' ' 22' ' ' ILE . 38.6 t -133.64 114.36 20.17 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.566 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 -178.727 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.2 ttm180 -77.82 112.57 14.82 Favored 'General case' 0 N--CA 1.454 -0.226 0 N-CA-C 108.108 -1.071 . . . . 0.0 108.108 169.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.7 mt -117.14 132.44 66.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 125.141 1.376 . . . . 0.0 109.097 -177.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.21 142.25 15.54 Favored Glycine 0 CA--C 1.524 0.594 0 C-N-CA 124.353 0.978 . . . . 0.0 112.253 172.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . 0.454 ' O ' ' HA ' ' D' ' 1' ' ' MET . 72.7 mt -126.2 126.09 68.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.463 1.105 . . . . 0.0 108.862 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -120.29 101.58 7.9 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.402 0.681 . . . . 0.0 110.039 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.86 156.98 72.47 Favored Pre-proline 0 N--CA 1.453 -0.306 0 C-N-CA 123.979 0.911 . . . . 0.0 110.665 178.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.83 153.97 72.47 Favored 'Trans proline' 0 N--CA 1.453 -0.91 0 C-N-CA 123.105 2.537 . . . . 0.0 111.51 172.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -67.47 -0.69 3.95 Favored 'General case' 0 N--CA 1.458 -0.072 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 171.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -65.71 -21.64 66.55 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.19 0.996 . . . . 0.0 111.258 168.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -126.25 147.48 31.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.449 1.099 . . . . 0.0 110.496 175.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.3 156.28 19.27 Favored 'General case' 0 N--CA 1.452 -0.356 0 O-C-N 122.036 -0.415 . . . . 0.0 111.243 176.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.1 m -135.69 131.82 50.83 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.006 0.523 . . . . 0.0 109.79 170.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -153.34 157.13 39.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.532 0.733 . . . . 0.0 110.748 179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 68.5 mtm-85 -66.26 152.9 43.93 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 166.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -64.22 -27.71 69.24 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 119.23 0.923 . . . . 0.0 111.629 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -67.76 -26.22 66.01 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.849 0.86 . . . . 0.0 113.217 173.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -93.55 -29.69 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 124.116 0.966 . . . . 0.0 110.638 174.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 91.5 t80 -57.14 -41.94 80.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 O-C-N 121.187 -0.946 . . . . 0.0 111.124 178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 87.3 mt-30 -62.07 -25.54 67.75 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.319 0.648 . . . . 0.0 112.473 178.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -74.64 -38.68 62.44 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.567 0.747 . . . . 0.0 111.565 173.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.435 ' HA ' HD12 ' C' ' 55' ' ' LEU . 2.5 mp -65.14 -23.33 33.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 118.565 0.621 . . . . 0.0 110.395 172.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.5 mm-40 -87.76 -5.01 58.85 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 112.679 0.622 . . . . 0.0 112.679 175.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -92.36 -13.05 30.77 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.858 0.863 . . . . 0.0 112.52 178.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 90.03 139.71 7.81 Favored Glycine 0 CA--C 1.525 0.69 0 C-N-CA 124.025 0.821 . . . . 0.0 111.779 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' C' ' 51' ' ' ILE . 0.0 OUTLIER -151.87 14.84 0.64 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.908 0.883 . . . . 0.0 112.48 -169.6 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 10.8 m -61.9 -25.79 67.78 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.493 0.717 . . . . 0.0 111.396 -176.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -119.32 93.58 47.31 Favored Pre-proline 0 N--CA 1.451 -0.406 0 C-N-CA 124.62 1.168 . . . . 0.0 108.396 167.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 75.0 Cg_exo -56.99 -37.0 99.52 Favored 'Trans proline' 0 N--CA 1.453 -0.867 0 C-N-CA 123.23 2.62 . . . . 0.0 113.11 -175.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 20.8 t70 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 123.93 0.892 . . . . 0.0 110.781 -174.756 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.604 ' HG2' HD11 ' D' ' 3' ' ' ILE 0.292 4.0 tpp . . . . . 0 N--CA 1.474 0.759 0 N-CA-C 116.001 1.852 . . . . 0.0 116.001 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . 0.432 HD21 " H1'" ' G' ' 64' ' ' ' G' . 2.9 tm? -125.47 104.69 8.56 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 127.587 2.355 . . . . 0.0 107.905 169.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.604 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -94.51 143.82 10.95 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.208 0 C-N-CA 125.532 1.533 . . . . 0.0 110.268 -175.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -138.72 164.44 29.55 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 125.707 1.603 . . . . 0.0 111.593 -176.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -117.16 114.77 24.15 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.884 0.873 . . . . 0.0 108.857 165.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.499 ' HG3' HD11 ' D' ' 12' ' ' ILE . 1.0 OUTLIER -118.67 144.08 46.42 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 122.599 0.36 . . . . 0.0 110.218 169.434 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 35.4 mtmt -91.22 164.88 13.73 Favored 'General case' 0 N--CA 1.455 -0.193 0 O-C-N 123.032 0.207 . . . . 0.0 111.125 173.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 32.7 m -55.51 140.86 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 CA-C-O 121.067 0.46 . . . . 0.0 111.765 179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.57 -1.16 89.06 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.134 0.873 . . . . 0.0 114.067 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.3 mm-40 -90.59 171.26 9.52 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.756 1.278 . . . . 0.0 112.494 177.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -137.08 161.01 37.26 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.717 0.807 . . . . 0.0 112.46 -169.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.499 HD11 ' HG3' ' D' ' 6' ' ' ARG . 12.3 mt -152.41 157.83 4.7 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.089 0 C-N-CA 127.29 2.236 . . . . 0.0 108.635 -169.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -134.39 149.26 50.79 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.904 1.282 . . . . 0.0 111.485 -178.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -134.22 137.55 51.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.168 1.387 . . . . 0.0 108.927 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -134.78 52.23 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -175.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -125.12 4.74 7.88 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.735 0.814 . . . . 0.0 112.053 175.094 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.78 -5.02 2.48 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -172.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.47 136.28 55.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 118.803 0.729 . . . . 0.0 110.427 -175.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 28.9 m -129.75 143.17 50.69 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.531 1.133 . . . . 0.0 109.598 179.029 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.8 mm -126.48 140.33 49.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.65 1.18 . . . . 0.0 108.612 177.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 21.6 m -133.45 130.97 39.36 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.627 0.771 . . . . 0.0 109.203 179.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.27 106.03 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 N-CA-C 108.368 -0.975 . . . . 0.0 108.368 171.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.7 mt -78.37 -30.56 47.99 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.366 0.667 . . . . 0.0 110.623 -171.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -179.23 40.13 Favored Glycine 0 C--N 1.336 0.57 0 N-CA-C 112.616 -0.194 . . . . 0.0 112.616 172.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 14.3 m -108.03 159.8 7.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-O 121.027 0.442 . . . . 0.0 110.353 168.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 55.6 m -141.13 79.7 1.7 Allowed 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.503 1.121 . . . . 0.0 108.581 171.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.63 -111.76 3.68 Favored Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.255 -0.738 . . . . 0.0 111.255 -174.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -96.78 -9.57 28.57 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.01 0.924 . . . . 0.0 110.934 177.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.76 153.52 24.08 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-O 121.813 0.816 . . . . 0.0 111.405 169.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.8 t -132.33 120.22 42.22 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 N-CA-C 106.866 -1.531 . . . . 0.0 106.866 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.3 ttm-85 -94.35 110.32 22.1 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.221 1.008 . . . . 0.0 108.732 -174.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -119.28 127.25 75.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.79 0.836 . . . . 0.0 109.699 -169.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.81 134.7 12.31 Favored Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.773 -0.931 . . . . 0.0 110.773 173.121 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.3 mp -118.74 142.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 123.763 0.825 . . . . 0.0 108.883 174.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -138.03 106.44 5.82 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.462 0.705 . . . . 0.0 109.351 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.58 156.43 74.81 Favored Pre-proline 0 N--CA 1.451 -0.393 0 C-N-CA 124.402 1.081 . . . . 0.0 109.623 178.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_endo -62.25 151.38 82.6 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 122.242 1.961 . . . . 0.0 110.757 170.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.9 mmmm -70.16 -1.04 8.96 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 175.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -67.9 -20.72 65.13 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.873 1.269 . . . . 0.0 111.467 168.342 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -127.02 160.02 36.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.633 1.173 . . . . 0.0 110.705 175.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.13 16.35 Favored 'General case' 0 N--CA 1.451 -0.394 0 N-CA-C 112.541 0.571 . . . . 0.0 112.541 -176.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -148.93 126.37 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 O-C-N 121.878 -0.514 . . . . 0.0 109.912 168.453 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -149.57 166.44 29.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.765 0.826 . . . . 0.0 110.853 177.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.85 158.75 24.27 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 167.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -59.71 -34.74 73.3 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 118.914 0.779 . . . . 0.0 110.718 170.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 60.4 tt0 -48.05 -39.8 21.1 Favored 'General case' 0 N--CA 1.458 -0.065 0 C-N-CA 125.335 1.454 . . . . 0.0 112.555 170.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 12.5 mm -98.5 -36.06 5.44 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 124.775 1.23 . . . . 0.0 110.538 -169.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -56.76 -40.51 75.95 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 123.167 0.587 . . . . 0.0 110.638 169.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 64.4 mt-30 -65.1 -20.98 66.73 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.947 0.899 . . . . 0.0 112.664 176.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.517 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 6.7 mtt180 -83.8 -39.49 19.93 Favored 'General case' 0 CA--C 1.52 -0.182 0 C-N-CA 124.414 1.086 . . . . 0.0 112.039 170.115 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 87.9 mt -73.72 -37.95 50.19 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -175.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -80.25 2.09 25.89 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 123.818 0.847 . . . . 0.0 111.167 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.517 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -73.8 -10.9 60.14 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.934 0.894 . . . . 0.0 112.39 173.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 131.53 30.46 0.55 Allowed Glycine 0 C--N 1.338 0.683 0 CA-C-O 119.038 -0.868 . . . . 0.0 114.389 171.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -156.67 -173.62 4.56 Favored 'General case' 0 N--CA 1.454 -0.228 0 CA-C-N 118.833 1.317 . . . . 0.0 113.662 -167.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 29.4 m -132.11 159.02 40.11 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 125.875 1.67 . . . . 0.0 107.348 167.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -48.12 133.2 12.25 Favored Pre-proline 0 N--CA 1.454 -0.252 0 CA-C-N 118.122 0.419 . . . . 0.0 111.916 -169.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_exo -55.47 170.38 0.87 Allowed 'Trans proline' 0 N--CA 1.452 -0.94 0 C-N-CA 123.891 3.061 . . . . 0.0 114.251 -177.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 32.1 t70 . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 124.197 0.999 . . . . 0.0 113.051 -172.721 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 23.3 ttt . . . . . 0 N--CA 1.476 0.837 0 CA-C-O 119.421 -0.323 . . . . 0.0 110.29 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.94 136.24 53.11 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.214 0.606 . . . . 0.0 110.566 176.415 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.6 mm -115.66 125.21 72.76 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.484 1.114 . . . . 0.0 109.12 -177.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.39 155.37 33.58 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 125.886 1.674 . . . . 0.0 110.097 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 2.1 m -136.12 112.12 9.62 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 165.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 7.8 mmp_? -132.53 141.28 48.68 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.464 1.106 . . . . 0.0 110.292 -170.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -89.38 172.05 9.3 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 112.648 0.61 . . . . 0.0 112.648 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -60.7 139.27 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-O 121.016 0.436 . . . . 0.0 111.845 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.6 -3.01 87.4 Favored Glycine 0 CA--C 1.527 0.828 0 CA-C-O 119.225 -0.764 . . . . 0.0 114.155 -177.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 68.4 mm-40 -83.96 171.69 12.77 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.9 1.35 . . . . 0.0 111.728 173.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.92 156.67 47.63 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.755 0.822 . . . . 0.0 112.219 -177.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 32.4 mt -141.95 156.39 20.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 125.998 1.719 . . . . 0.0 108.265 -175.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -136.33 149.73 48.53 Favored 'General case' 0 N--CA 1.455 -0.197 0 O-C-N 121.322 -0.861 . . . . 0.0 112.919 -173.013 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.8 mt -136.84 141.03 41.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 124.668 1.187 . . . . 0.0 109.007 179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.64 -138.54 48.13 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.478 -0.649 . . . . 0.0 111.478 -176.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -126.5 10.06 7.23 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.939 0.896 . . . . 0.0 112.311 173.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -133.56 -5.39 2.9 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -114.84 135.77 53.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 CA-C-N 119.375 0.988 . . . . 0.0 110.933 -173.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.0 m -128.3 146.4 50.77 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.38 1.072 . . . . 0.0 110.384 175.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.8 mm -126.45 140.52 48.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 125.919 1.688 . . . . 0.0 108.22 177.84 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 42.1 m -136.6 132.28 34.9 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.133 0.573 . . . . 0.0 109.951 177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -86.14 109.91 19.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 173.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.3 mt -78.32 -28.26 47.35 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 122.921 0.489 . . . . 0.0 110.862 -175.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.05 -172.89 33.39 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 123.405 0.526 . . . . 0.0 113.463 169.635 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.1 m -119.94 158.83 21.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 123.617 0.767 . . . . 0.0 112.05 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.1 p -148.47 89.98 1.75 Allowed 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.94 1.296 . . . . 0.0 109.409 169.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.32 -112.04 3.97 Favored Glycine 0 CA--C 1.525 0.712 0 O-C-N 121.48 -0.763 . . . . 0.0 111.63 -175.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -93.7 -19.25 21.27 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.676 0.738 . . . . 0.0 111.636 171.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -72.31 146.23 47.3 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.457 0.646 . . . . 0.0 110.197 177.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -137.63 115.23 12.89 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 N-CA-C 106.92 -1.511 . . . . 0.0 106.92 -175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -85.96 124.26 32.21 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -131.0 135.88 59.1 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.609 0.764 . . . . 0.0 110.255 -168.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.09 146.15 16.03 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.675 1.131 . . . . 0.0 111.729 173.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 59.2 mt -136.59 134.89 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 125.211 1.404 . . . . 0.0 108.834 -177.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 46.0 t-20 -135.64 101.16 4.69 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 -173.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.98 155.63 76.19 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.773 1.229 . . . . 0.0 110.407 178.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -62.92 158.53 42.62 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 122.934 2.422 . . . . 0.0 111.901 171.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -73.8 -0.95 17.35 Favored 'General case' 0 N--CA 1.458 -0.07 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 172.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.82 -19.52 65.76 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.561 1.145 . . . . 0.0 111.702 168.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -126.48 161.41 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.352 1.061 . . . . 0.0 110.736 179.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.18 157.36 15.98 Favored 'General case' 0 N--CA 1.451 -0.417 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 178.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . 0.415 HG13 HD12 ' F' ' 2' ' ' LEU . 0.3 OUTLIER -154.95 126.96 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.107 0.563 . . . . 0.0 110.474 169.38 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -151.49 175.48 12.26 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.421 1.088 . . . . 0.0 110.212 178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 87.4 mtm-85 -72.9 162.91 28.92 Favored 'General case' 0 N--CA 1.456 -0.164 0 O-C-N 121.882 -0.511 . . . . 0.0 110.218 169.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -63.84 -22.46 66.93 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 122.532 0.333 . . . . 0.0 111.526 176.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -69.24 -40.37 77.93 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 124.971 1.309 . . . . 0.0 111.417 175.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -85.05 -33.69 8.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.674 0.789 . . . . 0.0 110.218 -177.281 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.3 t80 -53.91 -38.17 64.56 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.057 0.943 . . . . 0.0 112.288 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.11 -21.87 64.12 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.043 0.937 . . . . 0.0 112.892 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -83.74 -46.07 12.67 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.847 -0.797 . . . . 0.0 108.847 175.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 mt -65.38 -22.97 32.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.828 0.851 . . . . 0.0 111.575 -177.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 85.9 mm-40 -85.4 -32.5 22.34 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 167.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -108.95 -25.4 10.75 Favored 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 116.066 1.876 . . . . 0.0 116.066 -167.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . 0.441 ' C ' HD22 ' E' ' 55' ' ' LEU . . . -144.02 -11.13 0.35 Allowed Glycine 0 CA--C 1.526 0.752 0 C-N-CA 124.729 1.157 . . . . 0.0 112.633 -171.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.441 HD22 ' C ' ' E' ' 54' ' ' GLY . 0.3 OUTLIER 61.39 -173.33 0.14 Allowed 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 128.492 2.717 . . . . 0.0 112.887 169.487 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -79.76 -13.57 59.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 N-CA-C 112.463 0.542 . . . . 0.0 112.463 -174.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.12 131.06 10.33 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.226 1.01 . . . . 0.0 109.938 169.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -63.88 177.78 1.71 Allowed 'Trans proline' 0 N--CA 1.453 -0.912 0 C-N-CA 123.32 2.68 . . . . 0.0 113.971 174.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.1 t0 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.012 0.925 . . . . 0.0 111.831 171.378 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 8.9 tpt . . . . . 0 N--CA 1.474 0.775 0 N-CA-C 111.06 0.022 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . 0.416 ' CD2' " H1'" ' G' ' 39' ' ' ' G' . 6.9 mt -98.15 148.23 23.78 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 111.547 175.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.57 138.46 53.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 123.593 0.757 . . . . 0.0 109.417 173.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -135.57 165.02 26.49 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 124.872 1.269 . . . . 0.0 110.296 -179.582 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.16 102.94 7.16 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 168.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.421 ' HA ' ' CZ ' ' F' ' 6' ' ' ARG . 0.3 OUTLIER -108.3 134.82 50.59 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 125.387 1.475 . . . . 0.0 110.943 -175.824 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -97.51 165.91 11.77 Favored 'General case' 0 C--N 1.338 0.103 0 CA-C-N 119.438 1.017 . . . . 0.0 113.571 172.217 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.1 m -57.36 136.27 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 114.987 -1.006 . . . . 0.0 112.508 -170.03 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.46 -3.15 78.82 Favored Glycine 0 CA--C 1.526 0.754 0 C-N-CA 124.247 0.927 . . . . 0.0 113.795 178.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -101.6 168.33 9.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.667 1.233 . . . . 0.0 111.621 -177.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 72.3 m -132.74 159.61 39.2 Favored 'General case' 0 C--N 1.338 0.098 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 -168.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 59.0 mt -138.56 159.06 31.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.194 0 C-N-CA 127.24 2.216 . . . . 0.0 107.752 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.9 m120 -135.14 152.11 51.32 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.266 -0.896 . . . . 0.0 112.66 -176.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.9 mt -137.12 143.51 34.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.694 1.198 . . . . 0.0 108.891 177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.96 -136.36 51.3 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.714 -0.554 . . . . 0.0 111.714 -177.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -125.63 10.04 7.77 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.283 1.033 . . . . 0.0 111.778 173.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -139.83 -9.69 1.19 Allowed 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -172.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.21 136.25 44.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 119.019 0.827 . . . . 0.0 110.561 -173.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.0 m -128.72 142.2 51.08 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.482 1.113 . . . . 0.0 110.229 175.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 30.7 mm -124.07 142.94 39.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.613 1.565 . . . . 0.0 108.285 177.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 28.9 m -139.1 131.44 28.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.014 0.526 . . . . 0.0 110.084 178.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -84.9 115.69 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 N-CA-C 108.035 -1.098 . . . . 0.0 108.035 169.26 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 mt -88.55 -28.0 21.03 Favored 'General case' 0 N--CA 1.454 -0.271 0 O-C-N 121.689 -0.632 . . . . 0.0 111.431 -171.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.78 -178.44 34.08 Favored Glycine 0 CA--C 1.524 0.656 0 C-N-CA 123.262 0.458 . . . . 0.0 113.251 173.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -125.9 157.34 35.79 Favored 'Isoleucine or valine' 0 C--O 1.23 0.046 0 CA-C-N 117.273 0.536 . . . . 0.0 112.136 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.3 t -150.04 100.75 2.96 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.565 1.146 . . . . 0.0 109.379 169.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.77 -108.01 2.36 Favored Glycine 0 CA--C 1.525 0.685 0 O-C-N 121.871 -0.518 . . . . 0.0 111.888 -178.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -101.24 -18.75 15.99 Favored 'General case' 0 N--CA 1.456 -0.137 0 CA-C-N 117.426 0.613 . . . . 0.0 111.84 169.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 49.4 mm-40 -72.16 144.12 48.68 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 121.561 0.696 . . . . 0.0 110.289 179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.4 t -133.85 116.75 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 N-CA-C 107.707 -1.22 . . . . 0.0 107.707 -176.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -86.95 129.67 34.78 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.622 0.769 . . . . 0.0 109.299 -179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.1 mt -135.61 146.82 29.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.576 1.15 . . . . 0.0 110.322 -167.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.91 140.91 15.53 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.467 1.032 . . . . 0.0 111.22 174.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 42.5 mt -132.17 133.06 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.303 1.041 . . . . 0.0 109.238 -178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 57.3 t-20 -134.98 105.79 6.53 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 123.307 0.643 . . . . 0.0 109.661 -177.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.39 158.49 75.08 Favored Pre-proline 0 N--CA 1.453 -0.291 0 C-N-CA 124.06 0.944 . . . . 0.0 111.448 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -64.99 162.37 32.82 Favored 'Trans proline' 0 N--CA 1.451 -0.991 0 C-N-CA 123.031 2.487 . . . . 0.0 112.459 174.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -71.05 -4.67 26.21 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.493 0.717 . . . . 0.0 112.61 172.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -69.55 -18.12 63.63 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.867 1.267 . . . . 0.0 112.514 172.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m -129.03 168.01 23.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.986 0.914 . . . . 0.0 111.275 -176.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.57 162.59 12.93 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.628 0.771 . . . . 0.0 111.885 174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.01 117.66 0.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.639 0.776 . . . . 0.0 110.561 176.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -154.46 173.58 16.07 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.91 0.884 . . . . 0.0 110.548 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -79.81 164.11 23.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.836 -0.54 . . . . 0.0 110.281 168.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.2 tm-20 -62.06 -25.69 67.83 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.05 0.54 . . . . 0.0 112.366 -172.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -59.24 -45.56 90.83 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.018 0.927 . . . . 0.0 111.44 174.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.0 mm -86.45 -28.72 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.616 0.766 . . . . 0.0 110.009 -173.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.52 -37.69 58.08 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 123.868 0.867 . . . . 0.0 112.326 177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 70.4 mt-30 -60.94 -25.26 66.67 Favored 'General case' 0 CA--C 1.529 0.154 0 C-N-CA 124.666 1.186 . . . . 0.0 113.079 -174.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -75.15 -22.43 58.14 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 127.122 2.169 . . . . 0.0 112.548 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 16.5 mt -94.12 -63.0 1.59 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.625 1.17 . . . . 0.0 113.418 -168.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' H ' ' F' ' 52' ' ' GLN . 0.0 OUTLIER -81.71 2.95 27.41 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.419 1.266 . . . . 0.0 114.419 -168.708 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.74 3.99 3.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 171.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.84 37.94 3.78 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 123.988 0.804 . . . . 0.0 111.791 -175.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 64.9 mt -131.04 -45.92 1.02 Allowed 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.555 0.742 . . . . 0.0 112.994 -166.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 2.9 m 45.08 55.3 6.34 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 126.027 1.731 . . . . 0.0 112.58 -170.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 53.55 88.02 0.13 Allowed Pre-proline 0 CA--C 1.53 0.182 0 C-N-CA 125.518 1.527 . . . . 0.0 112.376 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -60.66 170.76 4.11 Favored 'Trans proline' 0 N--CA 1.451 -0.983 0 C-N-CA 123.292 2.661 . . . . 0.0 114.158 -171.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.453 -0.32 0 C-N-CA 124.592 1.157 . . . . 0.0 112.796 178.665 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O4'-C1'-N19 112.07 3.87 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 111.614 3.414 . 0.329 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.708 4.508 . 0.487 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.805 3.605 . 0.213 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.426 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.442 0 C3'-C2'-C1' 104.695 3.55 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.426 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.131 2 C5'-C4'-C3' 107.964 -5.024 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 O4'-C1'-N19 112.327 4.127 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C5'-C4'-C3' 111.518 -2.655 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 O5'-C5'-C4' 113.588 2.42 . 0.017 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C3'-C2'-C1' 104.637 3.486 . 0.26 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.245 0 O4'-C1'-N19 111.344 3.144 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 C5'-C4'-C3' 112.075 -2.284 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 1 C5'-C4'-C3' 108.667 -4.555 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C4'-C3'-C2' 100.429 -2.271 . 0.472 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 111.591 3.391 . 0.861 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.588 3.388 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 C5'-C4'-C3' 109.552 -3.966 . 0.851 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C5'-C4'-C3' 111.091 -2.939 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 3 C5'-C4'-O4' 116.658 5.327 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 2 O4'-C1'-N19 113.66 5.46 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 1 O4'-C1'-N19 112.576 4.376 . 0.44 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 0 O4'-C1'-N19 110.97 2.77 . 0.118 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.006 1 O4'-C1'-N19 112.641 4.441 . 0.662 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.226 0 O4'-C1'-N19 112.147 3.947 . 0.518 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 N19-C1'-C2' 108.821 -2.862 . 0.814 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 0 O4'-C1'-N19 111.106 2.906 . 0.488 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.518 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C5'-C4'-C3' 112.142 -2.239 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.35 0 C5'-C4'-C3' 112.357 -2.095 . 0.036 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C5'-C4'-C3' 111.07 -2.953 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.85 3.65 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 C4'-C3'-C2' 100.296 -2.404 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 O4'-C1'-N19 111.405 3.205 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 112.261 4.061 . 0.872 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 99.296 -3.404 . 0.53 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 99.414 -3.286 . 0.408 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 111.433 3.233 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.348 3.148 . 0.262 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 O4'-C1'-N19 110.942 2.742 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . 0.416 " H1'" ' CD2' ' F' ' 2' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 104.145 2.939 . 0.129 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O4'-C1'-N19 112.697 4.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.462 1 C5'-C4'-C3' 108.784 -4.477 . 0.038 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 0 O4'-C1'-N19 111.589 3.389 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 0 O4'-C1'-N19 111.931 3.731 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 1 O4'-C1'-N19 113.122 4.922 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 2 O4'-C1'-N19 112.717 4.517 . 0.202 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 O4'-C1'-N19 111.22 3.02 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 1 O4'-C1'-N19 112.242 4.042 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 C3'-C2'-C1' 104.319 3.132 . 0.495 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C3'-C2'-C1' 104.091 2.879 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.256 -2.83 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.38 0 C5'-C4'-C3' 111.786 -2.476 . 0.449 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 1 O5'-C5'-C4' 117.74 5.386 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 110.254 2.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.223 4.023 . 0.747 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C4'-C3'-C2' 100.03 -2.67 . 0.465 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.465 3.265 . 0.621 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.348 0 O4'-C1'-N19 111.291 3.091 . 0.25 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 O4'-C1'-N19 111.619 3.419 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 112.044 3.844 . 0.117 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.517 3.317 . 0.347 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 1 O4'-C1'-N19 112.347 4.147 . 0.429 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 0 O4'-C1'-N19 111.534 3.334 . 0.724 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.471 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C5'-C4'-C3' 109.555 -3.963 . 0.639 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.471 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 99.382 -3.318 . 0.104 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C3'-C2'-C1' 104.183 2.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.41 -3.558 0 C5'-C4'-C3' 111.377 -2.749 . 0.153 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.504 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.245 1 C3'-C2'-C1' 97.119 -4.867 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 C5'-C4'-C3' 110.389 -3.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-O4' 112.846 2.604 . 0.922 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 O4'-C1'-N19 112.207 4.007 . 0.651 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 C4'-C3'-C2' 99.974 -2.726 . 0.309 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.067 2.867 . 0.616 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.8 ttp . . . . . 0 N--CA 1.474 0.731 0 CA-C-O 119.16 -0.448 . . . . 0.0 109.82 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.47 112.81 24.72 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.751 0.82 . . . . 0.0 109.781 -175.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.01 136.5 27.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.794 0.838 . . . . 0.0 109.484 -179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 79.5 mt -132.23 161.11 34.25 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.303 1.041 . . . . 0.0 110.101 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.0 m -124.64 100.93 6.87 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.131 0.972 . . . . 0.0 108.484 -178.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.6 tpm_? -113.39 135.14 54.19 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.592 0.757 . . . . 0.0 109.999 -169.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -98.43 159.08 15.18 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 118.298 0.499 . . . . 0.0 110.172 -176.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.44 HG13 ' HA2' ' A' ' 24' ' ' GLY . 68.5 t -46.98 129.83 3.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 C-N-CA 123.58 0.752 . . . . 0.0 111.044 -179.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.13 3.94 67.19 Favored Glycine 0 CA--C 1.527 0.808 0 C-N-CA 124.034 0.826 . . . . 0.0 114.185 175.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -111.74 169.38 8.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.346 1.073 . . . . 0.0 111.097 -178.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.5 m -134.6 152.97 52.15 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 114.533 1.308 . . . . 0.0 114.533 -167.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.484 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 8.0 mm -113.36 155.61 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 125.955 1.702 . . . . 0.0 110.058 169.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -129.25 138.56 51.73 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.258 1.023 . . . . 0.0 110.706 178.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -133.01 130.36 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.089 0.956 . . . . 0.0 109.675 -176.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.59 -130.02 28.28 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 -125.07 -2.61 7.66 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.926 0.89 . . . . 0.0 112.46 177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -132.34 -21.47 2.3 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 113.623 0.972 . . . . 0.0 113.623 -169.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -102.18 137.48 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 CA-C-N 118.817 0.735 . . . . 0.0 110.342 -172.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -136.64 144.73 44.19 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.692 0.797 . . . . 0.0 109.396 175.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.1 mm -127.63 140.12 50.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.419 1.087 . . . . 0.0 108.307 -176.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.3 m -135.6 134.12 38.98 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.543 0.61 . . . . 0.0 110.402 178.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -84.78 97.42 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 170.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.85 -23.91 61.6 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.94 -0.475 . . . . 0.0 110.351 -176.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.44 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 167.77 -173.33 42.74 Favored Glycine 0 C--N 1.339 0.699 0 CA-C-N 118.336 0.516 . . . . 0.0 113.785 168.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 28.4 m -131.67 157.99 43.24 Favored 'Isoleucine or valine' 0 C--O 1.231 0.099 0 C-N-CA 123.866 0.866 . . . . 0.0 112.067 -178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -145.3 62.14 1.29 Allowed 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 125.566 1.546 . . . . 0.0 110.033 -173.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.88 -117.69 5.78 Favored Glycine 0 CA--C 1.526 0.778 0 N-CA-C 111.753 -0.539 . . . . 0.0 111.753 -178.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -70.85 -15.0 62.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.271 0.628 . . . . 0.0 111.104 173.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 44.7 mt-30 -98.92 153.76 18.57 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-O 121.346 0.593 . . . . 0.0 111.957 -176.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 48.7 t -139.49 117.33 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 125.467 1.507 . . . . 0.0 109.053 -168.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttt180 -94.16 101.9 13.92 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 121.947 -0.471 . . . . 0.0 110.54 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 35.9 mt -109.41 132.11 58.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.721 1.208 . . . . 0.0 109.694 -176.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 137.03 13.51 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.931 0.776 . . . . 0.0 111.327 169.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 65.0 mt -109.93 131.0 62.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.164 1.385 . . . . 0.0 108.47 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -118.8 74.92 0.99 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.644 1.177 . . . . 0.0 109.506 177.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.41 152.83 44.18 Favored Pre-proline 0 N--CA 1.452 -0.329 0 CA-C-N 114.235 -1.348 . . . . 0.0 110.74 171.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -73.6 155.79 49.69 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.569 2.179 . . . . 0.0 110.555 176.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -69.58 -3.9 16.88 Favored 'General case' 0 N--CA 1.457 -0.089 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -69.04 -23.82 64.11 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 123.773 0.829 . . . . 0.0 111.768 169.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.2 m -116.1 144.02 24.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 122.074 0.94 . . . . 0.0 111.688 173.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.11 142.63 32.1 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.0 0.92 . . . . 0.0 110.591 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 13.6 m -134.2 130.8 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 122.734 0.414 . . . . 0.0 110.295 170.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.4 m-70 -151.95 160.63 43.44 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.585 0.754 . . . . 0.0 110.885 -172.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.44 164.73 15.34 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-O 120.764 0.316 . . . . 0.0 111.231 168.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -67.95 -26.87 66.17 Favored 'General case' 0 C--N 1.333 -0.142 0 N-CA-C 113.888 1.07 . . . . 0.0 113.888 -167.254 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -75.75 -1.74 26.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 121.712 -0.617 . . . . 0.0 111.747 178.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mt -127.92 -33.2 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.121 0.968 . . . . 0.0 111.596 -177.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 83.6 t80 -59.46 -33.35 71.18 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-N 119.37 0.986 . . . . 0.0 110.664 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 -77.64 -13.5 59.89 Favored 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 123.516 0.726 . . . . 0.0 112.156 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.9 ptm180 -79.63 -34.04 40.87 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.77 0.828 . . . . 0.0 111.098 169.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.591 HG22 HE21 ' A' ' 52' ' ' GLN . 50.6 mt -65.48 -50.76 70.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.61 0.764 . . . . 0.0 109.05 172.463 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.591 HE21 HG22 ' A' ' 51' ' ' ILE . 78.2 mm-40 -84.05 5.12 27.07 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.405 0.682 . . . . 0.0 112.108 -174.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.94 -29.22 68.24 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.492 0.317 . . . . 0.0 111.046 168.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.51 11.6 0.04 OUTLIER Glycine 0 CA--C 1.524 0.617 0 CA-C-O 119.264 -0.742 . . . . 0.0 113.707 170.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.527 ' O ' HG23 ' A' ' 56' ' ' THR . 22.5 mt -88.28 90.68 8.49 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-N 118.803 1.302 . . . . 0.0 108.744 -171.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.527 HG23 ' O ' ' A' ' 55' ' ' LEU . 3.1 p 179.91 -46.38 0.01 OUTLIER 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 126.421 1.888 . . . . 0.0 108.132 -169.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.8 158.88 44.32 Favored Pre-proline 0 N--CA 1.453 -0.3 0 C-N-CA 125.403 1.481 . . . . 0.0 111.594 179.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -71.57 155.46 59.23 Favored 'Trans proline' 0 N--CA 1.452 -0.925 0 C-N-CA 123.344 2.696 . . . . 0.0 111.694 174.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.8 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 124.42 1.088 . . . . 0.0 111.868 170.167 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.0 tpp . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 119.475 -0.298 . . . . 0.0 110.782 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -107.92 116.56 32.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 107.722 -1.214 . . . . 0.0 107.722 169.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 45.8 mt -116.62 140.29 39.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.002 0.521 . . . . 0.0 110.989 -167.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 68.0 mt -135.61 136.11 40.76 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.383 1.073 . . . . 0.0 109.058 -179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.3 m -98.04 100.71 12.05 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 106.105 -1.813 . . . . 0.0 106.105 169.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.415 ' HE ' ' CD ' ' B' ' 10' ' ' GLU . 3.2 tpm_? -95.95 172.99 7.66 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 125.604 1.561 . . . . 0.0 108.734 -168.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 ptpt -127.27 160.69 30.54 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 119.425 1.011 . . . . 0.0 111.405 167.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -58.61 129.47 20.72 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-O 121.59 0.709 . . . . 0.0 111.307 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.28 -7.28 66.46 Favored Glycine 0 CA--C 1.526 0.752 0 CA-C-N 115.054 -0.976 . . . . 0.0 114.508 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . 0.415 ' CD ' ' HE ' ' B' ' 6' ' ' ARG . 29.9 mt-10 -79.86 166.08 22.05 Favored 'General case' 0 N--CA 1.456 -0.17 0 CA-C-N 118.81 1.305 . . . . 0.0 111.26 169.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 16.8 m -131.7 157.71 43.04 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.799 0.839 . . . . 0.0 112.114 -179.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 21.0 mt -134.04 155.57 39.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 126.168 1.787 . . . . 0.0 108.712 -178.67 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -138.31 140.25 39.47 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.689 0.795 . . . . 0.0 110.403 -171.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.5 mt -134.16 127.99 51.93 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.162 0.985 . . . . 0.0 109.605 -175.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.01 -132.37 52.49 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 111.283 -0.727 . . . . 0.0 111.283 -176.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.19 5.06 5.27 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.7 0.8 . . . . 0.0 112.917 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 42.9 m-20 -116.98 -19.32 9.84 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 179.358 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -115.86 137.41 49.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 119.135 0.879 . . . . 0.0 111.345 -169.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -133.17 150.9 51.98 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.834 1.254 . . . . 0.0 109.763 169.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.9 mm -130.59 144.83 36.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 126.177 1.791 . . . . 0.0 107.923 -177.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -135.58 130.38 34.38 Favored 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 122.73 0.412 . . . . 0.0 110.009 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -84.29 92.21 3.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.518 -0.919 . . . . 0.0 108.518 173.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -65.11 -33.66 76.55 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 122.019 -0.425 . . . . 0.0 111.085 -173.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.76 -178.42 39.24 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 112.338 -0.305 . . . . 0.0 112.338 171.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -110.22 146.96 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 CA-C-O 121.114 0.483 . . . . 0.0 109.796 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -122.75 77.68 1.46 Allowed 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 170.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -119.69 4.98 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -175.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.67 10.01 41.07 Favored 'General case' 0 N--CA 1.455 -0.205 0 O-C-N 122.228 -0.572 . . . . 0.0 111.057 172.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.0 mt-30 -98.97 154.1 18.33 Favored 'General case' 0 N--CA 1.449 -0.48 0 C-N-CA 123.954 0.902 . . . . 0.0 109.966 170.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.3 t -136.12 113.65 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -170.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -86.03 118.34 25.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.861 1.264 . . . . 0.0 109.492 -179.329 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -128.63 129.37 68.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.245 1.018 . . . . 0.0 109.533 -170.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.09 137.92 13.78 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 170.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -120.93 129.97 75.14 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 CA-C-O 121.909 0.861 . . . . 0.0 109.242 176.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.7 t-20 -130.29 75.0 1.63 Allowed 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 114.461 -1.245 . . . . 0.0 109.393 -168.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.22 157.99 54.24 Favored Pre-proline 0 N--CA 1.451 -0.416 0 CA-C-N 113.997 -1.456 . . . . 0.0 109.679 174.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.1 157.29 40.09 Favored 'Trans proline' 0 N--CA 1.448 -1.159 0 C-N-CA 122.06 1.84 . . . . 0.0 111.373 169.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -68.68 -0.83 5.73 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.19 0.996 . . . . 0.0 112.178 169.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -65.89 -28.49 68.98 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 125.512 1.525 . . . . 0.0 111.32 171.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -110.3 144.19 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.527 1.131 . . . . 0.0 109.997 178.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.7 142.17 29.21 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-O 121.769 0.795 . . . . 0.0 111.258 169.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.52 98.85 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 114.405 -1.271 . . . . 0.0 108.639 -166.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -145.64 158.2 43.88 Favored 'General case' 0 CA--C 1.522 -0.115 0 CA-C-O 121.267 0.556 . . . . 0.0 111.845 176.553 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.484 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 4.9 ptt85 -64.66 154.52 36.28 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.339 0.656 . . . . 0.0 111.617 169.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -55.42 -41.77 73.24 Favored 'General case' 0 N--CA 1.457 -0.077 0 C-N-CA 123.25 0.62 . . . . 0.0 112.232 -171.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -59.86 -23.58 63.53 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 113.017 0.747 . . . . 0.0 113.017 177.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 17.7 mm -89.32 -50.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.175 0.99 . . . . 0.0 110.501 174.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -51.21 -35.98 39.28 Favored 'General case' 0 N--CA 1.449 -0.489 0 C-N-CA 124.857 1.263 . . . . 0.0 112.175 -177.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -70.33 -22.61 62.79 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 112.97 0.73 . . . . 0.0 112.97 -175.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.45 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.4 mpt_? -77.76 -41.37 37.77 Favored 'General case' 0 CA--C 1.521 -0.16 0 CA-C-N 119.175 0.898 . . . . 0.0 109.957 169.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.515 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.4 mt -64.41 -39.85 87.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 123.348 0.659 . . . . 0.0 109.314 -173.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.515 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.4 mm-40 -80.59 4.74 17.54 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 113.191 0.811 . . . . 0.0 113.191 174.129 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.07 -19.3 47.82 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.118 0.567 . . . . 0.0 111.539 168.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.33 48.55 0.09 OUTLIER Glycine 0 CA--C 1.526 0.724 0 C-N-CA 123.469 0.557 . . . . 0.0 113.851 169.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.8 -176.42 2.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 117.674 0.737 . . . . 0.0 112.518 -168.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.5 p -128.46 -178.23 4.49 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.157 1.383 . . . . 0.0 109.829 168.307 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.92 120.99 2.33 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 124.015 0.926 . . . . 0.0 111.136 178.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_exo -52.25 -46.54 32.1 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.757 2.971 . . . . 0.0 113.341 -169.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t0 . . . . . 0 N--CA 1.451 -0.421 0 C-N-CA 123.903 0.881 . . . . 0.0 110.408 -173.12 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.474 0.755 0 N-CA-C 104.779 -2.304 . . . . 0.0 104.779 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.42 109.42 21.57 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 -175.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -85.3 129.01 38.56 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.428 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 176.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 90.0 mt -121.27 134.95 55.18 Favored 'General case' 0 N--CA 1.45 -0.44 0 C-N-CA 123.423 0.689 . . . . 0.0 109.257 168.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 74.4 p -87.0 143.64 27.25 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 168.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -146.11 133.02 20.14 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.426 0.528 . . . . 0.0 112.426 177.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -77.45 150.14 35.0 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.619 1.168 . . . . 0.0 109.734 172.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.8 m -58.87 137.69 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 O-C-N 121.922 -0.486 . . . . 0.0 111.913 -177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.27 -4.03 76.8 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 124.539 1.066 . . . . 0.0 114.039 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 68.8 mt-10 -99.48 170.18 8.8 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 119.118 1.459 . . . . 0.0 112.35 -179.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -124.2 159.29 30.45 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 -167.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -140.44 154.74 22.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 127.592 2.357 . . . . 0.0 108.157 -179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-80 -128.02 149.12 50.51 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.159 -0.963 . . . . 0.0 111.612 -177.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 60.4 mt -134.21 131.33 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 124.627 1.171 . . . . 0.0 109.295 173.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -137.62 49.18 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 111.425 -0.67 . . . . 0.0 111.425 -174.381 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.46 9.97 7.25 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.392 170.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 30.4 m-20 -121.29 -13.42 8.48 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.046 0.938 . . . . 0.0 113.301 -179.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -120.27 133.21 67.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 118.824 0.738 . . . . 0.0 110.88 -171.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 11.9 m -120.16 142.89 48.55 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.916 0.886 . . . . 0.0 109.758 172.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 39.0 mm -120.31 140.96 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.034 1.334 . . . . 0.0 108.38 176.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.98 129.27 25.53 Favored 'General case' 0 N--CA 1.456 -0.147 0 O-C-N 121.723 -0.611 . . . . 0.0 110.74 -179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -83.23 104.77 12.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 108.351 -0.981 . . . . 0.0 108.351 169.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.5 mt -83.89 -33.42 24.77 Favored 'General case' 0 N--CA 1.454 -0.268 0 O-C-N 121.878 -0.513 . . . . 0.0 109.898 -173.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.97 -170.86 42.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 113.758 0.263 . . . . 0.0 113.758 169.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -125.58 153.57 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.643 0.777 . . . . 0.0 110.807 173.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 49.4 m -140.79 97.45 3.2 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.562 1.145 . . . . 0.0 108.294 173.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.94 -119.14 12.63 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.387 -1.085 . . . . 0.0 110.387 -169.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -97.4 -4.15 38.88 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.13 0.972 . . . . 0.0 112.327 176.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -81.66 152.89 26.9 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.158 0.504 . . . . 0.0 110.063 173.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 24.9 t -130.24 120.63 49.51 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.483 0 N-CA-C 107.496 -1.298 . . . . 0.0 107.496 178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.4 ttm180 -78.21 110.61 13.37 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 108.566 -0.901 . . . . 0.0 108.566 169.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 30.5 mt -114.53 131.83 65.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.848 1.259 . . . . 0.0 109.386 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.88 141.48 15.23 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 124.645 1.116 . . . . 0.0 112.092 174.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.5 mt -133.65 119.89 35.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 C-N-CA 124.964 1.306 . . . . 0.0 107.836 179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 31.6 t30 -125.96 99.05 5.76 Favored 'General case' 0 N--CA 1.451 -0.404 0 O-C-N 122.156 -0.34 . . . . 0.0 110.335 -168.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -144.54 158.43 53.91 Favored Pre-proline 0 N--CA 1.454 -0.272 0 C-N-CA 124.231 1.012 . . . . 0.0 110.638 -171.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -62.65 152.38 78.3 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.007 2.471 . . . . 0.0 111.529 172.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -65.63 -0.88 2.28 Favored 'General case' 0 C--N 1.338 0.073 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 172.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -66.07 -22.91 66.44 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.255 1.022 . . . . 0.0 111.342 169.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.47 144.21 31.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 124.21 1.004 . . . . 0.0 110.172 174.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 154.85 21.13 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 122.612 0.365 . . . . 0.0 110.989 174.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.5 m -136.72 133.67 48.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 122.823 0.449 . . . . 0.0 110.012 170.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -156.26 163.4 39.6 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.437 0.695 . . . . 0.0 111.497 -174.246 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -80.01 162.67 24.75 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 165.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.58 -32.28 72.37 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.417 0.525 . . . . 0.0 112.417 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -58.31 -46.53 85.97 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.704 0.802 . . . . 0.0 111.551 175.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -84.84 -31.78 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.061 0.544 . . . . 0.0 110.478 -173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.57 -39.74 61.84 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.719 0.808 . . . . 0.0 112.281 179.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.9 mt-30 -58.52 -31.89 68.34 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.829 0.852 . . . . 0.0 112.284 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 61.6 ttt-85 -70.23 -38.32 75.2 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.937 0.495 . . . . 0.0 111.486 175.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.612 ' HA ' HD11 ' C' ' 55' ' ' LEU . 3.3 mp -68.13 -18.94 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 CA-C-N 118.583 0.629 . . . . 0.0 110.699 177.483 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -92.16 2.03 56.85 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.189 0.596 . . . . 0.0 112.522 174.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.44 4.06 33.32 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.897 0.879 . . . . 0.0 112.945 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 108.97 55.36 0.57 Allowed Glycine 0 C--N 1.337 0.601 0 C-N-CA 124.092 0.853 . . . . 0.0 113.249 169.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.612 HD11 ' HA ' ' C' ' 51' ' ' ILE . 4.3 pp -165.66 174.61 9.61 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.102 0.961 . . . . 0.0 111.515 -169.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 41.7 p -133.44 2.18 3.5 Favored 'General case' 0 CA--C 1.527 0.09 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 -179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -118.65 134.08 23.54 Favored Pre-proline 0 N--CA 1.454 -0.237 0 C-N-CA 123.765 0.826 . . . . 0.0 111.18 -176.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -61.5 170.04 5.97 Favored 'Trans proline' 0 N--CA 1.454 -0.842 0 C-N-CA 123.155 2.57 . . . . 0.0 114.07 175.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 22.5 t70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 123.913 0.885 . . . . 0.0 112.609 -176.518 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 3.0 ttp . . . . . 0 N--CA 1.475 0.824 0 CA-C-O 119.781 -0.152 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -117.95 120.56 38.23 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 126.19 1.796 . . . . 0.0 108.216 177.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.14 134.09 61.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 C-N-CA 123.85 0.86 . . . . 0.0 109.467 -169.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 75.9 mt -132.34 163.04 29.57 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.009 1.324 . . . . 0.0 111.243 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -108.09 113.87 27.34 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 108.004 -1.11 . . . . 0.0 108.004 164.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -111.77 128.94 56.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.718 0.807 . . . . 0.0 109.723 175.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 18.1 mmtp -76.28 156.69 33.24 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.723 0.692 . . . . 0.0 110.625 171.274 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.822 HG11 HG12 ' D' ' 25' ' ' VAL . 15.7 m -54.0 135.09 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-N 115.558 -0.747 . . . . 0.0 112.026 169.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 -3.23 76.17 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.398 0.999 . . . . 0.0 114.083 178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -98.22 179.78 4.63 Favored 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 118.875 1.338 . . . . 0.0 111.928 177.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 60.6 m -136.19 155.52 50.02 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.553 0.741 . . . . 0.0 112.898 -169.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 44.2 mt -136.96 160.23 36.65 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 126.903 2.081 . . . . 0.0 108.7 -177.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -136.98 149.74 47.71 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.853 0.861 . . . . 0.0 111.992 -178.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.0 mt -135.51 135.53 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.929 1.292 . . . . 0.0 109.042 179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.31 -138.35 49.04 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.408 -0.677 . . . . 0.0 111.408 -174.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -122.59 8.66 9.53 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 123.731 0.812 . . . . 0.0 111.794 172.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -129.86 -11.98 4.27 Favored 'General case' 0 N--CA 1.456 -0.15 0 N-CA-C 113.545 0.943 . . . . 0.0 113.545 -173.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.22 136.47 53.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 118.931 0.787 . . . . 0.0 110.747 -172.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.5 m -121.07 148.11 44.61 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.386 1.074 . . . . 0.0 109.987 172.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 28.7 mm -128.31 143.3 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.913 1.685 . . . . 0.0 107.717 179.339 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.4 m -139.19 127.14 22.25 Favored 'General case' 0 N--CA 1.456 -0.136 0 O-C-N 121.778 -0.576 . . . . 0.0 109.898 -179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -88.52 86.57 2.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 15.8 mt -62.99 -34.68 78.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 O-C-N 121.899 -0.5 . . . . 0.0 111.73 -169.024 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.32 -170.37 42.92 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.655 -0.783 . . . . 0.0 113.941 174.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.822 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -140.54 131.4 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.515 1.126 . . . . 0.0 110.413 -169.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.2 m -136.94 87.7 2.3 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.352 1.461 . . . . 0.0 108.959 -172.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.79 -122.64 14.08 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 -172.057 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -88.93 -15.94 33.07 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.849 0.86 . . . . 0.0 111.108 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -85.72 151.08 24.13 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.6 0.714 . . . . 0.0 112.013 176.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 28.1 t -136.87 126.52 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 -169.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 26.1 mtm180 -84.27 116.9 23.22 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.867 0.467 . . . . 0.0 110.024 174.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -122.57 115.25 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.003 0.921 . . . . 0.0 109.333 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.69 143.44 22.45 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.941 1.258 . . . . 0.0 110.96 171.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -131.29 138.99 51.97 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -136.42 89.94 2.51 Favored 'General case' 0 N--CA 1.449 -0.495 0 N-CA-C 108.632 -0.877 . . . . 0.0 108.632 -173.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -126.14 154.77 74.27 Favored Pre-proline 0 N--CA 1.45 -0.444 0 C-N-CA 124.973 1.309 . . . . 0.0 109.367 -176.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -61.49 150.19 86.33 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 121.979 1.786 . . . . 0.0 110.559 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -68.88 -1.04 6.31 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 174.459 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -66.92 -22.93 65.93 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.824 1.25 . . . . 0.0 111.389 168.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.1 m -123.67 159.99 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.138 0.975 . . . . 0.0 110.708 175.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.09 157.04 16.62 Favored 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 123.331 0.652 . . . . 0.0 112.175 -177.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -148.29 125.87 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 122.813 0.445 . . . . 0.0 110.056 168.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -152.78 167.07 30.23 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 123.615 0.766 . . . . 0.0 111.666 178.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 5.5 mpp_? -63.21 159.96 16.62 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 167.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 tm-20 -62.6 -33.27 74.66 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.569 -0.707 . . . . 0.0 111.499 174.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -52.08 -43.1 63.71 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.564 1.146 . . . . 0.0 111.871 169.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 8.8 mm -89.86 -38.73 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 C-N-CA 124.116 0.966 . . . . 0.0 111.029 -169.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -45.52 -39.76 7.78 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.805 1.242 . . . . 0.0 112.106 175.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -60.75 -27.89 68.3 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.791 1.236 . . . . 0.0 113.322 -179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 3.1 mpt_? -74.01 -47.39 37.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 CA-C-N 118.83 0.741 . . . . 0.0 109.76 175.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.532 ' H ' HD12 ' D' ' 51' ' ' ILE . 5.0 mp -62.41 -33.91 61.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 122.793 0.437 . . . . 0.0 110.317 179.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . 0.436 HE22 HG22 ' D' ' 51' ' ' ILE . 0.4 OUTLIER -82.53 -0.2 45.54 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.028 0.531 . . . . 0.0 111.65 179.142 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.16 -6.25 59.3 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.367 1.067 . . . . 0.0 112.418 169.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 116.24 47.89 0.49 Allowed Glycine 0 CA--C 1.526 0.72 0 CA-C-O 119.512 -0.604 . . . . 0.0 114.19 169.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 4.2 pp -163.62 -179.13 6.22 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.015 0.908 . . . . 0.0 112.064 -169.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 85.4 m -152.85 100.86 2.55 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 124.595 1.158 . . . . 0.0 108.576 166.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.455 ' HB2' " H2'" ' G' ' 7' ' ' ' C' . . . 41.29 84.35 0.19 Allowed Pre-proline 0 CA--C 1.531 0.238 0 C-N-CA 126.583 1.953 . . . . 0.0 114.31 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_exo -62.46 169.81 7.68 Favored 'Trans proline' 0 N--CA 1.453 -0.89 0 C-N-CA 123.618 2.879 . . . . 0.0 113.669 -176.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 124.104 0.962 . . . . 0.0 112.259 176.719 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 9.4 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 tt -80.9 111.0 16.97 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 -172.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 52.4 mt -115.01 126.27 72.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.977 0.911 . . . . 0.0 108.99 -179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -146.55 165.11 30.45 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 124.284 1.033 . . . . 0.0 111.038 -173.521 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.419 HG22 ' HG2' ' F' ' 29' ' ' GLN . 0.9 OUTLIER -121.58 129.06 52.61 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 122.824 0.45 . . . . 0.0 110.362 -179.127 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.2 tpm_? -128.96 130.52 46.82 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 125.229 1.412 . . . . 0.0 110.82 -169.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mtmt -83.48 158.93 21.85 Favored 'General case' 0 N--CA 1.451 -0.416 0 CA-C-O 120.733 0.301 . . . . 0.0 111.496 176.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.2 m -60.71 136.3 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 120.963 0.411 . . . . 0.0 111.616 -179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.24 -2.54 83.57 Favored Glycine 0 CA--C 1.526 0.74 0 C-N-CA 124.002 0.81 . . . . 0.0 114.308 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.3 mt-10 -94.83 174.88 6.88 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 118.846 1.323 . . . . 0.0 111.525 175.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.1 m -137.82 158.77 43.66 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -139.04 156.07 27.46 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.203 0 C-N-CA 126.911 2.084 . . . . 0.0 108.362 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -132.48 150.45 52.15 Favored 'General case' 0 N--CA 1.457 -0.114 0 O-C-N 121.44 -0.787 . . . . 0.0 113.076 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -135.01 140.73 44.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 124.788 1.235 . . . . 0.0 108.9 179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.91 -136.73 51.0 Favored Glycine 0 CA--C 1.523 0.577 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -174.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -124.53 8.58 8.34 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.903 0.881 . . . . 0.0 111.514 172.737 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -135.76 -7.74 2.15 Favored 'General case' 0 N--CA 1.455 -0.193 0 N-CA-C 113.453 0.909 . . . . 0.0 113.453 -169.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.82 136.95 52.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 118.928 0.786 . . . . 0.0 110.81 -173.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.39 142.62 51.4 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.564 1.146 . . . . 0.0 110.015 175.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -122.4 136.83 57.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.394 1.477 . . . . 0.0 108.175 176.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.7 m -134.25 126.3 29.54 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.124 0.569 . . . . 0.0 109.686 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -84.07 101.19 8.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 N-CA-C 108.793 -0.817 . . . . 0.0 108.793 174.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 14.4 mt -70.96 -30.02 66.18 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 122.085 -0.384 . . . . 0.0 110.869 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.02 -171.38 34.44 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 123.338 0.494 . . . . 0.0 113.32 169.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.8 m -118.86 153.62 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.091 0 C-N-CA 123.461 0.704 . . . . 0.0 112.041 -178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -142.24 89.87 2.2 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.956 1.302 . . . . 0.0 109.017 169.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.74 -126.43 37.15 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.462 -0.655 . . . . 0.0 111.462 -171.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -76.2 -24.99 54.72 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 117.569 0.685 . . . . 0.0 112.353 173.682 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -69.65 144.76 52.82 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-O 121.359 0.599 . . . . 0.0 109.837 176.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.2 t -135.1 118.51 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.139 -1.43 . . . . 0.0 107.139 -175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 30.5 ttm180 -88.85 118.61 28.67 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -176.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.12 129.29 71.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.661 0.784 . . . . 0.0 110.16 -169.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.85 141.68 15.65 Favored Glycine 0 CA--C 1.525 0.695 0 C-N-CA 124.352 0.977 . . . . 0.0 111.341 170.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.37 126.31 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.823 1.249 . . . . 0.0 108.651 -179.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.9 t-20 -127.97 99.25 5.43 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 -172.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 154.85 81.14 Favored Pre-proline 0 N--CA 1.453 -0.289 0 C-N-CA 124.557 1.143 . . . . 0.0 110.394 177.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.8 Cg_endo -61.72 157.45 42.48 Favored 'Trans proline' 0 N--CA 1.451 -1.0 0 C-N-CA 122.736 2.291 . . . . 0.0 112.049 172.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -71.62 -0.98 12.06 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.462 0.705 . . . . 0.0 112.589 172.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -66.72 -23.33 66.09 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.704 1.202 . . . . 0.0 111.833 169.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -121.86 158.62 25.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.001 0.92 . . . . 0.0 110.69 -179.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.05 157.75 16.14 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.898 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.03 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.066 0.546 . . . . 0.0 110.251 169.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -151.48 170.15 20.32 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.086 0.954 . . . . 0.0 110.626 177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -68.77 159.26 32.68 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 168.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -62.78 -23.71 67.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-O 120.765 0.317 . . . . 0.0 111.356 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 47.2 tt0 -67.25 -40.16 86.24 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 124.97 1.308 . . . . 0.0 111.592 174.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -83.49 -33.47 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.484 0.714 . . . . 0.0 109.573 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . 0.537 ' HA ' HG12 ' E' ' 51' ' ' ILE . 62.3 t80 -52.44 -35.09 51.48 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.421 1.088 . . . . 0.0 112.515 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 61.5 mt-30 -63.35 -23.57 67.47 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.116 0.567 . . . . 0.0 112.32 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.84 -39.8 25.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.151 0.581 . . . . 0.0 110.407 172.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.537 HG12 ' HA ' ' E' ' 48' ' ' TYR . 8.4 mm -52.68 -37.68 25.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.885 0.874 . . . . 0.0 111.193 174.43 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -85.24 -47.29 10.23 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 114.524 1.305 . . . . 0.0 114.524 178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.05 -10.75 15.01 Favored 'General case' 0 CA--C 1.529 0.172 0 N-CA-C 116.302 1.964 . . . . 0.0 116.302 -167.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -163.52 72.03 0.19 Allowed Glycine 0 CA--C 1.523 0.562 0 N-CA-C 108.877 -1.689 . . . . 0.0 108.877 -172.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.608 ' H ' HD22 ' E' ' 55' ' ' LEU . 0.1 OUTLIER -60.86 161.86 7.59 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 125.852 1.661 . . . . 0.0 114.207 -164.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 35.4 p -75.91 -20.27 58.15 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 114.96 -1.018 . . . . 0.0 112.554 174.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -132.03 90.18 36.04 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.335 1.054 . . . . 0.0 109.907 170.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -62.16 146.76 95.93 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.29 2.66 . . . . 0.0 113.295 -179.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 126.064 1.746 . . . . 0.0 114.224 169.519 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.475 0.785 0 N-CA-C 110.777 -0.083 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.87 148.35 22.22 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 122.823 0.449 . . . . 0.0 111.372 174.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -129.13 133.57 65.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 N-CA-C 108.536 -0.912 . . . . 0.0 108.536 169.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -130.77 163.82 26.49 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.494 1.117 . . . . 0.0 109.862 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.54 98.51 5.25 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 169.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -104.98 132.95 50.57 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 125.368 1.467 . . . . 0.0 110.528 -173.339 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -96.18 165.69 12.1 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 119.946 1.248 . . . . 0.0 113.444 175.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.84 135.0 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-N 114.996 -1.002 . . . . 0.0 112.439 -168.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.3 -2.94 75.4 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.399 1.0 . . . . 0.0 113.896 178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.7 mt-10 -99.2 166.5 11.2 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 118.539 1.169 . . . . 0.0 111.407 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 70.6 m -129.32 158.44 39.09 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 -168.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -137.3 156.53 33.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 126.922 2.089 . . . . 0.0 107.937 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -133.85 149.65 51.37 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.849 0.859 . . . . 0.0 112.08 -175.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.8 mt -135.08 138.64 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.553 1.141 . . . . 0.0 108.908 178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.1 -134.91 52.24 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 -172.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -127.02 10.05 6.9 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.313 1.045 . . . . 0.0 112.358 172.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -128.74 -18.41 3.87 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 113.669 0.988 . . . . 0.0 113.669 -177.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.1 136.89 36.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-N 119.162 0.892 . . . . 0.0 110.597 -171.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 23.4 m -128.21 142.76 51.07 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.303 1.041 . . . . 0.0 110.374 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -123.07 142.34 40.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 125.842 1.657 . . . . 0.0 108.157 175.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 38.9 m -136.45 129.35 30.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.823 0.449 . . . . 0.0 110.001 174.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -80.62 106.06 11.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 169.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 10.6 mt -76.85 -31.07 56.59 Favored 'General case' 0 N--CA 1.453 -0.295 0 O-C-N 121.736 -0.603 . . . . 0.0 111.005 -174.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.31 -174.47 37.05 Favored Glycine 0 C--N 1.337 0.614 0 N-CA-C 113.702 0.241 . . . . 0.0 113.702 175.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.8 m -123.97 155.82 31.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.62 0.768 . . . . 0.0 111.495 -179.11 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.6 t -145.54 89.93 1.96 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 124.517 1.127 . . . . 0.0 108.808 169.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.03 -121.7 25.45 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -170.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -80.24 -20.41 44.64 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 112.616 0.599 . . . . 0.0 112.616 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . 0.419 ' HG2' HG22 ' E' ' 5' ' ' THR . 0.6 OUTLIER -77.48 145.11 37.25 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.652 0.781 . . . . 0.0 110.937 177.137 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -137.18 116.05 14.88 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 -173.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -90.96 125.81 35.89 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 122.856 0.462 . . . . 0.0 110.123 -175.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -131.61 143.51 40.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.367 1.067 . . . . 0.0 109.258 -169.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.41 141.32 16.05 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 124.148 0.88 . . . . 0.0 111.472 175.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 30.9 mt -130.12 127.1 62.87 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 124.091 0.956 . . . . 0.0 110.056 -175.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 62.2 t-20 -122.05 108.02 12.88 Favored 'General case' 0 N--CA 1.45 -0.445 0 C-N-CA 124.497 1.119 . . . . 0.0 109.162 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.16 157.64 74.03 Favored Pre-proline 0 N--CA 1.453 -0.28 0 C-N-CA 123.588 0.755 . . . . 0.0 111.476 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_endo -64.78 162.49 31.59 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 123.091 2.527 . . . . 0.0 112.315 173.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -69.55 -2.36 11.2 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.419 0.688 . . . . 0.0 112.335 169.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.4 t70 -66.41 -24.73 66.52 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.24 1.416 . . . . 0.0 112.307 172.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.6 m -125.72 163.22 27.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.971 0.908 . . . . 0.0 111.257 -173.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.28 161.52 14.22 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.458 0.703 . . . . 0.0 111.311 169.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.06 126.66 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.15 0.58 . . . . 0.0 110.404 170.068 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 2.5 m-70 -154.32 174.52 14.72 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 110.551 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 16.5 ptt180 -80.4 163.84 23.54 Favored 'General case' 0 N--CA 1.456 -0.153 0 O-C-N 121.797 -0.564 . . . . 0.0 110.167 168.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 tm-20 -64.13 -24.39 67.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -170.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 22.4 tp10 -58.18 -53.29 59.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.362 0.665 . . . . 0.0 110.781 171.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.6 mm -74.84 -32.82 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 C-N-CA 122.923 0.489 . . . . 0.0 109.707 -173.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 65.1 t80 -53.71 -32.77 53.24 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 123.505 0.722 . . . . 0.0 112.923 179.374 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -59.68 -21.76 61.02 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 125.121 1.368 . . . . 0.0 113.059 179.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -77.16 -46.31 23.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 122.967 0.507 . . . . 0.0 111.616 169.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -55.51 -63.15 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.101 0 C-N-CA 125.959 1.704 . . . . 0.0 114.096 -167.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . 0.416 ' H ' HE21 ' F' ' 52' ' ' GLN . 0.0 OUTLIER -71.36 0.55 7.89 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.73 0.812 . . . . 0.0 112.586 -174.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.08 -16.65 61.47 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 122.935 0.494 . . . . 0.0 111.866 169.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.05 34.18 0.26 Allowed Glycine 0 CA--C 1.526 0.761 0 C-N-CA 123.964 0.792 . . . . 0.0 113.706 169.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -158.95 179.74 8.8 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.025 0.93 . . . . 0.0 111.525 -169.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 19.3 p -132.4 -3.09 3.43 Favored 'General case' 0 CA--C 1.526 0.034 0 N-CA-C 113.618 0.969 . . . . 0.0 113.618 176.228 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.31 124.57 15.1 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 123.681 0.793 . . . . 0.0 110.33 178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.0 144.5 78.7 Favored 'Trans proline' 0 N--CA 1.453 -0.862 0 C-N-CA 123.322 2.682 . . . . 0.0 113.397 176.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.2 t0 . . . . . 0 CA--C 1.531 0.236 0 C-N-CA 125.772 1.629 . . . . 0.0 113.802 171.326 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.585 3.385 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.629 3.429 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.886 4.686 . 0.576 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 O4'-C1'-N19 112.252 4.052 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.418 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C3'-C2'-C1' 104.696 3.551 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.418 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 C5'-C4'-C3' 107.855 -5.097 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.455 " H2'" ' HB2' ' D' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 C5'-C4'-C3' 109.358 -4.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C3'-C2'-C1' 103.828 2.586 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 110.489 2.289 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 C3'-C2'-C1' 104.954 3.838 . 0.123 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.884 3.684 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.44 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.993 0 C5'-C4'-C3' 112.502 -1.998 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 0 C5'-C4'-C3' 110.713 -3.191 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C4'-C3'-C2' 100.307 -2.393 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 111.739 3.539 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 111.276 3.076 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 1 C5'-C4'-C3' 109.291 -4.14 . 0.821 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C5'-C4'-C3' 110.453 -3.365 . 0.072 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 110.89 2.69 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 O4'-C1'-N19 111.791 3.591 . 0.699 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O4'-C1'-N19 112.44 4.24 . 0.544 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.115 0 O4'-C1'-N19 110.986 2.786 . 0.099 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.73 4.53 . 0.672 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 112.146 3.946 . 0.551 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 110.013 -3.658 . 0.413 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.005 0 O5'-C5'-C4' 114.171 2.837 . 0.29 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C5'-C4'-C3' 111.409 -2.727 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 0 C5'-C4'-C3' 111.983 -2.345 . 0.046 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 C5'-C4'-C3' 111.394 -2.737 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 0 O4'-C1'-N19 111.728 3.528 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 C4'-C3'-C2' 100.271 -2.429 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.253 3.053 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.433 4.233 . 0.808 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C4'-C3'-C2' 99.101 -3.599 . 0.601 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C4'-C3'-C2' 99.6 -3.1 . 0.204 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.523 3.323 . 0.662 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 P-O3'-C3' 122.416 2.263 . 0.022 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C5'-C4'-C3' 110.18 -3.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C3'-C2'-C1' 103.3 2.0 . 0.238 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 1 O4'-C1'-N19 113.162 4.962 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.418 1 C5'-C4'-C3' 108.381 -4.746 . 0.02 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 0 O4'-C1'-N19 111.769 3.569 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 1 O4'-C1'-N19 112.767 4.567 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.809 4.609 . 0.072 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 O4'-C1'-N19 112.585 4.385 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.282 3.082 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 1 O4'-C1'-N19 112.793 4.593 . 0.294 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.376 0 C3'-C2'-C1' 104.864 3.737 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 1 P-O3'-C3' 125.477 4.814 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.841 3.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.386 0 C5'-C4'-C3' 111.551 -2.633 . 0.395 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.41 1 O5'-C5'-C4' 117.355 5.11 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 0 O4'-C1'-N19 110.281 2.081 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 1 O4'-C1'-N19 112.644 4.444 . 0.515 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C4'-C3'-C2' 100.143 -2.557 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.161 2.961 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 1 O4'-C1'-N19 113.792 5.592 . 0.396 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.772 3.572 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.898 3.698 . 0.105 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.483 3.283 . 0.219 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 O4'-C1'-N19 111.977 3.777 . 0.543 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.491 3.291 . 0.653 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.489 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 C3'-C2'-C1' 105.05 3.944 . 0.481 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.489 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 99.483 -3.217 . 0.157 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 110.801 2.601 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . 0.579 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C3'-C2'-C1' 104.828 3.698 . 0.513 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.579 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.687 1 O5'-C5'-C4' 120.845 7.604 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.536 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.18 1 P-O3'-C3' 125.971 5.226 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 C5'-C4'-C3' 111.268 -2.821 . 0.878 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 1 O4'-C1'-N19 112.211 4.011 . 0.729 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C4'-C3'-C2' 100.15 -2.55 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.976 2.776 . 0.841 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 35.3 ttp . . . . . 0 N--CA 1.475 0.804 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.86 118.93 37.92 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.702 0.801 . . . . 0.0 109.45 -178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -104.77 135.82 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.121 0.968 . . . . 0.0 110.4 -178.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.6 mt -134.73 153.95 51.79 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.685 1.194 . . . . 0.0 110.143 178.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 37.7 m -128.08 101.11 6.14 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.92 0.888 . . . . 0.0 109.788 -174.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 16.6 mtp180 -128.7 155.55 44.88 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 122.01 -0.431 . . . . 0.0 111.78 -175.277 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.9 161.91 13.8 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.159 0.984 . . . . 0.0 111.285 -172.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.478 HG13 ' HA2' ' A' ' 24' ' ' GLY . 48.1 t -43.58 128.27 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.652 0.781 . . . . 0.0 110.787 169.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.06 -15.16 63.97 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 124.263 0.935 . . . . 0.0 113.843 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -86.31 170.77 11.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 118.785 1.293 . . . . 0.0 112.749 178.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 72.4 m -139.28 155.88 47.43 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.68 0.992 . . . . 0.0 113.68 -169.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.459 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 12.8 mm -126.09 157.84 35.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 126.496 1.918 . . . . 0.0 109.683 177.544 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -128.66 140.71 51.62 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.357 1.063 . . . . 0.0 111.438 179.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 31.8 mt -133.58 131.48 57.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.413 1.085 . . . . 0.0 109.751 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.01 -130.96 33.35 Favored Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.217 -0.753 . . . . 0.0 111.217 -179.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -125.78 1.82 7.44 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.872 0.869 . . . . 0.0 112.103 177.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.54 -17.12 1.52 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -107.06 134.09 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 CA-C-N 119.027 0.83 . . . . 0.0 110.342 -174.064 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -128.09 142.72 51.12 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.698 0.799 . . . . 0.0 109.694 172.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.3 mm -120.73 143.81 31.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.739 1.216 . . . . 0.0 108.497 -178.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.9 m -136.46 132.76 35.81 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.235 0.614 . . . . 0.0 110.064 176.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.52 96.52 3.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 170.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.8 mt -68.91 -30.48 68.97 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -173.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.478 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 172.32 -171.18 44.1 Favored Glycine 0 CA--C 1.525 0.677 0 CA-C-N 117.712 0.233 . . . . 0.0 113.566 169.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.0 p -137.0 147.27 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.716 0.807 . . . . 0.0 111.144 -171.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 68.4 m -141.48 70.61 1.34 Allowed 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.854 1.262 . . . . 0.0 109.976 -170.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.49 -124.57 10.97 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.568 -0.613 . . . . 0.0 111.568 -176.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -80.15 -1.75 41.66 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 117.287 0.544 . . . . 0.0 112.259 172.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -98.91 155.49 17.37 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-O 121.837 0.827 . . . . 0.0 111.886 170.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -139.15 126.62 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 126.041 1.737 . . . . 0.0 108.31 -168.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.3 ttt180 -104.34 101.82 11.51 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.48 0.712 . . . . 0.0 110.303 -175.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.2 mt -107.86 130.74 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.224 1.409 . . . . 0.0 109.615 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.77 138.37 14.13 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 169.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -112.97 132.14 62.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 125.168 1.387 . . . . 0.0 108.47 176.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.1 t30 -121.02 75.05 1.12 Allowed 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.512 1.125 . . . . 0.0 109.27 178.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -107.39 154.24 40.75 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 125.11 1.364 . . . . 0.0 110.663 174.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.8 Cg_endo -72.19 154.09 56.83 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.564 2.176 . . . . 0.0 110.364 175.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -68.83 -4.78 17.51 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -67.8 -24.84 65.35 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.947 0.899 . . . . 0.0 111.99 169.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -117.71 144.09 26.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 CA-C-O 121.98 0.895 . . . . 0.0 111.917 175.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.14 143.03 29.08 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.315 1.046 . . . . 0.0 110.874 -178.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -133.62 125.49 49.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.921 0.488 . . . . 0.0 110.451 175.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 94.8 m-70 -151.26 158.82 44.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -173.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 4.6 mtp180 -68.41 162.31 25.71 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.535 1.134 . . . . 0.0 110.414 169.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 tp10 -59.58 -43.6 93.6 Favored 'General case' 0 N--CA 1.456 -0.134 0 O-C-N 121.562 -0.711 . . . . 0.0 112.796 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 pm0 -79.73 1.7 25.57 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 3.6 mt -120.17 -8.76 10.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 C-N-CA 124.459 1.104 . . . . 0.0 110.687 176.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 72.0 t80 -80.07 -40.06 28.41 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 120.349 -1.47 . . . . 0.0 110.509 169.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.6 mt-30 -73.28 -23.38 60.3 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.792 0.437 . . . . 0.0 111.826 -174.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -70.36 -26.77 63.89 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.298 0.639 . . . . 0.0 111.388 173.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.2 mt -80.08 -51.8 15.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.145 0.978 . . . . 0.0 109.568 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 88.8 mm-40 -74.59 4.98 5.27 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.518 0.727 . . . . 0.0 111.359 -178.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.36 -22.75 67.06 Favored 'General case' 0 N--CA 1.449 -0.496 0 C-N-CA 123.606 0.763 . . . . 0.0 111.982 168.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.22 18.35 0.94 Allowed Glycine 0 CA--C 1.526 0.754 0 C-N-CA 123.804 0.716 . . . . 0.0 113.452 174.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.7 pp -127.74 173.69 9.73 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.637 1.175 . . . . 0.0 111.533 -175.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 37.0 p -141.53 160.28 40.48 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.931 0.892 . . . . 0.0 111.069 177.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.93 153.07 48.19 Favored Pre-proline 0 N--CA 1.453 -0.298 0 C-N-CA 124.119 0.967 . . . . 0.0 111.165 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -76.45 164.49 30.62 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.301 2.667 . . . . 0.0 111.934 177.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 124.332 1.053 . . . . 0.0 112.234 178.479 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.475 0.783 0 CA-C-O 119.61 -0.233 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -114.21 123.38 49.43 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.979 1.312 . . . . 0.0 107.602 168.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 60.5 mt -118.97 140.41 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -165.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -135.7 138.0 42.31 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 125.157 1.383 . . . . 0.0 110.66 -176.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.4 m -115.5 106.31 13.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 176.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -126.34 156.34 40.63 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.373 1.069 . . . . 0.0 110.301 -169.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 pttm -96.74 168.15 10.68 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 178.284 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.6 m -62.72 133.12 28.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 CA-C-O 121.244 0.545 . . . . 0.0 110.786 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.32 -2.48 78.35 Favored Glycine 0 CA--C 1.525 0.694 0 CA-C-O 119.094 -0.837 . . . . 0.0 114.526 -175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -87.76 162.36 17.07 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 119.051 1.425 . . . . 0.0 111.845 175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -130.67 157.68 42.13 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.395 0.678 . . . . 0.0 112.498 -171.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mt -145.24 159.9 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 126.225 1.81 . . . . 0.0 108.403 -172.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -141.62 146.0 35.69 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.5 0.72 . . . . 0.0 111.865 -169.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.0 mt -136.2 130.86 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.613 1.165 . . . . 0.0 109.587 -179.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -133.96 50.88 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.246 -0.742 . . . . 0.0 111.246 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -128.03 5.06 5.9 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.817 0.847 . . . . 0.0 112.697 172.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -115.69 -18.79 10.76 Favored 'General case' 0 N--CA 1.455 -0.175 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -179.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.14 135.85 55.0 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-N 119.016 0.825 . . . . 0.0 111.363 -169.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.4 m -130.18 149.68 51.78 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.942 1.297 . . . . 0.0 109.877 170.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -129.18 143.71 40.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.066 1.746 . . . . 0.0 108.393 -176.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 31.5 m -137.28 129.49 29.46 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.055 0.542 . . . . 0.0 109.939 174.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -80.78 104.45 9.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 N-CA-C 107.506 -1.294 . . . . 0.0 107.506 169.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 mt -70.74 -33.99 71.4 Favored 'General case' 0 N--CA 1.453 -0.324 0 O-C-N 121.922 -0.486 . . . . 0.0 110.752 -177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.21 176.11 31.93 Favored Glycine 0 C--N 1.336 0.54 0 N-CA-C 111.94 -0.464 . . . . 0.0 111.94 175.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -104.68 158.19 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 CA-C-O 121.388 0.613 . . . . 0.0 110.389 175.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -135.65 75.95 1.59 Allowed 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 124.66 1.184 . . . . 0.0 108.405 174.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.07 -122.6 5.8 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.07 -1.212 . . . . 0.0 110.07 -172.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.44 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -99.78 11.44 39.22 Favored 'General case' 0 N--CA 1.455 -0.209 0 O-C-N 122.052 -0.675 . . . . 0.0 111.541 171.764 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -99.1 158.41 15.69 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.939 0.896 . . . . 0.0 109.906 169.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.8 t -139.41 122.23 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.0 0.52 . . . . 0.0 110.282 -168.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -91.23 119.57 31.42 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 125.305 1.442 . . . . 0.0 109.654 177.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.48 134.14 64.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.087 0.955 . . . . 0.0 110.142 -169.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.32 139.83 14.63 Favored Glycine 0 CA--C 1.522 0.493 0 C-N-CA 123.713 0.673 . . . . 0.0 111.961 173.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.9 mt -124.57 131.01 73.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.093 0.957 . . . . 0.0 109.176 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.4 t-20 -131.84 77.09 1.75 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.63 -1.168 . . . . 0.0 109.732 -167.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.59 157.18 57.38 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.284 174.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -59.14 155.05 41.78 Favored 'Trans proline' 0 N--CA 1.447 -1.249 0 C-N-CA 121.705 1.603 . . . . 0.0 109.561 168.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.91 -0.83 10.05 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.899 0.88 . . . . 0.0 111.106 175.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -65.78 -25.7 67.37 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 126.634 1.974 . . . . 0.0 111.528 172.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.7 144.15 19.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.73 1.212 . . . . 0.0 109.951 176.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.04 140.56 30.92 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 121.405 0.621 . . . . 0.0 111.849 172.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.6 t -144.83 99.32 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.374 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.276 -166.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.5 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.8 OUTLIER -145.7 168.17 21.35 Favored 'General case' 0 N--CA 1.457 -0.078 0 C-N-CA 124.154 0.982 . . . . 0.0 110.553 179.497 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.459 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 35.9 ptt-85 -71.18 158.5 36.32 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.199 -0.313 . . . . 0.0 111.483 169.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -55.39 -32.84 62.97 Favored 'General case' 0 N--CA 1.457 -0.091 0 C-N-CA 123.929 0.892 . . . . 0.0 112.532 -176.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -53.77 -51.21 64.15 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 119.065 0.848 . . . . 0.0 110.565 174.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -73.72 -43.44 53.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 C-N-CA 124.899 1.279 . . . . 0.0 110.081 -171.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -48.5 -38.77 21.06 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.212 1.005 . . . . 0.0 112.015 177.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -68.86 -27.21 65.61 Favored 'General case' 0 N--CA 1.453 -0.31 0 N-CA-C 113.091 0.775 . . . . 0.0 113.091 -176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.449 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -79.41 -39.07 33.33 Favored 'General case' 0 CA--C 1.521 -0.145 0 CA-C-N 119.008 0.822 . . . . 0.0 110.478 173.323 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.516 HG22 ' NE2' ' B' ' 52' ' ' GLN . 87.3 mt -64.46 -42.55 95.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -178.093 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.516 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.2 mm-40 -77.58 5.0 9.95 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.257 0.836 . . . . 0.0 113.257 173.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.65 -18.84 50.53 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 118.285 0.493 . . . . 0.0 111.837 169.116 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.35 44.73 0.08 OUTLIER Glycine 0 CA--C 1.524 0.645 0 CA-C-O 119.494 -0.615 . . . . 0.0 114.397 169.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.04 -174.42 2.04 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.851 0.826 . . . . 0.0 112.596 -168.248 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.4 p -127.03 175.35 8.17 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.062 1.345 . . . . 0.0 109.636 167.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.19 122.35 1.29 Allowed Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 124.34 1.056 . . . . 0.0 111.39 178.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 88.1 Cg_exo -58.49 168.77 3.65 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 123.268 2.645 . . . . 0.0 114.581 -169.691 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 27.9 t70 . . . . . 0 N--CA 1.453 -0.275 0 C-N-CA 124.593 1.157 . . . . 0.0 113.391 -174.827 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.413 ' HA ' ' O ' ' D' ' 34' ' ' ILE 0.287 7.3 tpp . . . . . 0 N--CA 1.474 0.751 0 N-CA-C 116.34 1.978 . . . . 0.0 116.34 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.79 106.71 12.37 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 126.027 1.731 . . . . 0.0 106.527 166.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -82.16 133.73 28.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.539 0.736 . . . . 0.0 109.596 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -128.88 144.54 51.2 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.444 1.097 . . . . 0.0 110.053 170.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -114.7 128.02 56.08 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.186 0.594 . . . . 0.0 110.864 173.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.676 ' HE ' ' HB3' ' C' ' 10' ' ' GLU . 32.6 mtp85 -140.7 150.85 43.98 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 175.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.415 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 2.7 tptm -75.39 160.41 30.3 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 125.091 1.356 . . . . 0.0 110.594 175.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.4 m -59.42 143.8 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 O-C-N 121.443 -0.786 . . . . 0.0 112.377 177.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.91 -3.77 86.7 Favored Glycine 0 CA--C 1.528 0.858 0 C-N-CA 124.85 1.214 . . . . 0.0 113.549 -176.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.676 ' HB3' ' HE ' ' C' ' 6' ' ' ARG . 73.8 mm-40 -86.58 164.16 17.02 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 118.937 1.368 . . . . 0.0 113.56 -176.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 69.8 m -121.57 153.38 38.12 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.448 1.099 . . . . 0.0 112.99 -172.136 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mt -145.37 156.91 13.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.192 0 C-N-CA 126.979 2.112 . . . . 0.0 108.4 -176.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -131.76 152.63 50.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.019 -1.051 . . . . 0.0 112.353 -176.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.4 mt -136.11 135.83 49.86 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 125.009 1.324 . . . . 0.0 109.576 174.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.89 -137.83 49.28 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 111.315 -0.714 . . . . 0.0 111.315 -175.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -120.62 0.41 10.43 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 124.377 1.071 . . . . 0.0 111.011 169.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -122.49 -9.41 8.5 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.238 1.015 . . . . 0.0 113.239 -169.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -122.34 133.67 67.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 118.741 0.701 . . . . 0.0 110.659 -174.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 4.3 m -116.76 147.38 42.1 Favored 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.656 0.782 . . . . 0.0 109.968 171.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.6 mm -126.31 146.69 31.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 125.543 1.537 . . . . 0.0 108.147 177.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.0 m -143.62 133.05 23.4 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.409 -0.807 . . . . 0.0 110.364 179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -86.33 100.94 9.99 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.45 -1.315 . . . . 0.0 107.45 168.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.9 mt -75.54 -36.37 60.49 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.834 -0.541 . . . . 0.0 109.751 -175.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.63 -170.15 42.52 Favored Glycine 0 C--N 1.337 0.602 0 C-N-CA 120.953 -0.641 . . . . 0.0 113.761 169.242 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -121.83 154.47 26.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.384 0.674 . . . . 0.0 110.735 174.518 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -139.64 90.04 2.37 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.211 1.004 . . . . 0.0 108.609 174.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.01 -117.47 7.46 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.429 -1.068 . . . . 0.0 110.429 -169.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.27 -3.35 44.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.62 0.768 . . . . 0.0 112.177 176.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.468 ' HG3' ' HG2' ' D' ' 7' ' ' LYS . 21.4 mt-30 -81.52 157.94 24.64 Favored 'General case' 0 N--CA 1.453 -0.324 0 CA-C-O 121.761 0.791 . . . . 0.0 111.816 173.005 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 47.8 t -137.96 112.63 9.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 C-N-CA 125.716 1.606 . . . . 0.0 107.041 -176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -79.07 112.28 16.12 Favored 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 172.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.7 mt -109.97 127.1 67.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.857 1.263 . . . . 0.0 109.468 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.07 142.25 16.04 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 125.294 1.425 . . . . 0.0 111.303 169.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 62.8 mt -136.38 135.14 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.887 -1.153 . . . . 0.0 107.887 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t30 -138.07 94.74 2.92 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 -171.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.04 156.48 75.67 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 123.897 0.879 . . . . 0.0 110.474 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -62.11 151.43 81.9 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 122.737 2.291 . . . . 0.0 110.992 170.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.4 mmmp? -66.22 -1.0 2.87 Favored 'General case' 0 CA--C 1.527 0.088 0 C-N-CA 123.391 0.676 . . . . 0.0 112.557 172.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.76 -22.63 66.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.362 1.065 . . . . 0.0 111.33 169.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.36 149.54 27.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.204 1.002 . . . . 0.0 110.562 174.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.75 154.83 20.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.764 0.425 . . . . 0.0 111.455 177.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.1 m -138.66 131.29 38.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 N-CA-C 109.228 -0.656 . . . . 0.0 109.228 169.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.9 m-70 -153.74 167.08 30.82 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.105 0.562 . . . . 0.0 111.257 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.5 ' HA ' HD13 ' D' ' 12' ' ' ILE . 32.2 ptt-85 -87.3 158.0 19.16 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 166.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.68 -35.2 74.0 Favored 'General case' 0 CA--C 1.528 0.114 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -168.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -69.43 -18.9 63.78 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.109 0.963 . . . . 0.0 113.483 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.1 mm -98.53 -34.48 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.014 0.926 . . . . 0.0 110.952 173.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 72.6 t80 -52.65 -35.06 54.28 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.266 1.026 . . . . 0.0 112.159 -179.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.4 mt-30 -61.33 -24.98 66.83 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.802 0.841 . . . . 0.0 112.9 179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.3 ttt-85 -68.73 -38.54 80.24 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 118.499 0.59 . . . . 0.0 111.603 172.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.456 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.6 mp -68.43 -20.58 25.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 N-CA-C 109.582 -0.525 . . . . 0.0 109.582 177.67 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 74.4 mm-40 -94.59 2.07 55.63 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.7 1.2 . . . . 0.0 112.976 176.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.92 4.12 5.8 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 114.157 1.169 . . . . 0.0 114.157 -169.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 110.48 25.98 5.01 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 123.955 0.788 . . . . 0.0 112.984 178.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 53.4 mt -67.83 -17.61 64.57 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 117.597 0.699 . . . . 0.0 112.58 -175.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 91.5 m -74.32 -26.07 59.95 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.687 0.795 . . . . 0.0 111.621 176.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.8 82.8 13.46 Favored Pre-proline 0 N--CA 1.454 -0.267 0 C-N-CA 123.691 0.796 . . . . 0.0 110.833 177.263 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_exo -66.57 177.45 3.35 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 123.273 2.648 . . . . 0.0 113.691 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t0 . . . . . 0 N--CA 1.453 -0.282 0 C-N-CA 124.135 0.974 . . . . 0.0 112.438 179.35 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mmm . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 112.729 0.641 . . . . 0.0 112.729 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -133.9 112.36 11.21 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.118 1.767 . . . . 0.0 107.257 168.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.3 mp -110.59 137.9 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.769 1.228 . . . . 0.0 109.421 -171.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -156.2 159.21 38.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.375 0.67 . . . . 0.0 111.74 173.355 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 19.3 p -90.93 144.83 25.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 121.372 0.606 . . . . 0.0 112.044 172.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.441 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -132.38 145.94 51.6 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.551 1.141 . . . . 0.0 108.23 166.544 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.468 ' HG2' ' HG3' ' C' ' 29' ' ' GLN . 74.5 mttt -92.74 158.71 15.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.508 169.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.523 HG12 ' HA2' ' D' ' 24' ' ' GLY . 31.3 m -42.79 133.14 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 N-CA-C 112.935 0.717 . . . . 0.0 112.935 173.275 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.55 -6.01 80.27 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.365 0.983 . . . . 0.0 114.177 177.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -94.38 170.59 9.38 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 118.79 1.295 . . . . 0.0 112.615 -178.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 57.4 m -131.13 158.97 39.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -169.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.5 HD13 ' HA ' ' C' ' 44' ' ' ARG . 32.4 mm -139.69 153.78 23.66 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 128.412 2.685 . . . . 0.0 108.315 -174.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -132.36 145.79 51.5 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.041 0.936 . . . . 0.0 111.829 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 83.9 mt -133.38 139.56 48.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 124.834 1.253 . . . . 0.0 109.131 177.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.45 -131.88 52.27 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.91 -0.876 . . . . 0.0 110.91 -173.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -129.94 9.93 5.41 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.617 0.767 . . . . 0.0 111.675 169.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.64 -8.41 4.07 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.973 0.909 . . . . 0.0 112.953 -172.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.78 137.35 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 123.34 0.656 . . . . 0.0 110.608 -174.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.9 m -127.68 142.6 51.29 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.566 1.146 . . . . 0.0 109.489 174.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -125.94 141.14 46.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 124.956 1.302 . . . . 0.0 108.056 178.045 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 12.7 m -136.1 130.43 33.36 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -173.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -84.48 102.75 10.87 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 169.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 49.8 mt -73.3 -34.2 65.61 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 122.848 0.459 . . . . 0.0 110.241 -175.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . 0.523 ' HA2' HG12 ' D' ' 8' ' ' VAL . . . 169.37 179.72 41.43 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-O 121.049 0.249 . . . . 0.0 112.846 168.546 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.502 HG12 HG11 ' D' ' 8' ' ' VAL . 8.0 p -121.06 135.0 62.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.364 1.066 . . . . 0.0 110.091 -179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.7 m -133.36 79.08 1.81 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.794 1.238 . . . . 0.0 109.073 -170.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.98 -118.83 5.49 Favored Glycine 0 CA--C 1.523 0.59 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 -171.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.415 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mt-30 -94.83 -8.57 37.01 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.604 0.762 . . . . 0.0 111.077 173.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 17.8 mt-30 -79.54 147.97 31.96 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 123.177 0.591 . . . . 0.0 110.523 173.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 47.3 t -127.32 123.83 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.486 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 3.3 ttm-85 -95.7 107.75 19.99 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.495 1.118 . . . . 0.0 108.714 -176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -117.05 127.28 74.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.925 0.89 . . . . 0.0 109.982 -168.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.73 142.4 15.98 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.871 -0.891 . . . . 0.0 110.871 171.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' C' ' 1' ' ' MET . 4.5 mp -127.51 138.13 55.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 176.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 56.6 t30 -136.05 89.97 2.53 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -172.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.79 155.31 79.51 Favored Pre-proline 0 N--CA 1.451 -0.412 0 C-N-CA 124.676 1.191 . . . . 0.0 109.644 -177.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -62.8 151.59 83.22 Favored 'Trans proline' 0 N--CA 1.451 -1.029 0 C-N-CA 122.4 2.067 . . . . 0.0 110.905 169.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.05 -1.91 6.75 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 112.678 0.622 . . . . 0.0 112.678 173.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -66.05 -21.49 66.38 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.315 1.046 . . . . 0.0 111.325 168.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -126.09 159.86 34.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.226 1.01 . . . . 0.0 110.881 175.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.21 157.11 16.11 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.565 0.746 . . . . 0.0 112.172 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.5 123.73 2.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 O-C-N 121.793 -0.567 . . . . 0.0 109.773 167.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -152.31 159.65 43.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.234 0.614 . . . . 0.0 111.388 173.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 6.8 ptt85 -66.64 155.59 37.49 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.309 0.643 . . . . 0.0 110.353 167.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -55.88 -41.33 74.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 -167.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 pm0 -67.97 -22.42 65.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 112.722 0.638 . . . . 0.0 112.722 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 23.8 mm -90.4 -41.74 13.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 123.987 0.915 . . . . 0.0 110.894 177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 29.3 t80 -48.05 -36.05 12.26 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 124.904 1.281 . . . . 0.0 112.78 -174.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 75.8 mt-30 -60.2 -28.36 67.91 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.496 1.119 . . . . 0.0 112.962 -178.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -73.37 -35.64 65.96 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 124.342 1.057 . . . . 0.0 111.118 -174.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.65 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.9 mp -83.1 -18.62 10.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 127.29 2.236 . . . . 0.0 109.326 -176.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -105.0 -18.44 14.16 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -91.26 -11.85 36.93 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -171.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 148.47 -4.44 0.8 Allowed Glycine 0 CA--C 1.525 0.682 0 C-N-CA 123.621 0.629 . . . . 0.0 113.08 -170.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 80.66 135.48 0.06 Allowed 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 128.06 2.544 . . . . 0.0 112.22 168.23 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . 0.417 HG22 ' N4 ' ' G' ' 7' ' ' ' C' . 3.4 m -131.34 -14.81 3.3 Favored 'General case' 0 N--CA 1.452 -0.369 0 CA-C-N 114.332 -1.304 . . . . 0.0 112.526 -168.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -154.4 130.75 5.63 Favored Pre-proline 0 N--CA 1.453 -0.302 0 C-N-CA 124.622 1.169 . . . . 0.0 108.383 167.091 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 49.5 Cg_exo -64.85 173.04 6.21 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.177 1.918 . . . . 0.0 113.274 176.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 30.3 t70 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 124.393 1.077 . . . . 0.0 112.845 -179.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 17.1 tpt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -113.84 120.94 42.47 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.173 0.589 . . . . 0.0 110.157 -169.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.69 139.18 35.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.067 0.947 . . . . 0.0 109.82 -178.41 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -133.69 165.01 25.94 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.804 1.641 . . . . 0.0 110.578 -179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.0 97.04 4.2 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 167.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.41 ' HE ' ' CD ' ' E' ' 10' ' ' GLU . 0.1 OUTLIER -107.67 129.83 54.98 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.099 1.36 . . . . 0.0 110.049 -168.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . 0.449 ' HB3' HE21 ' F' ' 29' ' ' GLN 0.264 15.2 ptpt -98.68 146.94 25.35 Favored 'General case' 0 CA--C 1.514 -0.408 0 CA-C-O 123.516 1.627 . . . . 0.0 114.212 176.048 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . 0.5 HG13 ' HA2' ' E' ' 24' ' ' GLY . 27.5 t -34.91 118.03 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.446 -0.666 0 CA-C-N 110.317 -3.128 . . . . 0.0 110.227 174.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 105.22 -17.03 44.81 Favored Glycine 0 CA--C 1.528 0.893 0 CA-C-O 119.356 -0.691 . . . . 0.0 113.922 -178.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . 0.41 ' CD ' ' HE ' ' E' ' 6' ' ' ARG . 50.0 mt-10 -86.59 171.09 11.29 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.647 1.223 . . . . 0.0 111.879 172.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -133.13 155.48 49.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.943 0.897 . . . . 0.0 111.804 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 27.6 mt -125.38 160.85 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 126.647 1.979 . . . . 0.0 108.167 -179.109 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -134.86 150.9 50.53 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.649 -0.657 . . . . 0.0 111.732 173.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 36.9 mt -134.38 137.68 51.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.442 1.097 . . . . 0.0 109.182 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.42 -137.42 50.03 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.875 -0.49 . . . . 0.0 111.875 -178.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -122.71 8.83 9.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.985 0.914 . . . . 0.0 111.931 177.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -138.73 -9.14 1.4 Allowed 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.714 1.005 . . . . 0.0 113.714 -171.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -115.56 135.27 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.925 0.784 . . . . 0.0 110.508 -172.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 34.0 m -126.08 148.32 49.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.984 1.314 . . . . 0.0 109.198 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -137.79 150.12 25.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.83 0.852 . . . . 0.0 109.334 -177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 6.8 m -138.44 132.21 31.0 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 123.894 0.878 . . . . 0.0 111.013 -176.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -88.46 100.77 10.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 N-CA-C 108.636 -0.876 . . . . 0.0 108.636 169.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 24.5 mt -73.08 -24.13 60.62 Favored 'General case' 0 N--CA 1.454 -0.228 0 O-C-N 121.691 -0.631 . . . . 0.0 112.087 -171.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . 0.5 ' HA2' HG13 ' E' ' 8' ' ' VAL . . . 158.18 168.47 20.5 Favored Glycine 0 C--N 1.337 0.618 0 CA-C-N 118.577 0.626 . . . . 0.0 113.089 -170.056 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 16.2 m -114.52 156.63 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.285 0.634 . . . . 0.0 111.2 168.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 75.0 m -143.75 89.83 2.09 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.672 1.189 . . . . 0.0 108.107 168.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.48 -128.63 43.96 Favored Glycine 0 CA--C 1.526 0.778 0 CA-C-N 116.516 -0.311 . . . . 0.0 112.352 -171.311 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -75.84 -19.33 58.99 Favored 'General case' 0 N--CA 1.456 -0.159 0 CA-C-N 117.48 0.64 . . . . 0.0 112.177 173.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.06 147.03 36.92 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 121.639 0.733 . . . . 0.0 110.031 173.232 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -133.17 121.76 43.86 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.324 -1.362 . . . . 0.0 107.324 -174.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 23.7 ttm105 -89.43 120.91 31.17 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 109.167 -0.679 . . . . 0.0 109.167 -178.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.21 139.03 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.54 1.136 . . . . 0.0 110.302 -167.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.28 138.85 15.24 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 124.417 1.008 . . . . 0.0 110.869 169.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 19.5 mt -132.49 135.35 57.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.8 t-20 -138.24 101.16 4.32 Favored 'General case' 0 N--CA 1.451 -0.383 0 O-C-N 121.694 -0.629 . . . . 0.0 111.22 -169.008 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.77 156.26 79.59 Favored Pre-proline 0 N--CA 1.453 -0.324 0 C-N-CA 124.716 1.206 . . . . 0.0 110.537 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_endo -61.08 158.03 36.5 Favored 'Trans proline' 0 N--CA 1.451 -1.017 0 C-N-CA 122.842 2.361 . . . . 0.0 111.885 171.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.3 mmmm -68.41 -0.86 5.4 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.401 0.68 . . . . 0.0 112.704 169.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -64.98 -22.98 67.09 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 124.75 1.22 . . . . 0.0 111.333 169.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.9 154.98 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.412 1.085 . . . . 0.0 110.582 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.63 157.8 19.02 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.653 0.381 . . . . 0.0 111.467 172.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -155.05 126.24 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 O-C-N 122.042 -0.411 . . . . 0.0 110.968 169.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -151.76 170.03 20.75 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.208 1.003 . . . . 0.0 111.159 179.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -66.99 154.6 40.76 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 108.649 -0.871 . . . . 0.0 108.649 169.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -60.41 -23.59 64.49 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 122.107 -0.37 . . . . 0.0 111.783 179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -64.49 -48.79 73.88 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.578 1.151 . . . . 0.0 111.347 172.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.53 -31.14 22.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.575 0.75 . . . . 0.0 109.89 -176.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -54.62 -37.44 65.62 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.704 0.801 . . . . 0.0 112.379 177.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.3 mt-30 -69.99 -22.15 63.16 Favored 'General case' 0 N--CA 1.454 -0.251 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -69.84 -26.67 64.33 Favored 'General case' 0 CA--C 1.522 -0.11 0 CA-C-N 118.497 0.589 . . . . 0.0 110.316 172.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.803 ' HA ' HD12 ' E' ' 55' ' ' LEU . 92.7 mt -94.23 -39.3 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 C-N-CA 124.037 0.935 . . . . 0.0 110.891 -169.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . 0.456 ' NE2' HG22 ' E' ' 51' ' ' ILE . 28.4 mm-40 -73.66 3.04 6.89 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.849 0.357 . . . . 0.0 111.381 177.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.11 -19.08 64.8 Favored 'General case' 0 N--CA 1.45 -0.442 0 C-N-CA 125.054 1.342 . . . . 0.0 112.34 168.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.33 24.56 0.07 OUTLIER Glycine 0 CA--C 1.527 0.785 0 CA-C-O 119.278 -0.734 . . . . 0.0 114.82 169.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.803 HD12 ' HA ' ' E' ' 51' ' ' ILE . 33.6 mt -103.82 -36.62 7.76 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 118.568 1.184 . . . . 0.0 112.316 -170.057 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.45 -35.2 69.82 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.369 1.068 . . . . 0.0 110.806 -174.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.22 115.85 9.34 Favored Pre-proline 0 N--CA 1.451 -0.381 0 C-N-CA 124.952 1.301 . . . . 0.0 109.004 169.188 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_exo -58.2 138.63 86.94 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 122.758 2.305 . . . . 0.0 112.851 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.9 t70 . . . . . 0 CA--C 1.531 0.227 0 N-CA-C 114.976 1.473 . . . . 0.0 114.976 169.105 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.5 tpt . . . . . 0 N--CA 1.475 0.819 0 CA-C-O 120.006 -0.045 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -101.05 148.48 25.01 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.511 0.724 . . . . 0.0 111.288 174.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.6 137.57 57.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 123.549 0.739 . . . . 0.0 109.452 171.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -135.1 162.82 31.4 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 125.128 1.371 . . . . 0.0 110.181 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.2 m -129.58 97.0 4.4 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 169.03 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -105.56 137.65 43.04 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.488 1.515 . . . . 0.0 112.227 -169.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 15.5 mtmm -85.93 157.12 20.23 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.045 0.45 . . . . 0.0 112.104 177.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 12.1 m -59.61 138.24 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-O 121.148 0.499 . . . . 0.0 111.863 -179.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.14 -5.18 84.53 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.069 0.842 . . . . 0.0 114.11 -179.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 37.3 mt-10 -89.74 172.66 8.76 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.807 1.303 . . . . 0.0 112.368 176.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -133.45 157.22 46.14 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.746 0.818 . . . . 0.0 112.573 -175.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 92.0 mt -135.3 157.14 39.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 126.987 2.115 . . . . 0.0 107.341 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -131.6 150.25 52.22 Favored 'General case' 0 N--CA 1.453 -0.28 0 O-C-N 121.385 -0.822 . . . . 0.0 112.136 -176.192 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -134.99 138.79 48.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.628 1.171 . . . . 0.0 109.033 176.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.18 -135.31 51.95 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.31 -0.716 . . . . 0.0 111.31 -174.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -127.69 10.07 6.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.211 1.004 . . . . 0.0 112.367 172.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.0 m-20 -127.85 -18.11 4.32 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -178.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.5 136.18 40.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 119.039 0.836 . . . . 0.0 110.769 -171.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.4 m -126.85 143.22 51.33 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 124.525 1.13 . . . . 0.0 110.021 172.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -121.85 143.21 35.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.782 1.633 . . . . 0.0 107.985 175.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 30.0 m -136.3 130.41 32.91 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.081 0.552 . . . . 0.0 109.951 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -85.17 112.54 22.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 170.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 25.6 mt -86.17 -26.14 25.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.319 0.648 . . . . 0.0 111.354 -172.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.31 -172.56 33.53 Favored Glycine 0 CA--C 1.526 0.763 0 CA-C-N 117.89 0.314 . . . . 0.0 113.842 169.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.6 m -128.46 156.0 40.52 Favored 'Isoleucine or valine' 0 C--N 1.338 0.092 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -178.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -150.03 90.01 1.65 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 125.315 1.446 . . . . 0.0 108.656 168.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.1 -118.81 9.03 Favored Glycine 0 CA--C 1.526 0.76 0 O-C-N 121.68 -0.637 . . . . 0.0 111.769 -172.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -88.17 -22.35 24.09 Favored 'General case' 0 N--CA 1.456 -0.157 0 CA-C-N 117.724 0.762 . . . . 0.0 110.524 175.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . 0.449 HE21 ' HB3' ' E' ' 7' ' ' LYS . 10.1 mm-40 -69.62 126.61 30.26 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 118.278 0.49 . . . . 0.0 109.782 177.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 60.7 t -121.57 117.11 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.7 ttt180 -84.44 127.75 34.2 Favored 'General case' 0 N--CA 1.454 -0.268 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 -179.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.62 141.83 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 C-N-CA 124.03 0.932 . . . . 0.0 110.138 -168.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -118.48 143.64 17.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 124.26 0.934 . . . . 0.0 111.454 173.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.35 134.02 63.05 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.382 1.073 . . . . 0.0 109.828 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 55.6 t-20 -127.16 103.46 7.44 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.665 1.186 . . . . 0.0 109.28 -179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.49 158.84 72.55 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 123.663 0.785 . . . . 0.0 111.442 -177.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -63.87 162.42 28.88 Favored 'Trans proline' 0 N--CA 1.451 -0.978 0 C-N-CA 122.845 2.363 . . . . 0.0 112.357 174.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -70.12 -5.49 27.36 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.584 0.754 . . . . 0.0 112.56 172.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -68.9 -19.4 64.21 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.87 1.268 . . . . 0.0 112.583 172.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.7 m -128.17 166.92 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.711 0.804 . . . . 0.0 111.768 -175.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -107.33 167.45 9.91 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.398 1.079 . . . . 0.0 111.438 175.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.06 124.19 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.393 0.677 . . . . 0.0 110.677 170.561 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 16.2 m-70 -153.45 -178.44 7.0 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.174 0.99 . . . . 0.0 111.221 -179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ttp180 -76.39 155.65 33.87 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 168.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.1 tm-20 -58.49 -29.02 65.91 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.373 0.669 . . . . 0.0 112.224 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -58.14 -46.11 86.21 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.865 0.866 . . . . 0.0 111.284 172.735 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 mm -80.53 -31.23 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 C-N-CA 123.686 0.794 . . . . 0.0 109.636 -173.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . 0.526 ' HA ' HG12 ' F' ' 51' ' ' ILE . 74.9 t80 -53.21 -33.97 55.09 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 124.225 1.01 . . . . 0.0 112.99 178.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 69.5 mt-30 -67.48 -22.02 65.49 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.446 0.698 . . . . 0.0 112.186 -179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.2 mpt_? -86.03 -23.0 26.95 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.7 0.8 . . . . 0.0 110.925 173.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.526 HG12 ' HA ' ' F' ' 48' ' ' TYR . 6.2 mm -67.98 -56.59 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 123.667 0.787 . . . . 0.0 109.761 171.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -74.64 2.95 8.64 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.132 0.973 . . . . 0.0 112.255 -171.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.89 -20.89 65.16 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 124.109 0.964 . . . . 0.0 112.795 169.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.03 27.61 0.03 OUTLIER Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.655 1.022 . . . . 0.0 115.655 169.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.0 pp -160.34 -169.86 2.61 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 118.743 1.271 . . . . 0.0 111.377 -169.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 18.5 m -121.5 -27.08 4.84 Favored 'General case' 0 CA--C 1.528 0.1 0 C-N-CA 123.461 0.705 . . . . 0.0 112.676 174.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.81 120.94 5.13 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 123.178 0.591 . . . . 0.0 110.18 174.027 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -65.58 170.07 11.73 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 122.463 2.109 . . . . 0.0 113.29 175.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 19.2 t70 . . . . . 0 N--CA 1.453 -0.279 0 C-N-CA 124.983 1.313 . . . . 0.0 112.855 178.14 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O4'-C1'-N19 112.193 3.993 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.36 3.16 . 0.382 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 O4'-C1'-N19 112.482 4.282 . 0.596 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.321 4.121 . 0.085 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.428 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C3'-C2'-C1' 104.325 3.139 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.428 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 C5'-C4'-C3' 108.719 -4.52 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.458 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.068 1 C5'-C4'-C3' 109.376 -4.082 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C3'-C2'-C1' 103.987 2.763 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.416 0 O5'-C5'-C4' 113.789 2.564 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C3'-C2'-C1' 104.62 3.467 . 0.134 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 111.919 3.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.421 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 C5'-C4'-C3' 112.541 -1.973 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 1 C5'-C4'-C3' 108.534 -4.644 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 100.492 -2.208 . 0.564 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.782 3.582 . 0.817 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.239 3.039 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 1 O4'-C1'-N19 114.104 5.904 . 0.695 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.524 3.324 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.071 0 C4'-C3'-C2' 100.095 -2.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 O4'-C1'-N19 111.957 3.757 . 0.665 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.399 1 O4'-C1'-N19 112.473 4.273 . 0.642 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.11 2.91 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.004 1 O4'-C1'-N19 112.304 4.104 . 0.687 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 1 O4'-C1'-N19 112.217 4.017 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 N19-C1'-C2' 108.328 -3.17 . 0.785 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 C4'-C3'-C2' 100.518 -2.182 . 0.367 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.5 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 C4'-C3'-C2' 99.362 -3.338 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 C5'-C4'-C3' 111.779 -2.481 . 0.067 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 C5'-C4'-C3' 111.494 -2.671 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 C5'-C4'-C3' 109.165 -4.223 OUTLIER-EPSILON 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 P-O3'-C3' 125.16 4.55 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.139 2.939 . 0.603 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 112.236 4.036 . 0.896 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 99.238 -3.462 . 0.536 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 C4'-C3'-C2' 99.658 -3.042 . 0.435 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.611 3.411 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 0 O4'-C1'-N19 112.186 3.986 . 0.169 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 O4'-C1'-N19 111.245 3.045 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 0 C3'-C2'-C1' 103.477 2.197 . 0.247 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 1 O4'-C1'-N19 113.032 4.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 1 C5'-C4'-C3' 109.034 -4.311 . 0.021 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.275 2 C3'-C2'-C1' 106.472 5.525 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 0 O4'-C1'-N19 112.191 3.991 . 0.029 4b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.67 4.47 . 0.082 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 1 O4'-C1'-N19 112.837 4.637 . 0.242 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 0 O4'-C1'-N19 111.373 3.173 . 0.52 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.012 0 O4'-C1'-N19 112.198 3.998 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 O4'-C1'-N19 111.141 2.941 . 0.488 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 C4'-C3'-C2' 99.556 -3.144 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 110.982 2.782 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C5'-C4'-C3' 111.78 -2.48 . 0.45 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 1 O5'-C5'-C4' 117.154 4.967 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C5'-C4'-C3' 111.793 -2.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.886 1 O4'-C1'-N19 112.329 4.129 . 0.911 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.204 -2.496 . 0.417 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 O4'-C1'-N19 111.347 3.147 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.361 0 C3'-C2'-C1' 104.507 3.341 . 0.201 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.53 3.33 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 112.026 3.826 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 0 O4'-C1'-N19 111.075 2.875 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.938 3.738 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 O4'-C1'-N19 112.072 3.872 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C3'-C2'-C1' 104.256 3.063 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C4'-C3'-C2' 99.227 -3.473 . 0.013 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C4'-C3' 108.561 2.186 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C5'-C4'-C3' 111.942 -2.372 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 2 C5'-C4'-C3' 108.466 -4.689 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 109.047 -4.302 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 C4'-C3'-C2' 99.837 -2.863 . 0.739 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.994 1 O4'-C1'-N19 112.496 4.296 . 0.73 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C4'-C3'-C2' 99.393 -3.307 . 0.599 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 110.561 2.361 . 0.694 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.18 112.56 25.28 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.652 0.781 . . . . 0.0 109.253 -179.455 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -96.23 134.79 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 123.837 0.855 . . . . 0.0 110.116 -179.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -131.19 159.2 38.43 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.222 1.009 . . . . 0.0 109.906 176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 87.1 m -124.56 113.48 18.13 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.219 1.008 . . . . 0.0 108.643 -179.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.405 ' HG2' HD11 ' B' ' 32' ' ' ILE . 0.9 OUTLIER -131.32 139.96 49.66 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.401 0.68 . . . . 0.0 110.803 -167.781 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.0 162.3 13.07 Favored 'General case' 0 CA--C 1.522 -0.105 0 CA-C-N 118.663 0.665 . . . . 0.0 110.943 -177.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG13 ' HA2' ' A' ' 24' ' ' GLY . 71.5 t -44.37 129.63 1.49 Allowed 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 123.77 0.828 . . . . 0.0 110.847 175.147 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.04 -6.42 81.67 Favored Glycine 0 CA--C 1.527 0.828 0 C-N-CA 124.376 0.989 . . . . 0.0 114.816 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -86.6 169.05 13.09 Favored 'General case' 0 N--CA 1.456 -0.147 0 CA-C-N 119.244 1.522 . . . . 0.0 112.548 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.6 m -137.87 141.8 40.71 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.103 0.961 . . . . 0.0 111.949 -170.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.43 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.7 mm -124.29 154.13 31.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 126.162 1.785 . . . . 0.0 108.02 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -131.44 137.43 48.61 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.293 1.037 . . . . 0.0 110.114 -170.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -135.21 127.99 48.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.012 0.925 . . . . 0.0 109.31 -175.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.79 -134.96 35.18 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -121.03 -1.12 9.88 Favored 'General case' 0 CA--C 1.53 0.195 0 C-N-CA 123.963 0.905 . . . . 0.0 112.232 178.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -131.35 -20.15 2.7 Favored 'General case' 0 CA--C 1.529 0.17 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -169.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 21.8 mt -106.99 139.22 29.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 118.745 0.702 . . . . 0.0 110.74 -169.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 56.4 m -137.41 140.96 41.65 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.289 1.036 . . . . 0.0 109.284 175.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 14.2 mm -124.19 124.74 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.167 0.987 . . . . 0.0 108.69 -176.092 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 18.5 m -118.88 136.04 54.25 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.754 0.821 . . . . 0.0 109.577 -178.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tp -89.89 112.45 24.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 108.235 -1.024 . . . . 0.0 108.235 169.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -82.16 -22.55 36.03 Favored 'General case' 0 N--CA 1.454 -0.275 0 O-C-N 121.909 -0.495 . . . . 0.0 110.045 -177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.442 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 165.15 -167.98 39.04 Favored Glycine 0 C--N 1.338 0.686 0 CA-C-N 117.881 0.31 . . . . 0.0 113.665 168.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 26.4 m -131.01 161.01 41.81 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 124.061 0.945 . . . . 0.0 111.428 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.8 t -143.63 69.25 1.29 Allowed 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.769 1.228 . . . . 0.0 109.401 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.63 -119.51 10.16 Favored Glycine 0 CA--C 1.526 0.753 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 -176.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -71.08 -12.04 61.29 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.828 0.851 . . . . 0.0 111.853 175.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 31.5 mt-30 -98.91 157.41 16.33 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 122.061 0.934 . . . . 0.0 112.222 177.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -138.48 124.01 23.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.322 0 C-N-CA 126.021 1.728 . . . . 0.0 108.118 -169.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.7 ttt180 -103.29 101.88 11.82 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.546 0.739 . . . . 0.0 110.45 -175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -108.55 133.62 53.0 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 125.523 1.529 . . . . 0.0 109.604 -173.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.82 133.77 11.84 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 169.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -105.78 132.56 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 C-N-CA 124.657 1.183 . . . . 0.0 108.363 175.517 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -119.02 75.06 1.01 Allowed 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.631 1.172 . . . . 0.0 109.389 177.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.48 152.53 44.67 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 114.231 -1.35 . . . . 0.0 110.546 174.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -73.56 156.84 49.4 Favored 'Trans proline' 0 N--CA 1.45 -1.034 0 C-N-CA 122.491 2.127 . . . . 0.0 110.621 178.376 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.5 mtpt -67.88 -2.97 8.31 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 112.871 0.693 . . . . 0.0 112.871 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.87 -30.85 71.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.867 0.867 . . . . 0.0 111.571 169.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -120.23 144.11 29.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-O 121.882 0.848 . . . . 0.0 111.891 -176.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.08 143.08 41.53 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.53 1.132 . . . . 0.0 111.741 -174.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.1 t -129.88 120.89 50.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 123.224 0.61 . . . . 0.0 109.428 169.435 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.421 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 97.2 m-70 -148.92 171.99 15.43 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.371 0.669 . . . . 0.0 111.198 -179.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.11 158.96 16.97 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.521 0.728 . . . . 0.0 110.948 169.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.55 -28.23 69.72 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 114.214 1.19 . . . . 0.0 114.214 -167.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -74.69 -5.29 42.35 Favored 'General case' 0 CA--C 1.53 0.188 0 O-C-N 121.207 -0.933 . . . . 0.0 113.186 175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.9 mt -120.69 -30.07 1.66 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.774 1.23 . . . . 0.0 110.871 178.372 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -61.84 -32.13 72.44 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 118.886 0.766 . . . . 0.0 110.529 -177.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -76.14 -13.31 60.2 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.416 0.686 . . . . 0.0 112.077 179.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 ptm180 -78.66 -33.56 47.0 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.822 0.849 . . . . 0.0 110.887 169.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.598 HG22 HE21 ' A' ' 52' ' ' GLN . 32.2 mt -64.72 -52.62 52.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 172.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.598 HE21 HG22 ' A' ' 51' ' ' ILE . 77.9 mm-40 -84.21 5.28 27.08 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.544 0.738 . . . . 0.0 112.266 -174.236 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.38 -29.86 68.01 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.784 0.434 . . . . 0.0 111.014 168.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 162.36 9.23 0.04 OUTLIER Glycine 0 CA--C 1.526 0.774 0 CA-C-O 119.201 -0.777 . . . . 0.0 113.535 170.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.583 ' O ' HG23 ' A' ' 56' ' ' THR . 18.5 mt -86.13 90.57 8.17 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 118.872 1.336 . . . . 0.0 108.272 -173.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.583 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.2 p 162.59 -36.57 0.0 OUTLIER 'General case' 0 N--CA 1.458 -0.06 0 C-N-CA 127.807 2.443 . . . . 0.0 108.632 -169.397 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.14 153.53 95.92 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.705 1.202 . . . . 0.0 112.677 -169.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.9 Cg_endo -70.02 164.82 33.4 Favored 'Trans proline' 0 N--CA 1.452 -0.968 0 C-N-CA 123.433 2.755 . . . . 0.0 112.347 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.452 -0.353 0 C-N-CA 124.825 1.25 . . . . 0.0 112.204 179.862 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.8 tpp . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 119.492 -0.289 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -114.01 120.68 41.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 107.48 -1.304 . . . . 0.0 107.48 168.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 46.4 mt -116.94 139.18 44.98 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 122.791 0.437 . . . . 0.0 112.078 -165.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.5 mt -135.66 142.72 45.19 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 124.987 1.315 . . . . 0.0 110.716 -178.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.8 m -118.34 100.98 7.83 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 176.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 13.8 mtp85 -126.59 157.28 39.28 Favored 'General case' 0 CA--C 1.522 -0.118 0 C-N-CA 124.052 0.941 . . . . 0.0 110.874 -169.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 53.8 pttt -92.03 168.77 11.16 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -179.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.9 m -61.3 137.53 23.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.487 0.66 . . . . 0.0 111.241 174.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.65 -1.52 81.47 Favored Glycine 0 CA--C 1.526 0.757 0 CA-C-O 119.104 -0.831 . . . . 0.0 114.219 -175.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -84.89 159.32 20.36 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-N 118.768 1.284 . . . . 0.0 112.285 175.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -127.33 143.63 51.19 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.273 1.029 . . . . 0.0 110.891 -169.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 9.0 mt -137.43 151.75 26.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 125.134 1.374 . . . . 0.0 109.223 -170.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -136.1 140.58 43.83 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.086 0.554 . . . . 0.0 111.729 -169.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.1 mt -134.46 129.83 53.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.829 0.851 . . . . 0.0 109.759 178.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.59 -137.16 50.49 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.263 -0.735 . . . . 0.0 111.263 -174.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -125.85 5.06 7.34 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.749 0.819 . . . . 0.0 112.656 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.5 m-20 -112.54 -20.03 11.89 Favored 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.26 0.837 . . . . 0.0 113.26 179.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -116.7 135.38 57.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 119.045 0.838 . . . . 0.0 111.474 -169.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.8 m -130.97 148.22 52.7 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.814 1.246 . . . . 0.0 109.802 169.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.31 141.33 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.054 1.741 . . . . 0.0 108.059 -177.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 10.0 m -133.48 128.03 34.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 176.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.743 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.9 tp -81.91 106.1 12.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.31 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 169.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.6 mt -74.4 -32.64 62.77 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 121.992 -0.442 . . . . 0.0 110.78 -178.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 167.87 21.47 Favored Glycine 0 CA--C 1.522 0.502 0 C-N-CA 122.844 0.259 . . . . 0.0 112.545 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -100.09 147.1 7.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-O 121.04 0.448 . . . . 0.0 109.804 174.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 63.1 m -123.67 78.71 1.63 Allowed 'General case' 0 N--CA 1.451 -0.385 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 169.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.58 -119.3 4.96 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.832 -0.907 . . . . 0.0 110.832 -174.11 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.8 10.44 38.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.925 0.49 . . . . 0.0 111.043 173.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -98.92 155.39 17.43 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 124.199 1.0 . . . . 0.0 110.087 173.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 41.6 t -137.14 104.88 3.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 -169.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -82.02 115.2 21.06 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 124.218 1.007 . . . . 0.0 108.637 176.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.743 HG22 ' HA ' ' B' ' 22' ' ' ILE . 5.0 pt -133.11 139.71 48.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 123.354 0.662 . . . . 0.0 111.106 -175.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.37 140.54 15.04 Favored Glycine 0 C--N 1.333 0.394 0 CA-C-N 115.561 -0.745 . . . . 0.0 111.624 174.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -120.87 129.2 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-O 121.954 0.883 . . . . 0.0 108.951 179.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -129.4 79.62 1.92 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.334 -1.303 . . . . 0.0 109.411 -167.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.32 157.35 72.87 Favored Pre-proline 0 N--CA 1.45 -0.46 0 CA-C-N 113.919 -1.492 . . . . 0.0 109.354 177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_endo -59.32 154.5 46.43 Favored 'Trans proline' 0 N--CA 1.448 -1.196 0 C-N-CA 121.598 1.532 . . . . 0.0 109.893 168.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 10.7 mptt -70.0 -0.91 8.34 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.822 0.849 . . . . 0.0 111.843 172.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -65.85 -24.43 66.88 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.883 1.673 . . . . 0.0 111.042 172.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -110.51 144.0 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.59 1.156 . . . . 0.0 109.687 174.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.26 141.24 28.79 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.241 0.543 . . . . 0.0 111.149 172.167 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 11.2 t -142.49 99.22 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 CA-C-N 115.062 -0.972 . . . . 0.0 109.988 -166.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.44 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.5 OUTLIER -147.41 170.15 17.99 Favored 'General case' 0 C--N 1.338 0.067 0 C-N-CA 124.307 1.043 . . . . 0.0 111.228 -179.662 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.43 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -76.92 161.78 28.12 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 122.191 -0.318 . . . . 0.0 111.496 169.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -52.03 -42.43 63.07 Favored 'General case' 0 C--N 1.334 -0.082 0 C-N-CA 123.739 0.816 . . . . 0.0 112.462 -175.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 -47.99 -48.97 32.21 Favored 'General case' 0 CA--C 1.522 -0.114 0 C-N-CA 122.734 0.414 . . . . 0.0 110.89 177.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.0 mm -77.23 -47.56 26.55 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 C-N-CA 125.117 1.367 . . . . 0.0 110.135 -173.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -49.84 -38.22 34.05 Favored 'General case' 0 N--CA 1.449 -0.505 0 C-N-CA 124.425 1.09 . . . . 0.0 111.73 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 64.8 mt-30 -68.28 -27.3 66.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 -175.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -81.12 -38.12 27.76 Favored 'General case' 0 CA--C 1.522 -0.128 0 CA-C-N 119.244 0.929 . . . . 0.0 110.516 172.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.539 HG22 ' NE2' ' B' ' 52' ' ' GLN . 91.1 mt -63.59 -41.63 93.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 109.16 -0.681 . . . . 0.0 109.16 -177.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.539 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.7 mm-40 -79.61 4.94 14.45 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 172.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.74 -19.23 49.25 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.275 0.489 . . . . 0.0 111.501 168.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 137.39 46.11 0.08 OUTLIER Glycine 0 C--N 1.339 0.71 0 CA-C-O 119.455 -0.636 . . . . 0.0 114.267 169.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -169.06 -175.55 2.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 117.941 0.871 . . . . 0.0 112.724 -168.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 30.6 p -125.09 177.23 6.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 125.159 1.384 . . . . 0.0 109.578 167.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.415 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.76 118.91 1.09 Allowed Pre-proline 0 N--CA 1.455 -0.191 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.3 Cg_exo -63.51 169.02 10.4 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.266 1.977 . . . . 0.0 114.582 -168.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 19.7 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 124.742 1.217 . . . . 0.0 112.583 -179.473 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tpp . . . . . 0 N--CA 1.474 0.761 0 CA-C-O 119.198 -0.43 . . . . 0.0 110.255 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.52 111.35 22.54 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 107.866 -1.161 . . . . 0.0 107.866 167.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -87.38 134.99 26.32 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 124.035 0.934 . . . . 0.0 109.61 178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -130.36 142.92 50.5 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.815 1.246 . . . . 0.0 109.972 172.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 48.2 p -106.64 141.44 37.91 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 122.802 0.441 . . . . 0.0 111.124 171.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -139.1 138.74 37.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.613 0.765 . . . . 0.0 110.957 176.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.409 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 7.4 tptm -74.64 156.17 37.0 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 169.15 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 32.6 m -59.06 138.0 20.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.08 0 CA-C-N 119.283 0.947 . . . . 0.0 112.156 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.01 -5.69 81.82 Favored Glycine 0 CA--C 1.529 0.966 0 C-N-CA 125.096 1.331 . . . . 0.0 114.031 -177.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -90.0 179.38 5.97 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.949 1.374 . . . . 0.0 112.168 179.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.3 m -141.63 158.91 43.24 Favored 'General case' 0 C--N 1.339 0.122 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 -167.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 58.0 mt -139.36 156.44 26.94 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 C-N-CA 127.568 2.347 . . . . 0.0 108.439 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -131.42 146.78 52.42 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.277 1.031 . . . . 0.0 111.751 -177.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.1 mt -132.56 131.22 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.433 1.093 . . . . 0.0 108.701 173.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -137.79 48.4 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -169.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -122.57 6.74 9.49 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.808 0.843 . . . . 0.0 111.753 169.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -120.44 -11.79 9.07 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.845 0.858 . . . . 0.0 112.842 -172.312 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -120.37 133.48 66.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.505 0.722 . . . . 0.0 110.449 -176.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -125.86 141.26 52.07 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.399 1.08 . . . . 0.0 109.672 173.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.3 mm -119.48 136.83 55.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 124.829 1.252 . . . . 0.0 108.431 176.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -130.04 127.14 39.32 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.741 0.416 . . . . 0.0 110.183 178.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -79.88 108.59 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.345 0 N-CA-C 107.565 -1.272 . . . . 0.0 107.565 168.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.429 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.5 mt -84.63 -33.66 23.25 Favored 'General case' 0 N--CA 1.452 -0.351 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -175.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 168.34 -173.03 43.09 Favored Glycine 0 CA--C 1.524 0.598 0 CA-C-O 120.236 -0.202 . . . . 0.0 113.572 168.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.1 m -125.0 152.09 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 123.359 0.664 . . . . 0.0 110.909 174.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 53.1 m -141.95 99.14 3.47 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.492 1.117 . . . . 0.0 108.343 173.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.56 -124.65 15.89 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 110.797 -0.921 . . . . 0.0 110.797 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -94.27 -4.44 48.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.592 1.157 . . . . 0.0 112.109 175.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -80.86 151.13 28.81 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.879 0.847 . . . . 0.0 111.081 173.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 41.0 t -133.9 112.81 17.15 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 106.223 -1.769 . . . . 0.0 106.223 -176.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.429 ' HG2' HD12 ' C' ' 23' ' ' LEU . 13.7 ttm180 -76.19 110.5 10.74 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.487 -0.931 . . . . 0.0 108.487 170.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.7 mt -114.48 128.16 71.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 124.614 1.166 . . . . 0.0 109.301 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.35 140.61 15.08 Favored Glycine 0 CA--C 1.523 0.561 0 C-N-CA 123.818 0.723 . . . . 0.0 111.638 171.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 60.7 mt -124.85 121.75 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.579 1.152 . . . . 0.0 108.463 178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -115.91 103.01 10.19 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.245 0.618 . . . . 0.0 109.666 179.208 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -143.3 154.18 60.38 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.295 1.038 . . . . 0.0 110.297 -178.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 22.8 Cg_endo -63.17 152.27 80.53 Favored 'Trans proline' 0 N--CA 1.453 -0.903 0 C-N-CA 122.915 2.41 . . . . 0.0 111.231 173.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -66.59 -0.97 3.16 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 123.201 0.6 . . . . 0.0 112.551 172.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -65.92 -22.59 66.51 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.908 0.883 . . . . 0.0 111.064 168.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.68 146.53 28.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.432 1.093 . . . . 0.0 110.398 174.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.46 154.53 19.58 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 122.68 0.392 . . . . 0.0 111.233 178.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 m -137.75 131.51 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.038 0 C-N-CA 123.044 0.537 . . . . 0.0 110.183 174.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -157.32 159.31 37.38 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -175.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 52.5 ttt180 -66.2 147.81 52.77 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.686 -1.227 . . . . 0.0 107.686 165.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.8 tm-20 -61.14 -30.58 70.47 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.601 0.637 . . . . 0.0 112.426 -174.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -55.88 -46.6 78.24 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.83 0.852 . . . . 0.0 111.651 171.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 24.7 mm -82.92 -31.69 9.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 123.618 0.767 . . . . 0.0 110.561 -174.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . 0.41 ' HA ' HG12 ' C' ' 51' ' ' ILE . 40.6 t80 -54.07 -36.55 63.25 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.84 0.856 . . . . 0.0 112.219 178.181 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.68 -30.42 71.38 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 122.957 0.503 . . . . 0.0 112.029 -179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -71.63 -34.78 70.08 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.615 0.766 . . . . 0.0 111.813 175.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.41 HG12 ' HA ' ' C' ' 48' ' ' TYR . 6.8 mm -59.91 -28.1 40.09 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 123.405 0.682 . . . . 0.0 110.394 175.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.0 mm-40 -99.49 2.0 44.52 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.521 1.128 . . . . 0.0 111.871 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.89 -4.99 54.64 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.104 0.961 . . . . 0.0 112.987 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 93.78 110.3 2.11 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 124.211 0.91 . . . . 0.0 111.209 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 79.5 mt -133.13 151.28 52.0 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.128 0.971 . . . . 0.0 110.733 -171.59 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 36.8 p -94.03 -13.46 26.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.388 0.675 . . . . 0.0 112.626 175.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.59 86.47 16.14 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 123.715 0.806 . . . . 0.0 110.972 176.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 26.7 Cg_exo -64.36 152.63 80.67 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.943 2.428 . . . . 0.0 111.074 169.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 34.6 t70 . . . . . 0 CA--C 1.531 0.243 0 C-N-CA 125.879 1.672 . . . . 0.0 115.27 170.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.498 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.1 tpp . . . . . 0 N--CA 1.474 0.754 0 N-CA-C 110.533 -0.173 . . . . 0.0 110.533 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -114.7 113.81 24.81 Favored 'General case' 0 N--CA 1.451 -0.402 0 C-N-CA 125.537 1.535 . . . . 0.0 108.863 169.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.498 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.1 mp -104.44 137.53 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.775 1.23 . . . . 0.0 109.969 -176.743 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 81.0 mt -132.72 167.35 20.27 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.242 1.417 . . . . 0.0 111.132 176.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -110.37 114.8 28.54 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 165.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.77 134.78 51.63 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.028 0.931 . . . . 0.0 110.314 175.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 11.9 mtmt -92.37 157.12 16.78 Favored 'General case' 0 CA--C 1.52 -0.185 0 CA-C-N 119.102 0.864 . . . . 0.0 111.594 170.01 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.72 HG11 HG12 ' D' ' 25' ' ' VAL . 35.1 m -48.9 136.23 5.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.246 176.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.82 -6.28 79.53 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 124.538 1.066 . . . . 0.0 114.265 176.554 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -92.39 178.17 5.91 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 118.997 1.399 . . . . 0.0 112.523 178.097 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 52.2 m -136.9 161.4 36.12 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.075 0.95 . . . . 0.0 112.823 -174.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 48.2 mt -137.36 157.98 34.86 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.16 0 C-N-CA 127.165 2.186 . . . . 0.0 108.397 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -123.37 149.83 44.46 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.461 0.704 . . . . 0.0 111.584 176.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 66.3 mt -134.61 129.22 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.742 1.217 . . . . 0.0 109.254 174.087 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.63 -133.69 44.41 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 -173.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.04 9.46 5.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.641 0.776 . . . . 0.0 112.628 169.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 39.3 m-20 -121.63 -19.51 6.83 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 -178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.48 132.03 61.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 CA-C-N 118.827 0.739 . . . . 0.0 110.532 -171.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 31.2 m -121.92 145.29 48.24 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.863 0.865 . . . . 0.0 109.891 175.463 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -123.8 143.67 36.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 125.26 1.424 . . . . 0.0 108.289 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 28.3 m -137.25 128.12 27.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.362 0.665 . . . . 0.0 109.343 178.027 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.33 97.77 6.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.141 -1.059 . . . . 0.0 108.141 175.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.7 mt -71.56 -32.81 68.52 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.058 0.543 . . . . 0.0 111.17 -169.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.06 -175.04 45.44 Favored Glycine 0 C--N 1.336 0.556 0 CA-C-O 121.393 0.441 . . . . 0.0 113.047 172.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.72 HG12 HG11 ' D' ' 8' ' ' VAL . 7.1 p -135.35 129.57 49.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 124.445 1.098 . . . . 0.0 110.111 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 72.1 m -132.59 88.41 2.52 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 125.533 1.533 . . . . 0.0 108.739 -173.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.78 -125.26 9.87 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.232 -0.747 . . . . 0.0 111.232 -172.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.409 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 64.7 mm-40 -89.46 -11.21 43.68 Favored 'General case' 0 N--CA 1.454 -0.258 0 CA-C-N 117.276 0.538 . . . . 0.0 111.373 171.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.2 134.89 36.17 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-O 121.617 0.722 . . . . 0.0 110.774 176.324 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 65.9 t -119.13 122.15 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 107.111 -1.44 . . . . 0.0 107.111 -176.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 9.2 ttm-85 -95.76 107.25 19.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 C-N-CA 123.963 0.905 . . . . 0.0 108.706 -172.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -116.75 125.43 73.7 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 123.74 0.816 . . . . 0.0 109.835 -169.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.03 136.22 13.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.82 -0.912 . . . . 0.0 110.82 171.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -119.17 142.62 33.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.855 0.862 . . . . 0.0 108.791 173.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -137.97 90.0 2.45 Favored 'General case' 0 N--CA 1.45 -0.437 0 C-N-CA 123.82 0.848 . . . . 0.0 108.903 -176.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.47 154.74 62.88 Favored Pre-proline 0 N--CA 1.452 -0.339 0 C-N-CA 124.706 1.202 . . . . 0.0 109.587 179.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_endo -60.41 148.94 88.8 Favored 'Trans proline' 0 N--CA 1.451 -1.013 0 C-N-CA 121.991 1.794 . . . . 0.0 110.67 170.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.0 mmmm -67.0 -4.79 10.56 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 175.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -68.22 -18.62 64.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.345 1.458 . . . . 0.0 112.441 169.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -125.61 159.58 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 123.863 0.865 . . . . 0.0 110.397 174.454 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.36 157.03 16.19 Favored 'General case' 0 N--CA 1.451 -0.407 0 N-CA-C 112.189 0.44 . . . . 0.0 112.189 -178.006 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -147.46 125.81 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 122.94 0.496 . . . . 0.0 109.98 168.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -148.56 165.63 30.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.478 0.711 . . . . 0.0 111.25 176.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 37.5 mtm180 -61.75 156.72 19.61 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 167.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 tm-20 -61.57 -31.53 71.58 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 118.457 0.571 . . . . 0.0 110.639 169.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 52.9 tt0 -50.97 -50.34 58.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.355 1.462 . . . . 0.0 111.456 169.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 4.1 mm -81.71 -40.54 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 C-N-CA 124.182 0.993 . . . . 0.0 110.014 -171.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -47.56 -39.66 17.06 Favored 'General case' 0 N--CA 1.448 -0.575 0 C-N-CA 125.24 1.416 . . . . 0.0 112.224 -178.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 62.5 mt-30 -57.54 -31.42 66.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.498 1.119 . . . . 0.0 112.619 178.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 mpt_? -72.71 -34.67 67.28 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-N 118.527 0.603 . . . . 0.0 110.953 175.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.706 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.4 mp -73.12 -18.86 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.406 0.682 . . . . 0.0 109.609 178.389 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 11.1 mm-40 -90.67 -23.4 20.77 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 172.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.08 -35.29 5.7 Favored 'General case' 0 CA--C 1.53 0.192 0 N-CA-C 114.773 1.397 . . . . 0.0 114.773 -169.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -178.17 74.19 0.07 OUTLIER Glycine 0 CA--C 1.524 0.655 0 C-N-CA 125.879 1.704 . . . . 0.0 109.475 -169.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.823 HD13 ' H ' ' D' ' 55' ' ' LEU . 0.0 OUTLIER -68.57 144.88 54.4 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 126.978 2.111 . . . . 0.0 110.492 -168.379 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . 0.6 HG22 ' C4 ' ' G' ' 7' ' ' ' C' 0.263 0.6 OUTLIER -139.64 16.99 2.52 Favored 'General case' 0 N--CA 1.453 -0.323 0 N-CA-C 116.059 1.874 . . . . 0.0 116.059 175.185 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.69 95.6 7.05 Favored Pre-proline 0 N--CA 1.453 -0.289 0 O-C-N 121.72 -0.612 . . . . 0.0 109.969 169.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_exo -66.19 173.99 6.61 Favored 'Trans proline' 0 N--CA 1.453 -0.893 0 C-N-CA 123.119 2.546 . . . . 0.0 114.046 -173.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 N--CA 1.452 -0.358 0 C-N-CA 123.881 0.872 . . . . 0.0 111.761 178.761 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 10.1 tpt . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 110.6 -0.148 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -126.64 142.44 51.54 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.708 0.803 . . . . 0.0 109.75 169.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 34.0 mm -118.86 123.17 71.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.036 0.935 . . . . 0.0 109.16 -179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.59 151.65 39.15 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.584 1.554 . . . . 0.0 110.278 -174.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.405 HG22 ' HG3' ' F' ' 29' ' ' GLN . 0.7 OUTLIER -132.36 118.44 19.41 Favored 'General case' 0 N--CA 1.454 -0.252 0 N-CA-C 109.43 -0.582 . . . . 0.0 109.43 168.568 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.432 ' HG3' HD11 ' E' ' 12' ' ' ILE . 7.0 mmp_? -133.32 162.07 32.81 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.279 1.032 . . . . 0.0 110.214 -171.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 33.6 mtpt -122.75 164.94 17.39 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 123.388 0.675 . . . . 0.0 110.667 179.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -59.35 138.3 20.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 CA-C-O 120.939 0.399 . . . . 0.0 111.972 -169.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.2 -5.63 84.11 Favored Glycine 0 CA--C 1.526 0.755 0 C-N-CA 123.946 0.784 . . . . 0.0 114.443 -178.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -91.54 170.45 9.93 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-N 118.842 1.321 . . . . 0.0 111.792 177.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 62.2 m -135.05 155.24 51.09 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -170.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.432 HD11 ' HG3' ' E' ' 6' ' ' ARG . 30.0 mt -132.79 155.23 41.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 126.298 1.839 . . . . 0.0 107.876 178.7 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -139.01 145.26 39.44 Favored 'General case' 0 N--CA 1.453 -0.276 0 O-C-N 121.596 -0.69 . . . . 0.0 112.189 -169.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 59.9 mt -134.49 138.1 50.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.528 1.131 . . . . 0.0 109.325 -178.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.04 -133.23 50.96 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 -175.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -126.55 9.98 7.19 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.465 1.106 . . . . 0.0 111.464 174.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -138.61 -9.55 1.41 Allowed 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 -169.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.51 135.0 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 119.023 0.829 . . . . 0.0 110.595 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 79.9 m -132.68 143.53 49.7 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.118 0.967 . . . . 0.0 110.406 176.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.1 mm -117.63 139.6 44.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.843 1.657 . . . . 0.0 107.924 173.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 89.9 m -135.68 124.27 23.66 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.975 0.51 . . . . 0.0 110.108 175.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -73.82 109.48 6.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.315 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 171.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.8 mt -74.76 -31.11 61.68 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 122.189 -0.319 . . . . 0.0 110.309 179.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.7 179.44 29.11 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 123.432 0.539 . . . . 0.0 113.462 169.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.2 m -108.86 154.19 10.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 C-N-CA 123.648 0.779 . . . . 0.0 112.041 -175.111 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.8 m -143.52 89.94 2.12 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 125.538 1.535 . . . . 0.0 108.499 169.396 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 60.22 -130.01 48.4 Favored Glycine 0 CA--C 1.527 0.825 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 -171.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -70.85 -18.13 62.72 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 174.233 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . 0.512 ' CG ' HG22 ' F' ' 5' ' ' THR . 12.0 tt0 -86.71 144.79 26.94 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.297 0.639 . . . . 0.0 110.427 -178.016 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 30.0 t -139.66 119.79 13.84 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.425 0 N-CA-C 107.677 -1.231 . . . . 0.0 107.677 -169.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.8 ttm180 -95.92 124.44 39.93 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.092 0.557 . . . . 0.0 109.666 -178.024 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.25 130.82 57.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 123.254 0.622 . . . . 0.0 110.871 -167.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.72 143.44 17.16 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.111 0.862 . . . . 0.0 111.549 171.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 51.9 mt -132.93 124.9 51.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 124.911 1.284 . . . . 0.0 108.608 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.6 t-20 -127.03 98.99 5.52 Favored 'General case' 0 N--CA 1.449 -0.514 0 C-N-CA 122.934 0.493 . . . . 0.0 109.724 -169.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.57 155.53 71.68 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.389 1.075 . . . . 0.0 110.736 177.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -62.68 159.34 37.52 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.984 2.456 . . . . 0.0 112.066 171.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -69.11 -0.84 6.4 Favored 'General case' 0 N--CA 1.458 -0.048 0 C-N-CA 123.349 0.66 . . . . 0.0 112.656 169.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.96 -23.0 67.09 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.706 1.202 . . . . 0.0 111.489 169.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.3 154.88 27.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.25 1.02 . . . . 0.0 110.568 178.62 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.47 155.79 19.85 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-N 116.295 -0.412 . . . . 0.0 111.475 172.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -155.01 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 C-N-CA 122.789 0.435 . . . . 0.0 110.306 168.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -150.75 168.8 23.29 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.113 0.965 . . . . 0.0 110.278 177.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt85 -78.6 161.32 27.06 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.762 -0.586 . . . . 0.0 109.968 169.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.55 -25.07 64.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -168.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -60.03 -52.31 65.92 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.825 0.85 . . . . 0.0 111.806 173.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 22.1 mm -75.82 -32.87 24.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.889 0.875 . . . . 0.0 109.838 -171.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.0 t80 -55.88 -35.05 66.07 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.254 1.022 . . . . 0.0 112.716 179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -68.19 -27.07 66.08 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.12 0.568 . . . . 0.0 112.269 -176.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.49 -23.0 61.72 Favored 'General case' 0 CA--C 1.522 -0.124 0 C-N-CA 123.691 0.796 . . . . 0.0 110.608 176.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 97.4 mt -96.7 -47.4 12.78 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 C-N-CA 123.945 0.898 . . . . 0.0 109.814 -170.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 69.8 mm-40 -71.15 3.0 3.85 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.13 0.789 . . . . 0.0 113.13 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.29 -26.23 68.29 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.713 0.805 . . . . 0.0 112.37 169.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 159.51 29.59 0.02 OUTLIER Glycine 0 CA--C 1.525 0.707 0 CA-C-O 119.313 -0.715 . . . . 0.0 114.83 169.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -160.07 -173.48 4.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.291 1.045 . . . . 0.0 111.481 -169.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -127.7 -31.77 2.42 Favored 'General case' 0 N--CA 1.458 -0.04 0 C-N-CA 123.35 0.66 . . . . 0.0 111.878 174.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -108.9 126.8 28.57 Favored Pre-proline 0 N--CA 1.455 -0.223 0 C-N-CA 123.659 0.784 . . . . 0.0 110.096 174.267 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 99.5 Cg_exo -49.94 144.17 22.16 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.354 2.703 . . . . 0.0 114.101 179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t70 . . . . . 0 CA--C 1.53 0.179 0 C-N-CA 125.831 1.652 . . . . 0.0 115.126 169.376 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.4 tpt . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 111.374 0.139 . . . . 0.0 111.374 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.6 mt -96.92 151.03 20.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.054 0.541 . . . . 0.0 111.505 173.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.75 122.72 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 169.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -113.22 150.48 32.28 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.67 1.588 . . . . 0.0 108.759 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . 0.512 HG22 ' CG ' ' E' ' 29' ' ' GLN . 2.8 m -130.44 102.27 6.1 Favored 'General case' 0 N--CA 1.455 -0.204 0 CA-C-N 117.917 0.326 . . . . 0.0 110.715 171.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.42 ' CZ ' HG21 ' F' ' 22' ' ' ILE . 0.0 OUTLIER -134.72 162.17 33.08 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.052 0.76 . . . . 0.0 113.052 -176.457 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 mtmm -100.01 171.17 8.01 Favored 'General case' 0 CA--C 1.519 -0.219 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -168.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 18.1 m -61.74 142.85 15.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.867 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 81.87 -1.96 84.9 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 123.746 0.689 . . . . 0.0 113.998 -176.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -91.12 -178.97 5.32 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.323 1.049 . . . . 0.0 111.516 177.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.6 m -146.59 153.31 40.2 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.782 0.833 . . . . 0.0 111.688 -169.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.58 151.85 28.54 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.123 0 C-N-CA 125.367 1.467 . . . . 0.0 108.447 174.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -127.28 150.03 49.75 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.576 -0.703 . . . . 0.0 112.607 -174.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 41.8 mt -136.03 141.9 40.4 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.559 1.144 . . . . 0.0 108.979 179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.86 -136.92 49.84 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -175.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -121.35 10.08 10.48 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.327 1.051 . . . . 0.0 111.508 175.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -140.79 -23.8 0.77 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 113.724 1.009 . . . . 0.0 113.724 -169.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.38 136.39 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 119.05 0.841 . . . . 0.0 110.45 -172.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 22.9 m -128.24 136.82 51.56 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.264 1.026 . . . . 0.0 110.191 174.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -112.02 140.33 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.959 1.304 . . . . 0.0 108.085 169.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 20.1 m -134.92 135.97 41.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.774 0.829 . . . . 0.0 109.659 -178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . 0.42 HG21 ' CZ ' ' F' ' 6' ' ' ARG . 1.4 tp -96.57 116.53 38.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 177.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 14.7 mt -83.92 -27.0 28.87 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 122.885 0.474 . . . . 0.0 110.542 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 150.36 -171.71 30.22 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 123.273 0.463 . . . . 0.0 113.118 168.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.5 m -125.06 159.71 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 C-N-CA 123.258 0.623 . . . . 0.0 112.29 -177.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 20.2 t -148.28 89.94 1.76 Allowed 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.824 1.25 . . . . 0.0 108.842 169.369 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.44 -122.63 29.82 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.317 -0.713 . . . . 0.0 111.317 -170.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -73.13 -15.84 61.46 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 178.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . 0.405 ' HG3' HG22 ' E' ' 5' ' ' THR . 9.6 tt0 -86.39 141.89 28.84 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-O 121.398 0.618 . . . . 0.0 110.808 -176.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 48.6 t -133.4 113.14 18.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.475 0 C-N-CA 126.764 2.026 . . . . 0.0 106.637 -177.117 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -91.75 128.17 37.49 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.625 0.77 . . . . 0.0 108.952 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -131.29 142.2 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.995 0.918 . . . . 0.0 110.879 -166.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.3 143.11 16.39 Favored Glycine 0 CA--C 1.525 0.702 0 C-N-CA 124.498 1.046 . . . . 0.0 110.919 169.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.6 mt -129.7 135.25 61.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.134 0.973 . . . . 0.0 108.996 -176.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 54.9 t-20 -134.86 109.22 8.37 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 123.602 0.761 . . . . 0.0 109.755 -177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.32 157.76 74.84 Favored Pre-proline 0 N--CA 1.454 -0.274 0 C-N-CA 123.742 0.817 . . . . 0.0 111.625 179.028 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -66.85 162.12 39.12 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 123.047 2.498 . . . . 0.0 112.148 173.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 49.0 tttm -64.15 -16.39 61.78 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 124.227 1.011 . . . . 0.0 112.752 173.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -67.8 -16.74 64.26 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 125.133 1.373 . . . . 0.0 112.67 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -127.36 165.08 26.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.684 0.794 . . . . 0.0 111.189 -178.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.88 164.03 12.54 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 123.248 0.619 . . . . 0.0 111.734 174.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.6 p -155.07 127.85 1.09 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.655 0.782 . . . . 0.0 110.344 177.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -159.85 169.1 24.28 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.075 0.95 . . . . 0.0 110.98 -175.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.4 ptt-85 -87.42 165.43 15.57 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 167.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.56 -22.52 65.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 -172.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -66.67 -40.49 88.63 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.295 0.638 . . . . 0.0 111.131 177.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -84.32 -37.93 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.288 0.635 . . . . 0.0 109.303 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . 0.48 ' HA ' HG12 ' F' ' 51' ' ' ILE . 66.3 t80 -55.22 -35.65 65.14 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.662 0.785 . . . . 0.0 112.668 -179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 60.2 mt-30 -67.09 -22.0 65.85 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.428 0.691 . . . . 0.0 112.249 -178.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.8 mpt_? -85.07 -23.01 28.72 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.363 0.665 . . . . 0.0 111.446 174.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.48 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.6 mm -69.06 -57.07 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.627 0.771 . . . . 0.0 109.359 171.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 80.7 mm-40 -76.54 3.03 12.25 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 123.816 0.846 . . . . 0.0 112.36 -170.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.06 -25.2 66.77 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 124.138 0.975 . . . . 0.0 112.455 169.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.05 30.73 0.03 OUTLIER Glycine 0 CA--C 1.525 0.684 0 CA-C-O 119.366 -0.686 . . . . 0.0 114.495 169.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -159.17 -174.0 4.49 Favored 'General case' 0 N--CA 1.454 -0.256 0 CA-C-N 118.281 1.04 . . . . 0.0 111.696 -169.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 15.3 m -139.66 143.39 37.12 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.957 0.903 . . . . 0.0 109.627 169.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 49.53 79.73 0.33 Allowed Pre-proline 0 CA--C 1.531 0.229 0 C-N-CA 125.444 1.498 . . . . 0.0 113.075 177.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -57.81 161.44 12.71 Favored 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.349 2.699 . . . . 0.0 114.49 -175.102 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 13.2 t70 . . . . . 0 N--CA 1.454 -0.274 0 C-N-CA 125.707 1.603 . . . . 0.0 113.127 176.482 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O4'-C1'-N19 112.062 3.862 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.989 3.789 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.034 1 O4'-C1'-N19 112.891 4.691 . 0.472 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 112.088 3.888 . 0.227 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.755 3.555 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 C5'-C4'-O4' 114.684 3.917 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.706 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.038 1 O4'-C1'-N19 112.274 4.074 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C3'-C2'-C1' 104.601 3.445 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.307 0 O4'-C1'-N19 110.57 2.37 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.286 0 C5'-C4'-C3' 110.384 -3.41 . 0.21 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 O4'-C1'-N19 111.384 3.184 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C5'-C4'-C3' 111.8 -2.467 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 C5'-C4'-C3' 108.844 -4.438 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 100.574 -2.126 . 0.573 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 O4'-C1'-N19 111.744 3.544 . 0.77 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 0 O4'-C1'-N19 111.593 3.393 . 0.385 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.554 3.354 . 0.868 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 N19-C1'-C2' 109.574 -2.391 . 0.257 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 110.88 2.68 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 112.157 3.957 . 0.655 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 1 O4'-C1'-N19 112.439 4.239 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O4'-C1'-N19 110.667 2.467 . 0.115 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 113.013 4.813 . 0.607 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 112.032 3.832 . 0.46 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 N19-C1'-C2' 108.062 -3.336 . 0.75 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.969 0 C4'-C3'-C2' 99.518 -3.182 . 0.391 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.44 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 111.887 -2.409 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.361 0 C3'-C2'-C1' 99.569 -2.145 . 0.054 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 111.55 -2.634 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 C5'-C4'-C3' 109.265 -4.157 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 P-O3'-C3' 125.123 4.52 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 111.205 3.005 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 O4'-C1'-N19 112.49 4.29 . 0.841 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C4'-C3'-C2' 99.188 -3.512 . 0.527 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 110.989 2.789 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 O4'-C1'-N19 111.42 3.22 . 0.666 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.973 0 O4'-C1'-N19 111.967 3.767 . 0.083 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 112.138 3.938 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.293 0 C3'-C2'-C1' 104.125 2.917 . 0.201 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 1 O4'-C1'-N19 113.205 5.005 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 C5'-C4'-C3' 108.674 -4.551 . 0.023 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.3 4.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 1 O4'-C1'-N19 112.671 4.471 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.98 1 O4'-C1'-N19 112.562 4.362 . 0.074 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 1 O4'-C1'-N19 112.652 4.452 . 0.352 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.053 2.853 . 0.429 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 112.125 3.925 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 C3'-C2'-C1' 104.977 3.863 . 0.223 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . 0.421 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C4'-C3'-C2' 99.628 -3.072 . 0.012 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 111.421 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 C5'-C4'-C3' 111.051 -2.966 . 0.423 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 1 O5'-C5'-C4' 116.932 4.808 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 O4'-C1'-N19 110.221 2.021 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 O4'-C1'-N19 112.676 4.476 . 0.504 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 C4'-C3'-C2' 100.248 -2.452 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.046 2.846 . 0.552 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.065 0 O4'-C1'-N19 111.608 3.408 . 0.09 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 112.102 3.902 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 1 O4'-C1'-N19 112.201 4.001 . 0.069 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 O4'-C1'-N19 111.289 3.089 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 O4'-C1'-N19 111.566 3.366 . 0.572 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.922 3.722 . 0.57 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 0 C3'-C2'-C1' 104.619 3.466 . 0.166 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 C4'-C3'-C2' 99.671 -3.029 . 0.086 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 0 O4'-C4'-C3' 108.883 2.416 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.469 0 C5'-C4'-C3' 110.912 -3.059 . 0.162 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.334 2 C5'-C4'-C3' 105.561 -6.626 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 1 P-O3'-C3' 125.768 5.057 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 110.882 2.682 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 1 O4'-C1'-N19 112.775 4.575 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 110.993 2.793 . 0.237 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 O4'-C1'-N19 111.23 3.03 . 0.481 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.6 ttp . . . . . 0 N--CA 1.474 0.739 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.57 116.42 30.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.297 0.639 . . . . 0.0 109.603 -176.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -100.4 135.27 37.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.717 0.807 . . . . 0.0 110.291 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 62.7 mt -133.69 159.6 40.06 Favored 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 124.594 1.158 . . . . 0.0 109.295 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.6 m -124.99 100.99 6.84 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 -176.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 11.4 mmp_? -106.46 136.37 46.34 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.301 0.64 . . . . 0.0 110.835 -172.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 20.1 mttt -94.57 156.14 16.57 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.6 m -61.37 129.59 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 119.665 -0.814 . . . . 0.0 111.586 -169.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.25 -6.31 53.29 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 124.486 1.041 . . . . 0.0 114.16 -175.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mt-10 -92.78 169.57 10.37 Favored 'General case' 0 CA--C 1.529 0.139 0 CA-C-N 118.823 1.312 . . . . 0.0 112.086 179.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.0 m -138.83 149.34 44.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.741 1.015 . . . . 0.0 113.741 -168.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.415 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 32.1 mm -113.97 152.03 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 125.525 1.53 . . . . 0.0 109.885 169.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -123.43 136.08 54.43 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 124.751 1.221 . . . . 0.0 109.701 176.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.3 mt -132.57 130.26 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.256 1.022 . . . . 0.0 109.425 -172.395 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.33 -128.1 24.5 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.241 -0.744 . . . . 0.0 111.241 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -129.99 0.83 4.77 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.041 0.936 . . . . 0.0 111.847 176.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -138.81 -9.11 1.38 Allowed 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 114.433 1.272 . . . . 0.0 114.433 -168.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.2 mt -114.26 138.73 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 CA-C-N 118.973 0.806 . . . . 0.0 110.431 -177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -135.36 149.94 49.82 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.513 0.725 . . . . 0.0 109.185 171.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.1 mm -130.3 139.56 51.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.036 1.334 . . . . 0.0 107.925 -175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 50.1 m -135.28 128.7 32.32 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 176.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -88.02 101.81 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 175.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -72.13 -31.58 66.14 Favored 'General case' 0 CA--C 1.53 0.174 0 O-C-N 121.617 -0.677 . . . . 0.0 110.394 -169.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.44 -171.6 40.75 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 115.451 0.94 . . . . 0.0 115.451 165.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 14.2 p -123.39 146.45 28.74 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 124.377 1.071 . . . . 0.0 111.892 -168.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.5 m -137.57 60.92 1.62 Allowed 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.297 1.439 . . . . 0.0 110.014 -176.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.63 -128.45 8.66 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.441 -0.664 . . . . 0.0 111.441 -172.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -76.37 -15.56 59.93 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 117.309 0.555 . . . . 0.0 111.964 -178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 3.0 pt20 -98.79 148.6 23.73 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-O 122.411 1.101 . . . . 0.0 112.7 172.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 74.0 t -131.3 121.08 47.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 126.432 1.893 . . . . 0.0 109.573 -166.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 10.7 tpp85 -83.57 107.32 15.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 C-N-CA 125.076 1.351 . . . . 0.0 111.652 174.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.9 mt -107.49 139.2 30.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 125.577 1.551 . . . . 0.0 109.229 179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -116.59 139.75 15.45 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 124.081 0.848 . . . . 0.0 111.662 172.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.51 138.88 41.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.947 1.299 . . . . 0.0 108.906 177.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.9 t-20 -124.62 74.97 1.37 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.229 1.412 . . . . 0.0 109.395 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.24 153.51 51.56 Favored Pre-proline 0 N--CA 1.452 -0.341 0 CA-C-N 114.421 -1.263 . . . . 0.0 110.833 177.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.9 Cg_endo -74.94 157.17 43.2 Favored 'Trans proline' 0 N--CA 1.45 -1.042 0 C-N-CA 122.661 2.241 . . . . 0.0 110.806 179.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.3 mtpt -67.55 -3.57 9.12 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 112.724 0.638 . . . . 0.0 112.724 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -65.89 -31.01 71.69 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.059 0.944 . . . . 0.0 111.706 169.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.3 m -119.62 143.97 29.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-O 121.856 0.836 . . . . 0.0 111.483 -176.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.52 143.04 36.94 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.848 0.859 . . . . 0.0 111.194 -173.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.6 t -132.23 119.03 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.54 0.736 . . . . 0.0 109.35 171.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.42 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 95.6 m-70 -151.27 154.33 36.58 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 122.968 0.507 . . . . 0.0 111.251 -176.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.89 163.72 23.17 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 122.175 -0.328 . . . . 0.0 111.651 169.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -60.15 -34.76 74.0 Favored 'General case' 0 CA--C 1.528 0.127 0 N-CA-C 114.0 1.111 . . . . 0.0 114.0 -169.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 pm0 -80.24 1.59 27.84 Favored 'General case' 0 CA--C 1.528 0.123 0 O-C-N 121.449 -0.782 . . . . 0.0 112.674 178.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.422 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 4.8 mt -125.57 -7.95 5.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 125.052 1.341 . . . . 0.0 110.893 175.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 67.7 t80 -80.05 -39.64 29.39 Favored 'General case' 0 N--CA 1.451 -0.384 0 O-C-N 120.379 -1.451 . . . . 0.0 110.798 170.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 49.3 mt-30 -76.48 -14.94 60.01 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.038 0.535 . . . . 0.0 112.225 -172.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 18.8 ptp180 -82.37 -23.4 35.01 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.474 1.11 . . . . 0.0 111.697 171.542 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.877 ' HA ' HD12 ' A' ' 55' ' ' LEU . 75.9 mt -77.76 -49.38 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.399 0.68 . . . . 0.0 109.789 175.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 83.7 mm-40 -77.88 5.12 10.28 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.352 0.661 . . . . 0.0 111.526 179.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.28 -33.83 76.37 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 123.722 0.809 . . . . 0.0 112.126 172.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.87 46.6 0.01 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 123.27 0.462 . . . . 0.0 112.566 177.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.877 HD12 ' HA ' ' A' ' 51' ' ' ILE . 25.2 mt -118.52 173.88 6.58 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.676 1.19 . . . . 0.0 108.474 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.9 t 47.81 32.27 2.61 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 125.193 1.397 . . . . 0.0 113.941 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -87.01 160.36 49.51 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.407 1.083 . . . . 0.0 111.346 -179.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo -68.97 -17.18 41.27 Favored 'Trans proline' 0 N--CA 1.453 -0.881 0 C-N-CA 123.192 2.595 . . . . 0.0 112.864 174.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.45 -0.441 0 C-N-CA 123.267 0.627 . . . . 0.0 111.088 -169.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.44 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 34.2 tpp . . . . . 0 N--CA 1.474 0.75 0 CA-C-O 119.631 -0.224 . . . . 0.0 111.067 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -113.54 120.69 41.86 Favored 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 107.239 -1.393 . . . . 0.0 107.239 167.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.478 HD11 " H5'" ' G' ' 52' ' ' ' A' . 51.5 mt -116.71 134.0 61.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 123.236 0.614 . . . . 0.0 111.499 -165.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.6 mt -138.81 148.04 43.27 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 125.077 1.351 . . . . 0.0 110.686 -169.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 7.9 m -111.81 120.2 41.19 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -122.82 124.49 43.41 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.385 1.074 . . . . 0.0 110.434 -175.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 36.8 ttpt -88.02 151.98 22.37 Favored 'General case' 0 C--N 1.332 -0.195 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 171.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 12.3 m -55.54 133.98 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 CA-C-O 121.221 0.534 . . . . 0.0 111.742 -169.218 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.34 -11.63 68.72 Favored Glycine 0 CA--C 1.527 0.788 0 CA-C-O 119.131 -0.816 . . . . 0.0 114.484 -174.437 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 88.9 mt-10 -84.1 168.98 15.35 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.854 1.327 . . . . 0.0 111.763 177.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 5.2 m -138.61 156.78 47.16 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 113.674 0.99 . . . . 0.0 113.674 -168.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.5 mm -129.46 148.29 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 C-N-CA 126.93 2.092 . . . . 0.0 108.956 176.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -121.16 146.18 47.04 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.294 1.038 . . . . 0.0 110.249 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 60.9 mt -133.83 129.11 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.868 0.867 . . . . 0.0 110.093 174.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -134.86 51.38 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.349 -0.7 . . . . 0.0 111.349 -177.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.33 5.06 6.3 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.768 0.827 . . . . 0.0 112.833 174.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -115.59 -17.98 11.02 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 179.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.99 133.27 65.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 119.363 0.983 . . . . 0.0 111.453 -169.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 25.9 m -127.24 146.89 50.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.449 1.1 . . . . 0.0 109.785 169.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -129.83 142.06 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 C-N-CA 125.412 1.485 . . . . 0.0 108.367 -178.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 47.2 m -138.45 130.99 29.07 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.034 0.533 . . . . 0.0 110.415 179.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -78.05 106.8 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.299 -1.001 . . . . 0.0 108.299 169.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.6 mt -73.12 -34.06 65.92 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.95 -0.469 . . . . 0.0 110.615 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.71 171.83 27.18 Favored Glycine 0 C--N 1.336 0.558 0 N-CA-C 112.058 -0.417 . . . . 0.0 112.058 173.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -101.13 147.49 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 121.196 0.522 . . . . 0.0 109.905 176.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.3 m -125.82 74.68 1.44 Allowed 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 124.302 1.041 . . . . 0.0 108.613 172.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.42 -122.03 5.62 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 -175.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.52 8.69 42.58 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 122.15 -0.618 . . . . 0.0 111.089 172.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.2 mt-30 -98.97 158.01 15.94 Favored 'General case' 0 N--CA 1.449 -0.506 0 C-N-CA 124.176 0.99 . . . . 0.0 109.807 169.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 t -140.98 114.7 5.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.879 -170.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.4 mmt85 -83.02 116.71 22.39 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.577 1.151 . . . . 0.0 109.843 177.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.3 mt -125.45 131.24 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.423 1.089 . . . . 0.0 109.628 -171.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.49 138.17 13.77 Favored Glycine 0 C--N 1.336 0.536 0 N-CA-C 111.564 -0.615 . . . . 0.0 111.564 172.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 53.0 mt -123.12 132.83 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.923 0.889 . . . . 0.0 109.293 177.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -133.04 79.2 1.83 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.186 -168.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.96 157.61 68.68 Favored Pre-proline 0 N--CA 1.449 -0.494 0 CA-C-N 113.942 -1.481 . . . . 0.0 109.584 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -60.37 157.66 34.86 Favored 'Trans proline' 0 N--CA 1.448 -1.156 0 C-N-CA 122.088 1.859 . . . . 0.0 111.67 169.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -68.99 -0.63 5.9 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.194 0.998 . . . . 0.0 112.2 168.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -65.85 -25.1 67.04 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.121 1.369 . . . . 0.0 111.306 170.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m -114.36 144.07 22.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.58 1.152 . . . . 0.0 110.298 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.55 143.05 27.4 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.297 0.57 . . . . 0.0 111.344 170.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.3 t -144.24 97.49 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 114.782 -1.099 . . . . 0.0 109.313 -166.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.461 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -144.61 163.46 33.86 Favored 'General case' 0 CA--C 1.523 -0.074 0 C-N-CA 123.923 0.889 . . . . 0.0 111.275 178.612 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.415 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.8 ptt-85 -66.26 158.01 30.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.325 -0.234 . . . . 0.0 110.909 169.264 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -54.37 -37.4 64.94 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.39 0.676 . . . . 0.0 112.394 -177.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 18.3 tt0 -49.46 -46.52 48.08 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.196 0.453 . . . . 0.0 111.182 176.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.0 mm -79.91 -47.14 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.431 0 C-N-CA 125.338 1.455 . . . . 0.0 110.035 -172.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 79.9 t80 -50.1 -36.94 31.62 Favored 'General case' 0 N--CA 1.448 -0.534 0 C-N-CA 124.248 1.019 . . . . 0.0 111.793 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.96 -23.84 64.19 Favored 'General case' 0 N--CA 1.454 -0.26 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 -176.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -83.92 -38.14 21.45 Favored 'General case' 0 CA--C 1.521 -0.136 0 CA-C-N 119.23 0.923 . . . . 0.0 110.913 170.726 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.531 HG22 ' NE2' ' B' ' 52' ' ' GLN . 93.2 mt -63.57 -41.23 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 -177.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.531 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.8 mm-40 -79.4 5.06 13.6 Favored 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 173.461 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.2 -19.14 47.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 122.946 0.498 . . . . 0.0 111.456 168.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.93 45.88 0.08 OUTLIER Glycine 0 C--N 1.339 0.697 0 CA-C-O 119.45 -0.639 . . . . 0.0 114.482 168.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.97 -175.98 2.5 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.926 0.863 . . . . 0.0 112.993 -168.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -125.79 177.49 6.25 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 125.588 1.555 . . . . 0.0 109.191 167.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.429 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.5 119.14 1.06 Allowed Pre-proline 0 CA--C 1.53 0.21 0 C-N-CA 124.833 1.253 . . . . 0.0 112.176 179.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 50.6 Cg_exo -71.35 -179.35 3.54 Favored 'Trans proline' 0 N--CA 1.453 -0.883 0 C-N-CA 121.649 1.566 . . . . 0.0 114.419 -169.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 . . . . . 0 N--CA 1.451 -0.421 0 CA-C-N 114.287 -1.324 . . . . 0.0 111.557 -176.197 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.426 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.3 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 115.896 1.813 . . . . 0.0 115.896 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -118.26 102.8 9.25 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 106.847 -1.538 . . . . 0.0 106.847 166.389 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.9 133.22 31.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 123.646 0.779 . . . . 0.0 109.437 177.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.4 mt -129.97 139.14 51.12 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.415 1.086 . . . . 0.0 109.555 169.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.4 p -101.22 146.25 27.76 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 121.265 0.555 . . . . 0.0 110.603 169.142 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.9 mmp_? -138.17 143.79 40.41 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.333 0.653 . . . . 0.0 109.97 173.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 0.5 OUTLIER -80.89 154.75 26.89 Favored 'General case' 0 N--CA 1.456 -0.131 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 167.615 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.9 m -59.26 134.14 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.119 0 O-C-N 121.512 -0.742 . . . . 0.0 111.431 -177.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.38 -4.79 77.3 Favored Glycine 0 CA--C 1.529 0.933 0 C-N-CA 124.529 1.062 . . . . 0.0 114.173 -176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -88.05 175.89 7.55 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-N 119.212 1.506 . . . . 0.0 112.073 175.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 62.6 m -137.83 158.26 44.72 Favored 'General case' 0 C--N 1.339 0.114 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -167.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 40.6 mt -139.33 156.35 26.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.22 0 C-N-CA 127.624 2.37 . . . . 0.0 108.801 -176.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -129.5 146.15 51.37 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.854 1.262 . . . . 0.0 111.377 -177.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.7 mt -135.16 138.02 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.467 1.107 . . . . 0.0 109.893 175.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.83 -132.5 51.11 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 -175.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -130.0 10.04 5.4 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.808 0.843 . . . . 0.0 110.976 169.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.6 -10.73 3.55 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.483 1.113 . . . . 0.0 112.654 -170.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.72 134.49 63.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.484 0.713 . . . . 0.0 110.398 -174.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 5.8 m -125.08 144.56 50.35 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.777 0.831 . . . . 0.0 109.722 174.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.4 mm -126.22 140.45 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.877 1.271 . . . . 0.0 108.524 -177.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 15.0 m -136.67 131.73 34.0 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.946 -0.471 . . . . 0.0 110.639 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.35 110.43 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 168.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 5.2 mt -85.77 -34.19 21.23 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 -174.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.53 -171.02 41.99 Favored Glycine 0 C--N 1.337 0.623 0 C-N-CA 121.965 -0.159 . . . . 0.0 113.307 168.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 8.4 m -120.38 152.84 23.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.319 0.648 . . . . 0.0 110.933 173.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.4 t -134.11 80.54 1.87 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.889 1.275 . . . . 0.0 108.184 176.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.75 -113.84 4.57 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.061 -1.215 . . . . 0.0 110.061 -168.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.84 -5.74 37.59 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.978 0.911 . . . . 0.0 112.388 176.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.14 154.83 26.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 122.914 0.486 . . . . 0.0 110.129 173.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.0 t -129.53 120.79 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 107.894 -1.15 . . . . 0.0 107.894 177.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.0 ttm180 -81.81 114.96 20.79 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 169.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 21.2 mt -120.25 128.61 75.99 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 125.315 1.446 . . . . 0.0 108.972 -174.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.26 139.64 14.5 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.334 0.969 . . . . 0.0 111.906 175.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 59.5 mt -126.82 120.07 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.469 1.108 . . . . 0.0 108.952 178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.3 t30 -114.03 102.48 10.22 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.535 0.734 . . . . 0.0 109.703 178.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.21 155.04 72.62 Favored Pre-proline 0 N--CA 1.453 -0.303 0 C-N-CA 123.958 0.903 . . . . 0.0 110.395 179.182 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 27.1 Cg_endo -64.73 153.16 79.11 Favored 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.942 2.428 . . . . 0.0 111.24 172.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmmm -66.75 -0.85 3.23 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 171.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -66.07 -23.26 66.49 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.302 1.041 . . . . 0.0 111.211 169.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.1 m -123.51 149.58 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.259 1.023 . . . . 0.0 110.712 175.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.74 153.11 21.96 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.72 0.408 . . . . 0.0 111.243 176.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.2 m -137.37 132.1 45.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 169.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -154.64 154.63 33.28 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.014 0.526 . . . . 0.0 111.517 -177.687 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 22.3 ptt-85 -72.2 165.15 24.98 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 166.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -64.17 -30.99 72.02 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -169.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -59.02 -47.52 84.93 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.907 0.883 . . . . 0.0 111.689 175.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 28.4 mm -86.31 -31.53 6.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.014 0.526 . . . . 0.0 110.521 -172.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -51.66 -37.47 50.62 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.785 0.834 . . . . 0.0 112.324 178.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -58.95 -30.55 67.97 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 123.704 0.801 . . . . 0.0 112.572 -179.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 68.8 ttt-85 -69.2 -37.15 77.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.689 0.796 . . . . 0.0 111.751 175.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' C' ' 55' ' ' LEU . 3.5 mp -68.88 -18.93 23.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.011 0.524 . . . . 0.0 110.155 176.105 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 70.6 mm-40 -98.27 2.16 47.94 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 123.927 0.891 . . . . 0.0 113.164 173.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.32 4.05 22.03 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 114.865 1.432 . . . . 0.0 114.865 -168.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 83.3 31.02 29.09 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-N 118.92 0.782 . . . . 0.0 112.057 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' C' ' 51' ' ' ILE . 0.7 OUTLIER -59.03 165.13 2.6 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.927 1.691 . . . . 0.0 113.456 173.459 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 31.8 p -73.16 155.09 39.99 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.529 0.731 . . . . 0.0 112.016 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 46.06 72.5 1.22 Allowed Pre-proline 0 CA--C 1.531 0.213 0 C-N-CA 125.468 1.507 . . . . 0.0 113.341 -173.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_exo -65.13 175.67 3.75 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 123.086 2.524 . . . . 0.0 113.24 175.47 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.455 -0.199 0 C-N-CA 124.034 0.934 . . . . 0.0 112.698 176.898 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.523 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.4 tpp . . . . . 0 N--CA 1.475 0.788 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -112.0 110.34 20.6 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 124.55 1.14 . . . . 0.0 109.465 177.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -103.46 141.04 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 125.073 1.349 . . . . 0.0 110.072 -176.547 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 97.7 mt -139.2 165.17 27.88 Favored 'General case' 0 N--CA 1.457 -0.085 0 C-N-CA 125.037 1.335 . . . . 0.0 111.814 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -115.06 113.79 24.51 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.008 0.923 . . . . 0.0 108.778 165.481 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -117.88 143.81 45.98 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.114 0.565 . . . . 0.0 109.979 169.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.9 mmtt -82.32 163.5 21.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.27 0.557 . . . . 0.0 110.792 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.5 m -52.21 135.21 13.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-N 115.459 -0.792 . . . . 0.0 111.826 169.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -1.51 78.72 Favored Glycine 0 CA--C 1.527 0.833 0 C-N-CA 124.299 0.952 . . . . 0.0 114.285 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -103.51 174.93 5.65 Favored 'General case' 0 CA--C 1.53 0.188 0 CA-C-N 118.896 1.348 . . . . 0.0 112.237 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -133.16 157.63 44.86 Favored 'General case' 0 N--CA 1.457 -0.076 0 N-CA-C 113.715 1.005 . . . . 0.0 113.715 -168.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 22.2 mt -140.72 162.83 22.88 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 C-N-CA 126.549 1.94 . . . . 0.0 108.597 178.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 24.2 m120 -138.66 147.84 43.31 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.46 1.104 . . . . 0.0 112.039 -172.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 61.6 mt -135.5 137.23 49.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.785 1.234 . . . . 0.0 109.118 176.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.09 -135.98 51.32 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.374 -0.69 . . . . 0.0 111.374 -175.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -124.33 7.95 8.44 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.0 0.92 . . . . 0.0 111.811 172.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -133.24 -8.88 2.96 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.411 0.893 . . . . 0.0 113.411 -172.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.64 136.31 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 CA-C-N 118.875 0.761 . . . . 0.0 110.625 -173.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 73.9 m -132.16 144.86 50.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.323 1.049 . . . . 0.0 110.001 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.2 mm -123.88 140.25 47.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.412 1.485 . . . . 0.0 108.303 177.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 14.4 m -132.75 123.77 26.85 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -80.19 108.12 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 N-CA-C 108.335 -0.987 . . . . 0.0 108.335 170.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 39.4 mt -78.55 -33.16 48.0 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.247 0.619 . . . . 0.0 110.527 -173.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.82 -175.95 41.35 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 112.774 -0.13 . . . . 0.0 112.774 170.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.8 m -108.96 160.27 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 122.994 0.517 . . . . 0.0 110.649 169.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.1 m -144.0 78.03 1.57 Allowed 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.75 0.82 . . . . 0.0 108.91 169.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.46 -114.86 3.97 Favored Glycine 0 CA--C 1.523 0.541 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 -172.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.429 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 71.6 mt-30 -90.58 -9.42 47.16 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.537 0.735 . . . . 0.0 110.761 173.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 10.9 mt-30 -72.68 150.85 42.59 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.652 0.739 . . . . 0.0 111.466 171.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.2 t -132.48 112.11 18.66 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.485 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 172.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm-85 -91.98 111.48 23.03 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.509 1.124 . . . . 0.0 108.555 -175.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -120.35 123.95 71.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 123.637 0.775 . . . . 0.0 110.275 -169.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.21 136.17 13.74 Favored Glycine 0 CA--C 1.522 0.501 0 N-CA-C 110.517 -1.033 . . . . 0.0 110.517 169.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . 0.426 ' O ' ' HA ' ' C' ' 1' ' ' MET . 65.3 mt -126.51 139.5 51.54 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 N-CA-C 108.558 -0.904 . . . . 0.0 108.558 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -138.08 100.5 4.17 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 -171.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.05 155.49 80.05 Favored Pre-proline 0 N--CA 1.451 -0.408 0 C-N-CA 124.402 1.081 . . . . 0.0 109.733 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -62.3 151.34 83.0 Favored 'Trans proline' 0 N--CA 1.452 -0.945 0 C-N-CA 122.308 2.005 . . . . 0.0 110.87 170.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -68.13 -2.14 7.36 Favored 'General case' 0 N--CA 1.457 -0.108 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 174.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -66.23 -22.47 66.33 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.631 1.172 . . . . 0.0 111.407 168.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.4 m -125.62 159.98 32.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.293 1.037 . . . . 0.0 110.789 176.189 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.4 157.12 16.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.255 0.622 . . . . 0.0 112.274 -177.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -150.17 127.02 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 O-C-N 121.682 -0.636 . . . . 0.0 110.615 168.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -151.06 167.48 27.55 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.989 0.916 . . . . 0.0 111.243 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.5 mtm180 -65.11 156.28 32.13 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 166.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.56 -34.95 74.91 Favored 'General case' 0 CA--C 1.526 0.057 0 CA-C-N 119.305 0.957 . . . . 0.0 111.565 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 58.4 mm-40 -55.73 -34.12 64.87 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.482 0.713 . . . . 0.0 112.27 173.442 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 38.4 mm -94.73 -38.2 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 C-N-CA 125.061 1.344 . . . . 0.0 110.337 -171.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.2 t80 -55.58 -43.21 75.76 Favored 'General case' 0 N--CA 1.448 -0.537 0 C-N-CA 122.76 0.424 . . . . 0.0 110.103 169.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -68.25 -22.23 64.78 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 11.3 mtt85 -75.85 -40.1 55.37 Favored 'General case' 0 CA--C 1.521 -0.166 0 C-N-CA 123.857 0.863 . . . . 0.0 110.996 169.878 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.45 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 77.8 mt -70.35 -30.97 45.28 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 CA-C-O 121.096 0.474 . . . . 0.0 110.332 178.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.11 1.9 41.98 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.669 1.188 . . . . 0.0 110.85 173.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -87.2 3.71 45.38 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.814 1.246 . . . . 0.0 112.77 173.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.93 40.69 0.97 Allowed Glycine 0 CA--C 1.526 0.761 0 CA-C-O 119.287 -0.729 . . . . 0.0 114.916 169.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -159.76 179.9 8.43 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 118.435 1.117 . . . . 0.0 112.48 -169.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 40.2 m -107.14 -68.21 0.9 Allowed 'General case' 0 N--CA 1.456 -0.131 0 CA-C-O 118.754 -0.641 . . . . 0.0 110.504 168.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -163.99 86.68 1.2 Allowed Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 123.698 0.799 . . . . 0.0 111.11 169.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -68.81 172.47 11.64 Favored 'Trans proline' 0 N--CA 1.451 -0.995 0 C-N-CA 122.884 2.389 . . . . 0.0 113.846 176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.454 -0.267 0 C-N-CA 124.093 0.957 . . . . 0.0 112.215 175.095 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tpt . . . . . 0 N--CA 1.473 0.719 0 N-CA-C 118.523 2.786 . . . . 0.0 118.523 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -140.06 137.57 34.68 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 126.801 2.041 . . . . 0.0 107.093 163.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -113.53 129.89 68.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.483 0.713 . . . . 0.0 109.603 179.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.7 159.14 25.96 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 126.269 1.828 . . . . 0.0 110.276 -174.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.8 m -143.57 110.33 5.58 Favored 'General case' 0 N--CA 1.456 -0.132 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 167.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.423 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.1 mmp_? -133.57 141.06 47.52 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.202 1.001 . . . . 0.0 110.279 -168.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . 0.409 ' HE3' ' OE1' ' F' ' 29' ' ' GLN . 9.5 ptpp? -94.52 167.46 11.48 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 178.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.3 m -56.79 136.36 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 115.685 -0.688 . . . . 0.0 112.225 -175.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.51 -5.51 83.8 Favored Glycine 0 CA--C 1.527 0.813 0 CA-C-O 119.124 -0.82 . . . . 0.0 114.307 -177.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -89.88 170.52 10.32 Favored 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 118.88 1.34 . . . . 0.0 111.71 175.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.1 m -137.75 162.88 32.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-O 121.591 0.71 . . . . 0.0 112.781 -169.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.423 HD11 ' HG3' ' E' ' 6' ' ' ARG . 28.5 mt -151.92 156.68 5.72 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.147 0 C-N-CA 126.807 2.043 . . . . 0.0 108.285 -168.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -141.18 152.97 45.08 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -173.805 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 32.6 mt -137.4 137.54 45.88 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.908 1.283 . . . . 0.0 108.883 178.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.46 -137.61 48.8 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.796 -0.521 . . . . 0.0 111.796 -177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -124.68 10.04 8.37 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 124.334 1.054 . . . . 0.0 111.473 175.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -138.56 -8.0 1.47 Allowed 'General case' 0 N--CA 1.456 -0.169 0 N-CA-C 113.365 0.876 . . . . 0.0 113.365 -170.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.54 136.21 55.43 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.911 0.778 . . . . 0.0 110.726 -173.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 39.8 m -130.29 143.84 51.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.472 1.109 . . . . 0.0 110.151 179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -125.95 138.22 55.23 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.275 1.43 . . . . 0.0 108.328 177.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 78.4 m -135.16 129.47 33.87 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.05 0.54 . . . . 0.0 109.873 174.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -79.1 111.13 15.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 170.035 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 11.8 mt -77.92 -32.39 51.66 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.023 0.529 . . . . 0.0 110.369 -179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.05 -171.3 35.01 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 123.592 0.615 . . . . 0.0 113.399 169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.3 m -123.05 159.68 26.7 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.081 0 C-N-CA 123.873 0.869 . . . . 0.0 112.111 -178.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.5 m -147.14 89.84 1.84 Allowed 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 125.132 1.373 . . . . 0.0 109.012 169.408 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.19 -113.32 4.85 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 111.39 -0.684 . . . . 0.0 111.39 -173.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -91.4 -20.52 21.71 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 117.466 0.633 . . . . 0.0 111.786 175.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -71.67 136.3 47.23 Favored 'General case' 0 N--CA 1.45 -0.461 0 C-N-CA 123.552 0.741 . . . . 0.0 109.534 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.7 t -126.63 117.98 49.62 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 107.279 -1.378 . . . . 0.0 107.279 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 16.8 tpt180 -95.04 107.63 19.68 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.416 1.486 . . . . 0.0 107.372 -171.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -119.9 135.98 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.847 0.859 . . . . 0.0 110.959 -167.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.86 142.17 15.81 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 124.227 0.918 . . . . 0.0 111.689 169.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 48.9 mt -132.4 132.57 60.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.565 1.546 . . . . 0.0 108.626 -179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 45.6 t-20 -134.67 101.47 4.95 Favored 'General case' 0 N--CA 1.449 -0.507 0 N-CA-C 109.748 -0.464 . . . . 0.0 109.748 -172.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.44 155.25 77.17 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.682 1.193 . . . . 0.0 110.515 178.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -61.87 157.03 45.35 Favored 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.87 2.38 . . . . 0.0 112.149 172.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.11 -0.93 10.73 Favored 'General case' 0 N--CA 1.457 -0.09 0 N-CA-C 112.64 0.608 . . . . 0.0 112.64 172.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -65.91 -23.32 66.6 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 124.453 1.101 . . . . 0.0 111.702 169.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 m -121.01 157.63 24.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 124.153 0.981 . . . . 0.0 110.527 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.49 157.93 16.29 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.871 174.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . 0.429 HG13 HD12 ' F' ' 2' ' ' LEU . 0.4 OUTLIER -155.03 127.41 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 122.99 0.516 . . . . 0.0 110.345 169.529 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -150.11 169.38 21.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.63 1.172 . . . . 0.0 109.258 175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . 0.429 ' HA ' ' HA ' ' F' ' 12' ' ' ILE . 27.0 ptt-85 -81.59 165.8 20.78 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 121.654 -0.654 . . . . 0.0 110.731 170.203 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -61.39 -28.21 69.08 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -169.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -58.44 -45.07 89.24 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.332 1.053 . . . . 0.0 111.94 173.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 17.8 mm -84.58 -34.61 9.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 123.73 0.812 . . . . 0.0 109.768 -174.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 65.5 t80 -53.21 -30.96 40.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.305 1.042 . . . . 0.0 112.867 -179.22 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 66.0 mt-30 -59.72 -21.83 61.19 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.992 1.317 . . . . 0.0 113.089 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -77.03 -52.58 9.09 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.367 0.667 . . . . 0.0 111.643 170.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 1.1 mp -45.49 -63.02 0.3 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 127.367 2.267 . . . . 0.0 113.719 -168.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . 0.428 ' NE2' ' H ' ' E' ' 52' ' ' GLN . 0.0 OUTLIER -79.36 2.91 19.88 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.097 0.959 . . . . 0.0 113.206 -170.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.54 -5.71 51.07 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.279 0.632 . . . . 0.0 112.613 174.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.74 24.38 0.6 Allowed Glycine 0 CA--C 1.526 0.743 0 C-N-CA 124.01 0.814 . . . . 0.0 113.267 175.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 44.3 mt -99.52 -141.32 0.32 Allowed 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.93 0.892 . . . . 0.0 110.052 -177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 20.4 p 54.81 6.71 0.13 Allowed 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 127.551 2.34 . . . . 0.0 114.736 -169.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.9 134.41 10.88 Favored Pre-proline 0 N--CA 1.45 -0.443 0 C-N-CA 125.588 1.555 . . . . 0.0 108.381 169.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -63.78 174.41 3.79 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.557 2.171 . . . . 0.0 113.913 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.455 -0.22 0 C-N-CA 124.533 1.133 . . . . 0.0 112.769 177.026 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.78 0 N-CA-C 110.445 -0.206 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . 0.429 HD12 HG13 ' E' ' 42' ' ' VAL . 7.1 mt -96.77 150.38 20.78 Favored 'General case' 0 N--CA 1.452 -0.358 0 C-N-CA 122.775 0.43 . . . . 0.0 111.4 172.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -130.25 137.98 55.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 171.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 73.9 mt -131.79 159.94 37.04 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 124.526 1.13 . . . . 0.0 110.261 178.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -121.79 96.96 5.27 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 169.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 4.3 tpm_? -106.54 131.6 53.52 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 125.952 1.701 . . . . 0.0 109.428 -174.065 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 48.4 pttt -98.21 167.77 10.66 Favored 'General case' 0 CA--C 1.523 -0.069 0 CA-C-N 120.364 1.438 . . . . 0.0 113.072 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 5.1 m -55.99 135.79 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 112.987 -171.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.71 -6.64 77.26 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 124.305 0.955 . . . . 0.0 113.764 178.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -95.54 174.64 6.9 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 118.477 1.138 . . . . 0.0 111.948 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.4 m -136.33 159.57 41.36 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 113.319 0.859 . . . . 0.0 113.319 -170.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.429 ' HA ' ' HA ' ' E' ' 44' ' ' ARG . 61.1 mt -137.73 157.48 33.23 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.165 0 C-N-CA 126.416 1.886 . . . . 0.0 108.536 178.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.9 m120 -133.21 148.15 52.02 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.641 0.776 . . . . 0.0 112.311 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.83 139.56 45.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.347 1.059 . . . . 0.0 109.062 177.495 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.14 -134.73 52.3 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.261 -0.736 . . . . 0.0 111.261 -174.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -128.26 10.08 6.25 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.135 0.974 . . . . 0.0 112.366 172.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -129.32 -15.76 4.06 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.631 0.975 . . . . 0.0 113.631 -178.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -106.85 136.34 42.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 CA-C-N 119.089 0.859 . . . . 0.0 110.746 -172.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 41.8 m -132.49 141.48 48.8 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.449 1.1 . . . . 0.0 110.09 177.525 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -122.29 143.05 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.331 0 C-N-CA 125.404 1.482 . . . . 0.0 108.376 177.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.2 m -136.38 129.8 31.81 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.244 0.617 . . . . 0.0 110.05 177.476 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . 0.41 HG22 ' H ' ' F' ' 22' ' ' ILE . 1.7 tp -85.87 107.52 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 172.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.6 mt -79.18 -29.23 42.83 Favored 'General case' 0 N--CA 1.455 -0.192 0 O-C-N 121.801 -0.562 . . . . 0.0 111.418 -171.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.71 -173.8 35.72 Favored Glycine 0 CA--C 1.524 0.614 0 C-N-CA 123.0 0.334 . . . . 0.0 113.431 174.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -128.2 156.28 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 123.279 0.632 . . . . 0.0 111.679 176.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 32.0 t -150.07 106.72 3.52 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.379 1.072 . . . . 0.0 108.766 168.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.5 -117.7 7.92 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.643 -0.583 . . . . 0.0 111.643 -174.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 20.4 mm100 -96.31 -13.81 23.04 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 117.294 0.547 . . . . 0.0 111.51 171.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . 0.409 ' OE1' ' HE3' ' E' ' 7' ' ' LYS . 3.5 mp0 -76.54 144.89 39.42 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.762 0.792 . . . . 0.0 109.869 -178.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.7 t -131.14 115.65 30.38 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.458 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -175.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 49.1 ttt180 -87.08 130.12 34.63 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.861 0.864 . . . . 0.0 108.943 -178.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -135.22 143.76 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 123.366 0.666 . . . . 0.0 110.787 -167.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.4 137.16 13.82 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.659 -0.976 . . . . 0.0 110.659 171.069 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -125.39 134.85 65.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.259 1.024 . . . . 0.0 108.77 -178.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.4 t30 -136.58 102.62 4.98 Favored 'General case' 0 N--CA 1.449 -0.486 0 C-N-CA 123.023 0.529 . . . . 0.0 110.098 -175.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.47 159.24 73.34 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.102 0.961 . . . . 0.0 111.157 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.3 Cg_endo -63.81 162.76 27.34 Favored 'Trans proline' 0 N--CA 1.45 -1.065 0 C-N-CA 122.855 2.37 . . . . 0.0 112.106 173.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -66.43 -7.52 19.95 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.755 0.822 . . . . 0.0 112.783 169.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -64.9 -22.06 66.93 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 125.565 1.546 . . . . 0.0 112.342 174.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -128.01 161.78 35.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.046 0.938 . . . . 0.0 111.125 -175.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.89 163.67 13.94 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.132 0.573 . . . . 0.0 111.485 170.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.0 120.49 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.52 0.728 . . . . 0.0 110.113 176.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.8 m-70 -153.61 173.99 15.05 Favored 'General case' 0 N--CA 1.457 -0.079 0 C-N-CA 123.905 0.882 . . . . 0.0 110.441 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.71 159.68 28.95 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 167.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -65.63 -20.91 66.49 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -169.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -57.64 -43.37 84.83 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.693 0.797 . . . . 0.0 111.717 171.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 17.3 mm -86.63 -30.8 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 123.547 0.739 . . . . 0.0 109.638 -174.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . 0.503 ' HA ' HG12 ' F' ' 51' ' ' ILE . 73.6 t80 -53.63 -34.81 59.81 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.842 0.857 . . . . 0.0 112.814 176.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -66.75 -21.88 66.05 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 123.545 0.738 . . . . 0.0 112.403 -179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -84.75 -25.13 28.48 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.329 0.652 . . . . 0.0 111.045 173.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.503 HG12 ' HA ' ' F' ' 48' ' ' TYR . 4.7 mm -66.34 -55.02 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 123.617 0.767 . . . . 0.0 109.556 171.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 76.7 mm-40 -76.67 3.1 12.34 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.866 0.866 . . . . 0.0 112.514 -170.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.09 -12.14 59.11 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.493 1.117 . . . . 0.0 113.399 170.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 140.77 31.27 0.16 Allowed Glycine 0 CA--C 1.524 0.656 0 CA-C-O 119.673 -0.515 . . . . 0.0 113.92 169.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.9 pp -156.89 -174.17 4.8 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.985 0.914 . . . . 0.0 111.031 -169.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 6.9 m -126.42 -35.55 2.37 Favored 'General case' 0 N--CA 1.458 -0.066 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 170.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . 0.684 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -151.81 -29.64 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.365 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -169.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . 0.684 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 40.7 Cg_exo -71.39 177.29 6.87 Favored 'Trans proline' 0 N--CA 1.453 -0.882 0 CA-C-N 121.195 1.462 . . . . 0.0 113.873 -176.16 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.4 t70 . . . . . 0 N--CA 1.453 -0.291 0 C-N-CA 124.599 1.16 . . . . 0.0 112.67 -178.745 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.808 3.608 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 O4'-C1'-N19 111.53 3.33 . 0.365 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 1 O4'-C1'-N19 112.611 4.411 . 0.601 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 O4'-C1'-N19 111.913 3.713 . 0.126 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.025 0 O4'-C1'-N19 111.554 3.354 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-O4' 114.827 4.019 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 1 O4'-C1'-N19 112.207 4.007 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C3'-C2'-C1' 104.062 2.847 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.382 0 O5'-C5'-C4' 113.878 2.627 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 C3'-C2'-C1' 104.633 3.481 . 0.045 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.659 3.459 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C3'-C2'-C1' 103.656 2.395 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 C5'-C4'-C3' 110.752 -3.166 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 O4'-C1'-N19 110.555 2.355 . 0.896 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 111.815 3.615 . 0.832 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 N19-C1'-C2' 108.487 -3.071 . 0.528 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.312 1 O4'-C1'-N19 112.319 4.119 . 0.173 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 C5'-C4'-C3' 110.488 -3.341 . 0.279 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 110.633 2.433 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.8 3.6 . 0.685 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.244 1 O4'-C1'-N19 112.496 4.296 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 O4'-C1'-N19 110.624 2.424 . 0.087 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 1 O4'-C1'-N19 112.768 4.568 . 0.678 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 O4'-C1'-N19 112.152 3.952 . 0.413 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 N19-C1'-C2' 109.005 -2.747 . 0.79 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.884 0 O4'-C1'-N19 111.118 2.918 . 0.475 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.461 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 C5'-C4'-C3' 111.906 -2.396 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C5'-C4'-C3' 112.637 -1.908 . 0.033 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 C5'-C4'-C3' 111.119 -2.921 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 1 C5'-C4'-C3' 109.462 -4.025 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 1 P-O3'-C3' 125.192 4.577 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.063 2.863 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.397 4.197 . 0.835 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 99.153 -3.547 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 99.639 -3.061 . 0.223 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.499 3.299 . 0.689 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.243 0 P-O3'-C3' 122.403 2.252 . 0.049 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-C3' 109.955 -3.697 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.326 0 C3'-C2'-C1' 104.19 2.989 . 0.228 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 O4'-C1'-N19 112.461 4.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 1 C5'-C4'-C3' 109.088 -4.274 . 0.028 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 1 C3'-C2'-C1' 106.096 5.106 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 O4'-C1'-N19 110.858 2.658 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 1 O4'-C1'-N19 112.273 4.073 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.702 4.502 . 0.36 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 0 O4'-C1'-N19 111.119 2.919 . 0.483 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 1 O4'-C1'-N19 112.317 4.117 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 C4'-C3'-O3' 120.331 3.743 OUTLIER-EPSILON 0.625 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . 0.42 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.21 1 P-O3'-C3' 126.943 6.036 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 O4'-C1'-N19 111.133 2.933 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . 0.401 " H2'" H5'' ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.323 0 C5'-C4'-C3' 111.195 -2.87 . 0.38 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.478 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.261 3 C5'-C4'-C3' 107.614 -5.257 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . 0.401 H5'' " H2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.014 1 P-O3'-C3' 126.739 5.866 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 1 O4'-C1'-N19 112.207 4.007 . 0.474 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 C4'-C3'-C2' 100.093 -2.607 . 0.583 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 O4'-C1'-N19 111.184 2.984 . 0.55 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.342 0 C3'-C2'-C1' 104.969 3.854 . 0.246 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.874 3.674 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 O4'-C1'-N19 111.996 3.796 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.319 3.119 . 0.276 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.042 0 O4'-C1'-N19 111.658 3.458 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 O4'-C1'-N19 111.743 3.543 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C3'-C2'-C1' 103.87 2.633 . 0.237 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 98.957 -3.743 . 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 C3'-C2'-C1' 103.979 2.754 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 0 C5'-C4'-C3' 109.863 -3.758 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 2 C5'-C4'-C3' 105.609 -6.594 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.259 1 P-O3'-C3' 125.641 4.95 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 O4'-C1'-N19 111.175 2.975 . 0.823 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.703 4.503 . 0.419 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.016 2.816 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 110.69 2.49 . 0.435 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 ttp . . . . . 0 N--CA 1.475 0.778 0 N-CA-C 109.681 -0.489 . . . . 0.0 109.681 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.73 115.68 30.06 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.729 0.811 . . . . 0.0 110.061 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.64 134.92 38.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.601 0.76 . . . . 0.0 109.771 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.8 mt -134.99 158.75 43.53 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.841 1.256 . . . . 0.0 110.034 177.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 90.8 m -127.98 119.27 25.14 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.681 0.792 . . . . 0.0 110.258 -174.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mmp_? -131.22 138.45 49.37 Favored 'General case' 0 N--CA 1.457 -0.079 0 CA-C-N 118.701 0.682 . . . . 0.0 111.459 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.2 159.43 20.11 Favored 'General case' 0 CA--C 1.523 -0.085 0 CA-C-N 118.791 0.723 . . . . 0.0 110.106 168.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.428 HG13 ' HA2' ' A' ' 24' ' ' GLY . 67.5 t -41.07 128.26 0.59 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.561 0.745 . . . . 0.0 110.916 169.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.63 -5.0 61.99 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.162 0.887 . . . . 0.0 114.543 175.544 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 62.7 mt-10 -96.63 167.4 11.15 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.885 1.342 . . . . 0.0 111.89 178.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.9 m -136.85 147.28 46.43 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -168.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 25.5 mm -112.09 154.39 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 125.434 1.494 . . . . 0.0 110.057 169.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -125.48 133.41 52.41 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.365 1.066 . . . . 0.0 110.438 177.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.5 mm -121.96 126.51 74.59 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.877 1.271 . . . . 0.0 109.413 -176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.86 -126.9 30.04 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -127.95 -0.24 5.94 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.874 0.87 . . . . 0.0 112.176 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -133.68 -17.52 2.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 113.978 1.103 . . . . 0.0 113.978 -169.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -110.89 133.83 55.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.135 0.88 . . . . 0.0 110.453 -173.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -128.14 144.38 51.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.729 0.812 . . . . 0.0 109.713 173.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.82 139.57 51.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.864 1.266 . . . . 0.0 108.399 -175.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 35.5 m -135.51 132.15 36.94 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 118.417 0.553 . . . . 0.0 110.389 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -80.75 95.6 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 mt -68.02 -31.48 71.18 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 -174.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.428 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 170.97 -170.14 43.0 Favored Glycine 0 CA--C 1.524 0.611 0 C-N-CA 123.153 0.406 . . . . 0.0 112.721 169.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.3 m -132.38 159.27 43.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.513 0.725 . . . . 0.0 111.666 -177.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -137.97 72.62 1.42 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.726 1.21 . . . . 0.0 109.369 175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -118.08 7.82 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -79.77 -2.77 44.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.704 0.801 . . . . 0.0 111.979 176.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -98.92 154.64 17.9 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.913 0.863 . . . . 0.0 111.858 170.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 88.2 t -140.96 117.97 8.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 126.045 1.738 . . . . 0.0 108.264 -168.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 30.1 ttm105 -105.32 101.9 11.41 Favored 'General case' 0 N--CA 1.454 -0.261 0 CA-C-O 121.53 0.681 . . . . 0.0 110.542 -170.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.6 mt -107.37 134.42 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 125.059 1.344 . . . . 0.0 109.655 -171.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.52 137.72 13.75 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 169.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -110.06 133.34 55.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 125.186 1.394 . . . . 0.0 108.251 175.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -119.55 75.49 1.07 Allowed 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.736 1.214 . . . . 0.0 109.184 176.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -111.46 153.23 44.25 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.321 1.448 . . . . 0.0 110.559 175.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -71.79 153.32 58.97 Favored 'Trans proline' 0 N--CA 1.45 -1.033 0 C-N-CA 122.428 2.086 . . . . 0.0 110.515 176.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.3 mtpt -66.85 -6.85 17.9 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.717 0.636 . . . . 0.0 112.717 -178.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -67.72 -25.73 65.8 Favored 'General case' 0 N--CA 1.453 -0.314 0 C-N-CA 123.97 0.908 . . . . 0.0 112.229 170.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -116.4 144.02 25.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 CA-C-O 121.847 0.832 . . . . 0.0 111.88 175.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.56 143.07 40.55 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.406 1.082 . . . . 0.0 111.407 -177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.8 t -129.27 121.04 52.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.513 0.725 . . . . 0.0 109.606 170.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.5 m-70 -149.49 169.23 21.37 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.666 0.786 . . . . 0.0 111.151 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -104.19 164.38 11.76 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 122.401 0.281 . . . . 0.0 111.634 169.124 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.19 -23.98 66.55 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 112.956 0.725 . . . . 0.0 112.956 -173.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -61.6 -23.95 66.35 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.914 0.886 . . . . 0.0 112.014 172.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -119.31 -28.94 1.9 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.629 1.172 . . . . 0.0 110.833 -169.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.35 -33.1 74.79 Favored 'General case' 0 N--CA 1.451 -0.393 0 O-C-N 121.385 -0.822 . . . . 0.0 110.441 -178.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -75.05 -15.82 60.61 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 123.496 0.718 . . . . 0.0 111.657 178.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.81 -39.22 36.28 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.024 0.93 . . . . 0.0 110.731 169.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.577 HG22 HE21 ' A' ' 52' ' ' GLN . 69.6 mt -60.88 -50.97 78.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 123.714 0.806 . . . . 0.0 109.34 174.751 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.577 HE21 HG22 ' A' ' 51' ' ' ILE . 80.7 mm-40 -84.02 5.03 27.31 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 -175.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.94 -21.16 66.35 Favored 'General case' 0 N--CA 1.451 -0.386 0 O-C-N 122.243 -0.285 . . . . 0.0 111.405 169.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.41 -4.23 4.06 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.371 0.986 . . . . 0.0 113.237 172.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.5 pp -86.76 90.62 8.35 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 122.694 1.235 . . . . 0.0 111.142 -172.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 16.9 p -160.64 -32.12 0.05 Allowed 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 114.476 -1.238 . . . . 0.0 109.985 177.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -56.5 152.81 23.13 Favored Pre-proline 0 N--CA 1.451 -0.384 0 C-N-CA 124.967 1.307 . . . . 0.0 112.025 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -67.85 158.82 55.59 Favored 'Trans proline' 0 N--CA 1.451 -0.99 0 C-N-CA 123.13 2.553 . . . . 0.0 111.885 178.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 N--CA 1.451 -0.416 0 CA-C-N 114.637 -1.165 . . . . 0.0 111.488 173.485 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.6 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.416 -0.325 . . . . 0.0 110.739 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -110.77 121.64 45.83 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 168.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 59.0 mt -117.19 138.97 46.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 122.639 0.375 . . . . 0.0 111.875 -165.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.8 mt -135.55 126.61 27.9 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 124.37 1.068 . . . . 0.0 110.688 -175.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.433 ' HB ' ' H41' ' G' ' 47' ' ' ' C' . 30.4 m -87.38 102.09 14.19 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 107.951 -1.129 . . . . 0.0 107.951 169.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -95.9 167.44 11.24 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 125.201 1.401 . . . . 0.0 109.609 -176.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 42.5 pttt -132.08 162.38 30.95 Favored 'General case' 0 CA--C 1.518 -0.268 0 CA-C-N 118.513 0.597 . . . . 0.0 110.954 167.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -62.84 129.5 26.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 119.962 -0.695 . . . . 0.0 111.035 -169.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.22 -5.0 71.21 Favored Glycine 0 CA--C 1.526 0.741 0 CA-C-O 118.985 -0.897 . . . . 0.0 114.763 -177.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -85.01 169.48 13.94 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-N 119.126 1.463 . . . . 0.0 111.183 169.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 13.2 m -135.81 157.41 46.93 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.322 0.649 . . . . 0.0 112.215 -173.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.428 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 24.2 mt -129.0 153.71 38.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.157 1.783 . . . . 0.0 109.612 -178.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -134.1 135.71 43.4 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.859 0.864 . . . . 0.0 110.393 -174.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.1 mt -131.61 128.96 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.853 0.861 . . . . 0.0 109.703 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.05 -133.31 52.74 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 -172.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -129.23 4.98 5.25 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.646 0.778 . . . . 0.0 112.866 172.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -111.29 -19.09 12.77 Favored 'General case' 0 N--CA 1.456 -0.134 0 N-CA-C 113.24 0.83 . . . . 0.0 113.24 178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.04 135.68 56.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 119.067 0.849 . . . . 0.0 111.269 -169.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.41 148.77 52.69 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.726 1.21 . . . . 0.0 109.569 169.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -128.69 144.89 36.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 125.82 1.648 . . . . 0.0 107.87 -177.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 9.2 m -135.5 128.85 32.15 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.825 0.45 . . . . 0.0 109.979 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -86.19 94.55 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 32.3 mt -67.23 -32.6 73.74 Favored 'General case' 0 N--CA 1.453 -0.297 0 O-C-N 122.09 -0.381 . . . . 0.0 111.268 -173.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.95 -179.06 36.66 Favored Glycine 0 C--N 1.335 0.518 0 CA-C-O 120.811 0.117 . . . . 0.0 112.897 171.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.79 151.94 11.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 CA-C-O 121.484 0.659 . . . . 0.0 110.732 177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 12.9 t -130.06 71.84 1.46 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 125.468 1.507 . . . . 0.0 107.657 177.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.88 -119.81 5.16 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 110.344 -1.102 . . . . 0.0 110.344 -170.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.46 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -101.1 11.76 38.9 Favored 'General case' 0 N--CA 1.455 -0.213 0 O-C-N 122.098 -0.648 . . . . 0.0 111.502 173.877 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.96 153.68 18.65 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.827 1.251 . . . . 0.0 108.959 169.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 31.5 t -137.79 119.06 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.043 0.537 . . . . 0.0 109.927 -166.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -88.88 120.31 30.17 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 125.008 1.323 . . . . 0.0 109.69 178.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.17 129.61 67.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.243 1.017 . . . . 0.0 109.671 -170.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.18 141.26 15.49 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 171.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 56.7 mt -125.39 130.45 72.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 C-N-CA 123.841 0.856 . . . . 0.0 109.259 178.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -130.27 77.68 1.8 Allowed 'General case' 0 N--CA 1.449 -0.495 0 CA-C-N 114.618 -1.173 . . . . 0.0 109.39 -168.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.99 158.28 66.49 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 114.024 -1.444 . . . . 0.0 109.726 176.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_endo -63.38 155.42 62.29 Favored 'Trans proline' 0 N--CA 1.448 -1.189 0 C-N-CA 121.919 1.746 . . . . 0.0 110.832 168.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mtpm? -68.5 -0.59 5.21 Favored 'General case' 0 C--N 1.334 -0.077 0 C-N-CA 124.49 1.116 . . . . 0.0 113.189 169.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.82 -23.08 66.61 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 114.152 -1.386 . . . . 0.0 110.666 169.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.7 m -113.86 144.11 22.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 124.713 1.205 . . . . 0.0 109.804 173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.52 143.0 27.93 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.297 0.57 . . . . 0.0 111.116 170.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.1 t -142.43 96.54 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-N 115.129 -0.941 . . . . 0.0 109.73 -166.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.491 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.1 OUTLIER -146.91 161.61 40.38 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 123.381 0.672 . . . . 0.0 111.735 178.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 11.9 ptt180 -65.07 157.15 29.27 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.548 0.739 . . . . 0.0 111.395 169.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -56.58 -40.93 76.09 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.334 0.654 . . . . 0.0 112.396 -173.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 9.7 pm0 -69.11 -4.36 17.0 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 10.6 mm -104.02 -50.65 9.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.019 0.928 . . . . 0.0 109.925 169.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 84.6 t80 -50.26 -37.1 34.16 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 124.873 1.269 . . . . 0.0 112.107 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -69.86 -22.24 63.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -175.286 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -78.2 -41.5 34.28 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 119.034 0.834 . . . . 0.0 110.375 169.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.501 HG22 ' NE2' ' B' ' 52' ' ' GLN . 98.6 mt -64.9 -38.67 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.334 0.654 . . . . 0.0 109.403 -174.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.501 ' NE2' HG22 ' B' ' 51' ' ' ILE . 29.0 mm-40 -80.7 5.0 16.95 Favored 'General case' 0 N--CA 1.453 -0.305 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 173.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.68 -19.9 37.23 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.335 0.654 . . . . 0.0 111.779 169.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.95 47.64 0.07 OUTLIER Glycine 0 CA--C 1.525 0.683 0 CA-C-O 119.49 -0.617 . . . . 0.0 114.446 169.072 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.435 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.3 pp -168.98 -176.57 2.68 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 117.818 0.809 . . . . 0.0 112.706 -168.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 41.6 p -126.9 -177.34 3.99 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.404 1.481 . . . . 0.0 109.537 167.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.99 121.48 2.41 Favored Pre-proline 0 N--CA 1.454 -0.25 0 C-N-CA 124.276 1.031 . . . . 0.0 111.561 178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -65.5 171.49 9.34 Favored 'Trans proline' 0 N--CA 1.451 -1.02 0 C-N-CA 122.028 1.819 . . . . 0.0 114.621 -169.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.451 -0.391 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.695 -176.314 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpp . . . . . 0 N--CA 1.475 0.783 0 N-CA-C 107.523 -1.288 . . . . 0.0 107.523 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -105.88 110.75 23.15 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 173.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.79 133.14 29.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.458 0.703 . . . . 0.0 109.511 176.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.5 mt -126.68 140.14 52.63 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.919 0.888 . . . . 0.0 110.181 169.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 31.2 p -107.16 132.83 52.6 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.713 0.805 . . . . 0.0 111.044 174.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.13 143.38 29.29 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.065 0.546 . . . . 0.0 111.276 -175.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.7 mmmm -82.8 166.22 19.2 Favored 'General case' 0 N--CA 1.457 -0.114 0 C-N-CA 123.857 0.863 . . . . 0.0 109.617 179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 13.6 m -60.81 142.45 15.89 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 O-C-N 121.371 -0.831 . . . . 0.0 111.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.03 -2.99 82.42 Favored Glycine 0 CA--C 1.529 0.961 0 C-N-CA 124.933 1.254 . . . . 0.0 114.695 -175.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -83.39 -177.76 6.84 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 119.527 1.664 . . . . 0.0 112.611 -178.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 65.9 m -141.04 146.68 37.52 Favored 'General case' 0 CA--C 1.528 0.123 0 C-N-CA 124.56 1.144 . . . . 0.0 112.472 -167.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -139.53 145.56 26.78 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 C-N-CA 125.868 1.667 . . . . 0.0 108.902 -175.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -122.52 142.72 50.29 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.835 0.854 . . . . 0.0 111.667 -175.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.0 mt -135.04 137.88 49.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 124.708 1.203 . . . . 0.0 109.415 177.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.33 -132.93 49.46 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -170.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -129.63 10.04 5.56 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.696 0.798 . . . . 0.0 111.257 169.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -128.5 -7.82 5.18 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.527 1.131 . . . . 0.0 112.733 -171.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -123.21 134.48 66.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.678 0.791 . . . . 0.0 110.471 -174.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 26.4 m -129.68 136.43 49.7 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.219 1.008 . . . . 0.0 109.386 174.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.4 mm -114.3 136.51 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 124.109 0.964 . . . . 0.0 108.557 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.7 m -121.51 136.8 54.93 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.122 0.969 . . . . 0.0 109.984 -177.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -96.09 118.64 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 169.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.547 HD13 " H1'" ' G' ' 67' ' ' ' C' . 7.3 mt -91.1 -38.55 12.69 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 109.489 -0.56 . . . . 0.0 109.489 -176.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.99 -174.77 42.3 Favored Glycine 0 C--N 1.338 0.675 0 C-N-CA 120.722 -0.751 . . . . 0.0 114.142 168.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -121.98 146.83 26.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 123.384 0.674 . . . . 0.0 111.145 176.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 58.7 m -143.43 111.16 5.96 Favored 'General case' 0 N--CA 1.453 -0.279 0 N-CA-C 106.659 -1.608 . . . . 0.0 106.659 169.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -142.07 29.72 Favored Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.474 -0.87 . . . . 0.0 112.137 -169.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.46 3.52 39.87 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.318 1.047 . . . . 0.0 110.779 168.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -91.18 139.31 30.87 Favored 'General case' 0 N--CA 1.447 -0.607 0 C-N-CA 125.895 1.678 . . . . 0.0 110.347 -176.501 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -130.8 113.66 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.417 0 N-CA-C 107.67 -1.233 . . . . 0.0 107.67 -170.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -79.73 111.1 15.7 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.695 0.679 . . . . 0.0 109.212 173.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -113.46 132.82 61.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.433 1.493 . . . . 0.0 109.146 -179.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.51 145.09 16.7 Favored Glycine 0 CA--C 1.524 0.644 0 C-N-CA 124.353 0.977 . . . . 0.0 111.722 170.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.7 mt -128.18 121.04 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.537 1.135 . . . . 0.0 108.716 -179.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -115.71 102.45 9.74 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.554 0.742 . . . . 0.0 109.619 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.68 155.26 63.44 Favored Pre-proline 0 N--CA 1.452 -0.371 0 C-N-CA 124.118 0.967 . . . . 0.0 109.846 178.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -62.34 154.11 65.95 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.766 2.311 . . . . 0.0 111.363 172.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.7 mmmm -66.04 -0.98 2.69 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 171.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -65.96 -22.06 66.46 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.39 0.676 . . . . 0.0 111.439 169.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -123.11 146.84 27.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.068 0.947 . . . . 0.0 110.641 175.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.9 153.77 22.66 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 122.776 0.431 . . . . 0.0 110.952 173.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.5 m -136.65 131.73 47.71 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.109 0.564 . . . . 0.0 109.967 171.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 88.2 m-70 -156.6 164.63 37.97 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 112.681 0.622 . . . . 0.0 112.681 -178.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -75.71 157.65 33.32 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 165.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -59.32 -32.92 70.51 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -170.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -56.75 -44.27 81.58 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.767 0.827 . . . . 0.0 111.712 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 35.3 mm -91.26 -29.0 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 123.359 0.664 . . . . 0.0 110.793 -171.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -51.52 -36.32 44.26 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.601 0.76 . . . . 0.0 112.363 175.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -60.69 -29.67 69.46 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.503 0.721 . . . . 0.0 112.395 -179.241 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 75.4 ttt180 -69.95 -38.35 76.12 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.207 0.603 . . . . 0.0 111.565 174.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.8 mp -67.95 -20.7 26.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 O-C-N 122.106 -0.371 . . . . 0.0 110.041 179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 87.7 mm-40 -96.03 2.14 53.14 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.612 1.165 . . . . 0.0 113.145 175.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.97 4.0 4.71 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 114.173 1.175 . . . . 0.0 114.173 -171.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.01 22.27 3.28 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 124.047 0.832 . . . . 0.0 113.043 177.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 42.1 mt -73.72 145.89 44.84 Favored 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 117.644 0.722 . . . . 0.0 111.025 -179.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 73.8 p -92.21 -7.36 48.47 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.364 0.666 . . . . 0.0 112.173 170.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -148.25 130.74 7.77 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.787 1.235 . . . . 0.0 109.765 173.062 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -61.83 -43.05 27.62 Favored 'Trans proline' 0 N--CA 1.453 -0.853 0 C-N-CA 122.749 2.299 . . . . 0.0 112.966 177.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 38.1 t70 . . . . . 0 N--CA 1.454 -0.265 0 C-N-CA 124.274 1.03 . . . . 0.0 110.975 -172.81 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.446 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.6 tpp . . . . . 0 N--CA 1.475 0.799 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -112.69 112.26 23.64 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 125.655 1.582 . . . . 0.0 109.271 170.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.446 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.8 mp -103.97 139.45 24.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.028 1.331 . . . . 0.0 109.495 -177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -154.19 154.91 34.34 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.839 0.856 . . . . 0.0 110.96 173.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.3 p -84.33 146.84 27.51 Favored 'General case' 0 N--CA 1.454 -0.263 0 O-C-N 122.089 -0.382 . . . . 0.0 110.863 172.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.402 ' NE ' ' HA ' ' D' ' 6' ' ' ARG . 0.9 OUTLIER -136.93 133.6 35.87 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.536 0.735 . . . . 0.0 110.305 173.472 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.0 mmtp -82.53 155.96 24.26 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 118.032 0.378 . . . . 0.0 110.545 169.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.597 HG11 HG12 ' D' ' 25' ' ' VAL . 27.1 m -50.52 136.99 8.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.614 170.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.02 -6.82 82.99 Favored Glycine 0 CA--C 1.527 0.807 0 C-N-CA 124.075 0.845 . . . . 0.0 114.311 176.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -89.62 174.48 7.73 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 118.875 1.337 . . . . 0.0 111.665 175.132 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 38.4 m -134.38 159.23 41.7 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 121.606 0.717 . . . . 0.0 112.831 -172.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 47.6 mt -138.47 158.98 31.64 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 127.044 2.138 . . . . 0.0 108.398 -176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -139.03 147.84 42.61 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.989 0.915 . . . . 0.0 111.689 -174.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 55.7 mt -136.5 134.01 49.27 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.636 1.174 . . . . 0.0 109.298 178.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.14 -137.46 50.31 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 -176.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -119.78 1.03 11.0 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.708 0.803 . . . . 0.0 112.342 175.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -129.62 -9.46 4.54 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 -171.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.5 134.75 57.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 CA-C-N 118.914 0.779 . . . . 0.0 110.747 -173.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -128.39 147.27 50.63 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.431 1.092 . . . . 0.0 109.91 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.3 mm -130.32 142.68 43.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.667 1.587 . . . . 0.0 108.067 -178.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 30.6 m -137.37 128.68 28.01 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 109.533 -0.543 . . . . 0.0 109.533 176.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.42 93.71 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 175.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 32.6 mt -66.48 -33.74 76.38 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.147 0.579 . . . . 0.0 110.742 -171.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.58 -178.62 43.79 Favored Glycine 0 CA--C 1.525 0.688 0 CA-C-O 121.3 0.389 . . . . 0.0 113.386 169.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.597 HG12 HG11 ' D' ' 8' ' ' VAL . 10.0 p -126.36 127.72 70.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.202 1.401 . . . . 0.0 109.285 -178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 44.4 t -130.17 84.57 2.21 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.532 1.133 . . . . 0.0 109.038 -169.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.73 -113.93 5.06 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -170.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -95.26 -8.25 36.58 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.825 0.85 . . . . 0.0 110.503 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 31.8 mt-30 -75.8 151.85 37.44 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.736 0.779 . . . . 0.0 112.065 173.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -128.79 115.6 37.68 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.542 0 CA-C-N 113.632 -1.622 . . . . 0.0 107.223 169.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 8.2 ttm-85 -94.58 111.56 23.32 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.911 1.284 . . . . 0.0 108.47 -175.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -121.98 125.21 72.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 122.969 0.508 . . . . 0.0 110.83 -168.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.35 135.97 13.42 Favored Glycine 0 CA--C 1.522 0.503 0 N-CA-C 110.508 -1.037 . . . . 0.0 110.508 169.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 65.4 mt -126.39 137.78 56.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -137.95 95.4 3.03 Favored 'General case' 0 N--CA 1.451 -0.378 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 -170.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.46 154.24 80.74 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 124.56 1.144 . . . . 0.0 109.351 178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -59.95 149.75 82.19 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.197 1.931 . . . . 0.0 110.725 170.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.07 -2.9 6.11 Favored 'General case' 0 CA--C 1.528 0.115 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -65.98 -22.45 66.47 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.802 1.241 . . . . 0.0 111.677 169.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -125.08 159.78 31.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.226 1.01 . . . . 0.0 110.669 176.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.29 157.07 16.4 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.149 0.579 . . . . 0.0 112.27 -177.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -147.51 126.79 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 O-C-N 121.756 -0.59 . . . . 0.0 110.29 168.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.7 m-70 -149.31 164.38 35.02 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.866 0.866 . . . . 0.0 110.576 173.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -75.75 157.16 33.87 Favored 'General case' 0 N--CA 1.455 -0.218 0 O-C-N 122.028 -0.42 . . . . 0.0 110.414 168.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -56.84 -36.41 69.96 Favored 'General case' 0 CA--C 1.529 0.143 0 C-N-CA 123.878 0.871 . . . . 0.0 112.284 -169.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 32.7 mm-40 -56.36 -45.96 80.22 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.495 0.718 . . . . 0.0 111.526 173.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 mm -78.88 -40.96 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.92 0.888 . . . . 0.0 110.221 -175.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 84.0 t80 -47.65 -42.53 24.73 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.047 0.939 . . . . 0.0 111.948 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -59.35 -21.38 59.73 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 124.258 1.023 . . . . 0.0 113.086 -179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 mtt85 -83.35 -33.48 25.83 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.876 1.27 . . . . 0.0 111.888 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.761 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.9 mp -72.33 -18.75 19.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.477 1.511 . . . . 0.0 108.608 169.462 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -94.86 -0.1 54.35 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.5 0.72 . . . . 0.0 112.203 168.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.05 -50.17 3.31 Favored 'General case' 0 C--N 1.339 0.147 0 C-N-CA 124.999 1.319 . . . . 0.0 112.121 -177.1 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . 0.425 ' C ' HD13 ' D' ' 55' ' ' LEU . . . -176.58 -5.75 0.02 OUTLIER Glycine 0 CA--C 1.527 0.799 0 CA-C-O 119.194 -0.781 . . . . 0.0 114.209 -173.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.425 HD13 ' C ' ' D' ' 54' ' ' GLY . 0.0 OUTLIER 72.69 147.54 0.08 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 126.773 2.029 . . . . 0.0 113.557 166.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . 0.416 ' HB ' ' N4 ' ' G' ' 7' ' ' ' C' 0.26 0.4 OUTLIER -138.88 -17.88 1.06 Allowed 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.78 1.03 . . . . 0.0 113.78 165.38 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.73 77.12 58.61 Favored Pre-proline 0 N--CA 1.452 -0.334 0 CA-C-N 117.829 0.286 . . . . 0.0 111.633 174.02 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -57.81 -48.12 18.07 Favored 'Trans proline' 0 N--CA 1.453 -0.908 0 C-N-CA 123.098 2.532 . . . . 0.0 111.996 169.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 21.7 t0 . . . . . 0 N--CA 1.453 -0.315 0 C-N-CA 123.74 0.816 . . . . 0.0 111.424 -173.317 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.8 ptm . . . . . 0 N--CA 1.475 0.812 0 N-CA-C 113.071 0.767 . . . . 0.0 113.071 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tt -102.62 143.18 32.63 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 125.941 1.696 . . . . 0.0 109.346 175.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.5 141.23 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.099 0.96 . . . . 0.0 110.119 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 98.1 mt -136.62 164.26 28.63 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 125.89 1.676 . . . . 0.0 110.779 -178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.1 m -137.95 97.19 3.36 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 168.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -111.54 144.67 40.4 Favored 'General case' 0 CA--C 1.521 -0.15 0 C-N-CA 124.853 1.261 . . . . 0.0 111.805 -171.694 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 16.1 mtmt -84.31 161.23 20.52 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.748 -179.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 20.6 m -61.17 139.59 20.18 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 CA-C-O 120.77 0.319 . . . . 0.0 111.275 177.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -4.09 86.47 Favored Glycine 0 CA--C 1.526 0.749 0 CA-C-O 119.293 -0.726 . . . . 0.0 114.089 -176.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -88.13 174.34 8.3 Favored 'General case' 0 N--CA 1.455 -0.219 0 CA-C-N 118.757 1.279 . . . . 0.0 111.908 175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -139.1 157.18 46.42 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-O 121.521 0.677 . . . . 0.0 112.24 -173.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 46.3 mt -140.57 158.05 24.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 126.73 2.012 . . . . 0.0 107.619 -176.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -136.97 152.05 49.71 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.452 -0.78 . . . . 0.0 113.035 -174.319 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 45.9 mt -137.24 137.94 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 C-N-CA 124.951 1.3 . . . . 0.0 109.048 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.27 -136.56 49.51 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.744 -0.543 . . . . 0.0 111.744 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -125.18 10.0 8.05 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.298 1.039 . . . . 0.0 111.483 175.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -139.32 -8.35 1.31 Allowed 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -117.68 135.25 58.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 CA-C-N 119.061 0.846 . . . . 0.0 110.762 -173.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 33.7 m -127.89 143.7 51.1 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.584 1.154 . . . . 0.0 110.136 178.102 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.2 mm -122.39 138.5 52.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 125.365 1.466 . . . . 0.0 108.25 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 87.3 m -133.72 126.78 31.44 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.034 0.534 . . . . 0.0 109.935 174.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -78.22 107.88 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 172.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.7 mt -74.05 -30.48 62.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 122.756 0.422 . . . . 0.0 110.429 -178.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.23 -174.34 31.2 Favored Glycine 0 CA--C 1.525 0.692 0 C-N-CA 123.545 0.593 . . . . 0.0 113.085 169.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.4 m -112.72 159.82 12.52 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 C-N-CA 123.522 0.729 . . . . 0.0 111.927 -177.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 18.8 m -146.89 89.92 1.86 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 125.075 1.35 . . . . 0.0 109.072 170.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.89 -111.32 4.04 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 111.163 -0.775 . . . . 0.0 111.163 -172.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -94.5 -19.15 20.8 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 117.386 0.593 . . . . 0.0 111.551 174.292 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.5 mm-40 -70.46 146.74 50.1 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.273 0.558 . . . . 0.0 110.395 177.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.1 t -135.76 113.69 14.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.373 0 N-CA-C 107.448 -1.315 . . . . 0.0 107.448 -176.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.0 ttt180 -88.12 124.03 33.38 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.241 -0.652 . . . . 0.0 109.241 -178.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.7 mt -132.1 129.99 60.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.441 0.696 . . . . 0.0 110.587 -168.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.18 139.43 14.68 Favored Glycine 0 CA--C 1.524 0.595 0 C-N-CA 124.183 0.897 . . . . 0.0 111.255 170.157 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.2 mt -131.74 127.64 59.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.864 1.266 . . . . 0.0 108.785 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -130.17 98.99 4.89 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 -170.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 155.06 78.61 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.647 1.179 . . . . 0.0 110.701 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 22.9 Cg_endo -62.44 157.95 43.41 Favored 'Trans proline' 0 N--CA 1.45 -1.063 0 C-N-CA 122.949 2.433 . . . . 0.0 112.007 171.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -72.15 -1.0 13.37 Favored 'General case' 0 N--CA 1.457 -0.118 0 C-N-CA 123.435 0.694 . . . . 0.0 112.592 173.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -66.59 -23.0 66.13 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.665 1.186 . . . . 0.0 111.857 169.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.4 m -122.39 160.99 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 C-N-CA 123.966 0.907 . . . . 0.0 110.838 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.01 156.11 16.45 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-N 116.02 -0.536 . . . . 0.0 112.234 177.645 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.03 125.69 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.024 0.53 . . . . 0.0 110.2 168.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -150.5 166.69 29.42 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.2 1.0 . . . . 0.0 110.165 178.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 39.4 ptt85 -79.14 162.17 25.98 Favored 'General case' 0 N--CA 1.455 -0.204 0 O-C-N 121.786 -0.571 . . . . 0.0 109.959 169.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -60.15 -21.88 62.19 Favored 'General case' 0 N--CA 1.456 -0.148 0 N-CA-C 112.84 0.682 . . . . 0.0 112.84 -169.287 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.94 -48.84 70.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.011 0.924 . . . . 0.0 111.638 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.0 -32.42 23.25 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 123.384 0.673 . . . . 0.0 109.85 -176.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -53.54 -37.82 63.22 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.415 0.686 . . . . 0.0 112.189 177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -66.89 -22.08 65.98 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 113.209 0.818 . . . . 0.0 113.209 -176.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -74.07 -23.0 59.3 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 123.537 0.735 . . . . 0.0 111.31 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 73.3 mt -95.29 -40.48 11.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.082 1.353 . . . . 0.0 109.434 -169.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -82.63 2.0 35.54 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.689 1.196 . . . . 0.0 112.333 178.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.87 -13.27 10.01 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 125.083 1.353 . . . . 0.0 113.793 175.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.25 44.09 0.24 Allowed Glycine 0 CA--C 1.524 0.63 0 C-N-CA 124.09 0.852 . . . . 0.0 112.075 175.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -149.44 -53.01 0.16 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.385 0.674 . . . . 0.0 112.248 -176.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 3.6 m 42.99 37.87 1.26 Allowed 'General case' 0 N--CA 1.457 -0.125 0 C-N-CA 125.414 1.486 . . . . 0.0 112.98 -170.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.33 126.95 2.72 Favored Pre-proline 0 N--CA 1.452 -0.347 0 C-N-CA 124.316 1.046 . . . . 0.0 109.896 175.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.21 148.68 48.66 Favored 'Trans proline' 0 N--CA 1.451 -0.993 0 C-N-CA 122.896 2.397 . . . . 0.0 112.025 169.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 CA--C 1.53 0.205 0 C-N-CA 124.696 1.199 . . . . 0.0 114.182 169.812 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.7 tpt . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 110.223 -0.288 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -96.78 148.96 22.37 Favored 'General case' 0 N--CA 1.451 -0.394 0 C-N-CA 122.808 0.443 . . . . 0.0 111.26 175.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -125.31 124.95 68.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 N-CA-C 109.168 -0.678 . . . . 0.0 109.168 170.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.87 155.68 28.63 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 125.693 1.597 . . . . 0.0 109.644 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -125.81 108.41 11.45 Favored 'General case' 0 N--CA 1.456 -0.175 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 168.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -120.94 125.85 48.49 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.69 1.196 . . . . 0.0 110.197 -169.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.74 165.78 12.78 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 119.571 1.078 . . . . 0.0 112.571 175.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.2 m -57.48 134.69 21.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 115.406 -0.815 . . . . 0.0 112.434 -169.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.08 -3.33 76.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.312 0.958 . . . . 0.0 114.161 179.007 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -97.91 171.74 8.09 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 118.485 1.143 . . . . 0.0 111.542 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 49.5 m -133.37 156.85 46.91 Favored 'General case' 0 C--N 1.338 0.109 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 -168.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 72.2 mt -136.97 156.43 34.51 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 126.758 2.023 . . . . 0.0 108.158 177.245 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 19.6 m120 -131.97 149.11 52.52 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.439 -0.788 . . . . 0.0 112.293 -176.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 45.6 mt -136.29 141.34 41.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.51 1.124 . . . . 0.0 109.034 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.17 -139.83 47.26 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 -173.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -121.7 10.08 10.26 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.075 0.95 . . . . 0.0 112.485 173.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.9 m-20 -132.98 -22.58 2.04 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -178.31 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -95.7 137.84 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.258 0.935 . . . . 0.0 110.958 -170.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 39.1 m -126.13 141.72 51.82 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.155 0.982 . . . . 0.0 110.28 174.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.3 mm -122.13 138.6 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.487 1.515 . . . . 0.0 108.328 176.567 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 7.9 m -134.79 128.32 32.58 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.124 0.57 . . . . 0.0 109.886 -178.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.08 107.7 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 32.2 mt -80.49 -28.99 37.38 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.311 0.644 . . . . 0.0 111.078 -172.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.68 -172.26 35.52 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 123.289 0.471 . . . . 0.0 112.931 173.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.4 m -123.86 149.94 28.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.242 0.617 . . . . 0.0 111.346 178.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 66.9 m -138.59 89.93 2.41 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.87 1.268 . . . . 0.0 108.686 169.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.49 -125.8 34.23 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.644 -0.583 . . . . 0.0 111.644 -171.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -79.13 -17.87 54.26 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 112.551 0.574 . . . . 0.0 112.551 175.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -77.96 143.59 37.49 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 121.42 0.629 . . . . 0.0 110.265 175.074 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 61.1 t -131.63 120.98 46.81 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -174.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 22.5 ttm105 -90.77 124.16 34.91 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.935 0.894 . . . . 0.0 108.93 -173.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.26 139.59 48.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.448 0.699 . . . . 0.0 110.333 -167.663 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -113.72 140.59 16.44 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.138 0.875 . . . . 0.0 111.013 173.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -129.76 135.36 61.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.107 0.963 . . . . 0.0 109.552 176.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -129.01 104.35 7.53 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.028 0.931 . . . . 0.0 109.286 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.38 158.77 63.02 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.005 0.922 . . . . 0.0 111.342 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -65.43 161.88 36.18 Favored 'Trans proline' 0 N--CA 1.45 -1.076 0 C-N-CA 122.845 2.363 . . . . 0.0 111.882 173.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 76.9 tttt -62.69 -18.13 61.86 Favored 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.845 0.858 . . . . 0.0 112.498 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -67.58 -18.25 64.93 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.144 1.378 . . . . 0.0 113.094 -179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 8.6 m -128.77 161.3 38.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.549 0.739 . . . . 0.0 111.244 -176.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.33 163.76 13.12 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 123.255 0.622 . . . . 0.0 111.783 174.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.5 p -155.04 125.04 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 123.496 0.719 . . . . 0.0 110.243 170.057 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -152.06 178.41 9.48 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 124.186 0.995 . . . . 0.0 110.764 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -71.77 160.95 31.72 Favored 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 169.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -62.37 -26.53 68.51 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 122.452 0.301 . . . . 0.0 111.73 177.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -61.31 -43.76 98.34 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.826 0.85 . . . . 0.0 111.637 174.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -84.7 -31.28 7.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.55 0.74 . . . . 0.0 109.636 -174.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . 0.478 ' HA ' HG12 ' F' ' 51' ' ' ILE . 70.0 t80 -52.91 -34.51 55.42 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.6 1.16 . . . . 0.0 112.917 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 73.3 mt-30 -66.59 -23.99 66.27 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 123.204 0.602 . . . . 0.0 112.327 -179.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.3 mpt_? -83.19 -24.14 32.56 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.321 0.648 . . . . 0.0 111.023 175.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.478 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.0 mm -68.01 -56.64 12.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.79 0.836 . . . . 0.0 109.241 169.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 81.4 mm-40 -77.68 3.09 14.82 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.745 0.818 . . . . 0.0 112.497 -170.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.2 -24.54 64.89 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.113 0.965 . . . . 0.0 112.816 169.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 153.69 31.6 0.03 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.525 -0.597 . . . . 0.0 114.002 169.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.8 pp -158.84 -173.44 4.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 117.938 0.869 . . . . 0.0 111.595 -168.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 8.3 m -140.9 141.81 34.53 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.716 0.806 . . . . 0.0 109.226 168.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 51.04 81.29 0.26 Allowed Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 125.255 1.422 . . . . 0.0 113.24 178.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -48.53 -43.61 32.71 Favored 'Trans proline' 0 N--CA 1.454 -0.83 0 C-N-CA 124.344 3.363 . . . . 0.0 114.104 174.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.0 t0 . . . . . 0 N--CA 1.452 -0.36 0 C-N-CA 123.782 0.833 . . . . 0.0 110.033 -169.244 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 O4'-C1'-N19 112.093 3.893 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 0 O4'-C1'-N19 111.442 3.242 . 0.351 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 1 O4'-C1'-N19 112.926 4.726 . 0.432 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 1 O4'-C1'-N19 112.277 4.077 . 0.131 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.445 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 C3'-C2'-C1' 104.302 3.113 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.445 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 C5'-C4'-C3' 108.89 -4.407 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.761 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.416 -3.118 1 O4'-C1'-N19 112.496 4.296 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.038 0 C5'-C4'-C3' 110.895 -3.07 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 0 P-O3'-C3' 122.001 1.918 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.311 1 C3'-C2'-C1' 105.139 4.043 . 0.11 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 O4'-C1'-N19 111.771 3.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.558 -2.628 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 1 C5'-C4'-C3' 108.405 -4.73 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 110.472 2.272 . 0.509 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 111.646 3.446 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.484 3.284 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C5'-C4'-C3' 109.638 -3.908 . 0.779 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C5'-C4'-C3' 110.862 -3.092 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 110.826 2.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.85 3.65 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.32 1 O4'-C1'-N19 112.275 4.075 . 0.66 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 C4'-C3'-C2' 99.828 -2.872 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 1 O4'-C1'-N19 112.632 4.432 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 112.039 3.839 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 N19-C1'-C2' 108.714 -2.929 . 0.763 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.866 0 O4'-C1'-N19 111.783 3.583 . 0.569 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.491 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.412 -3.398 0 C5'-C4'-C3' 112.702 -1.865 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.421 0 C5'-C4'-C3' 112.352 -2.099 . 0.06 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 111.146 -2.903 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 O4'-C1'-N19 111.35 3.15 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C4'-C3'-C2' 100.411 -2.289 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 111.365 3.165 . 0.722 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 1 O4'-C1'-N19 112.437 4.237 . 0.828 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 O4'-C1'-N19 111.769 3.569 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.051 0 C4'-C3'-C2' 99.659 -3.041 . 0.312 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 O4'-C1'-N19 111.545 3.345 . 0.66 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 P-O3'-C3' 122.513 2.344 . 0.016 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.676 3.476 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C3'-C2'-C1' 104.276 3.085 . 0.308 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 113.558 5.358 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.322 0 C5'-C4'-C3' 109.706 -3.863 . 0.062 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 2 O4'-C1'-N19 114.298 6.098 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 1 O4'-C1'-N19 113.954 5.754 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.61 4.41 . 0.161 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 1 O4'-C1'-N19 112.638 4.438 . 0.276 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 O4'-C1'-N19 111.389 3.189 . 0.503 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . 0.433 ' H41' ' HB ' ' B' ' 5' ' ' THR . . . . . . . . 0 O4'--C4' 1.417 -2.983 0 O4'-C1'-N19 112.19 3.99 . 0.595 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 C3'-C2'-C1' 104.53 3.367 . 0.345 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C4'-C3'-C2' 99.61 -3.09 . 0.011 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 O4'-C1'-N19 111.298 3.098 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.387 0 C5'-C4'-C3' 110.983 -3.012 . 0.442 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.398 1 O5'-C5'-C4' 116.883 4.774 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.077 0 C5'-C4'-C3' 112.413 -2.058 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 112.381 4.181 . 0.76 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 C4'-C3'-C2' 100.279 -2.421 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.013 2.813 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C5'-C4'-C3' 110.823 -3.118 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 112.049 3.849 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 112.147 3.947 . 0.112 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 0 O4'-C1'-N19 111.683 3.483 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 O4'-C1'-N19 112.041 3.841 . 0.379 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.716 3.516 . 0.346 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 1 C3'-C2'-C1' 105.583 4.537 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 P-O3'-C3' 122.604 2.42 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 0 O4'-C1'-N19 111.032 2.832 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 0 C5'-C4'-C3' 110.846 -3.102 . 0.16 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.547 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 C3'-C2'-C1' 97.536 -4.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 C4'-C3'-C2' 99.733 -2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 110.847 2.647 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 O4'-C1'-N19 112.423 4.223 . 0.734 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 0 C4'-C3'-C2' 99.733 -2.967 . 0.362 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 O4'-C1'-N19 111.472 3.272 . 0.611 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.1 ttp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.113 -0.47 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.61 114.26 25.9 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.669 0.788 . . . . 0.0 109.686 -176.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -98.11 134.9 34.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.582 0.753 . . . . 0.0 109.282 179.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.4 mt -131.68 162.22 30.94 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.239 1.016 . . . . 0.0 109.691 175.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 89.3 m -122.75 118.48 28.13 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 -179.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.479 ' HD2' HD11 ' A' ' 12' ' ' ILE . 0.6 OUTLIER -127.2 133.04 50.33 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.246 0.618 . . . . 0.0 111.366 -167.825 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 153.3 18.23 Favored 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 118.168 0.44 . . . . 0.0 110.723 179.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.408 HG13 ' HA2' ' A' ' 24' ' ' GLY . 54.8 t -44.71 125.23 0.98 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 123.321 0.649 . . . . 0.0 110.647 179.07 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.98 -16.56 60.02 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 124.208 0.909 . . . . 0.0 114.295 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 75.5 mt-10 -85.39 171.99 11.41 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-N 119.095 1.448 . . . . 0.0 112.053 177.174 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.7 m -142.0 160.21 40.67 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -169.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 HD11 ' HD2' ' A' ' 6' ' ' ARG . 36.0 mm -127.84 157.38 39.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 126.971 2.108 . . . . 0.0 108.454 177.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -129.78 141.25 50.89 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.803 1.241 . . . . 0.0 110.523 -177.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 54.6 mt -134.94 134.86 53.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.294 1.038 . . . . 0.0 109.227 -176.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.4 -131.55 35.28 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 178.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -125.2 -1.45 7.67 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.004 0.922 . . . . 0.0 112.334 177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -134.47 -15.79 2.13 Favored 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 113.6 0.963 . . . . 0.0 113.6 -169.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 58.3 mt -106.55 137.88 34.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 CA-C-N 118.706 0.685 . . . . 0.0 110.622 -169.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 26.7 m -134.98 141.91 46.34 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.113 0.965 . . . . 0.0 109.686 176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.5 mm -123.62 139.53 49.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.676 1.19 . . . . 0.0 108.572 -179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 48.6 m -135.62 135.43 40.21 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.446 0.699 . . . . 0.0 109.858 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -85.37 98.68 6.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.493 -0.929 . . . . 0.0 108.493 169.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.84 -26.5 63.31 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 121.922 -0.486 . . . . 0.0 110.12 -177.66 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.408 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.46 -173.86 41.91 Favored Glycine 0 CA--C 1.526 0.746 0 CA-C-N 118.233 0.469 . . . . 0.0 114.008 168.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 34.0 m -132.02 154.14 39.69 Favored 'Isoleucine or valine' 0 C--O 1.23 0.07 0 C-N-CA 123.765 0.826 . . . . 0.0 111.919 -178.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 34.8 m -141.51 63.09 1.44 Allowed 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.823 1.249 . . . . 0.0 109.986 -175.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.4 -127.67 8.49 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.296 -1.122 . . . . 0.0 110.296 -169.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 73.4 mt-30 -79.63 -11.73 59.85 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -98.74 129.43 45.18 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 122.914 1.34 . . . . 0.0 110.473 176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.3 t -111.35 121.75 64.52 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 CA-C-N 112.792 -2.004 . . . . 0.0 108.329 -167.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 40.5 ttt-85 -90.8 101.89 14.65 Favored 'General case' 0 N--CA 1.453 -0.281 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -177.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.9 mt -107.56 131.21 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.653 1.181 . . . . 0.0 109.311 -176.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.18 135.23 12.21 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 169.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -109.85 135.25 49.41 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 125.062 1.345 . . . . 0.0 108.103 174.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -125.41 75.04 1.43 Allowed 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.336 1.054 . . . . 0.0 109.049 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.57 154.92 42.12 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 125.101 1.36 . . . . 0.0 111.009 176.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.46 153.57 55.34 Favored 'Trans proline' 0 N--CA 1.45 -1.037 0 C-N-CA 122.532 2.154 . . . . 0.0 110.443 176.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.8 mtpt -69.04 -3.51 13.4 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.758 0.651 . . . . 0.0 112.758 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -69.55 -24.92 63.78 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.891 0.876 . . . . 0.0 111.942 169.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -116.08 144.05 24.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-O 121.795 0.807 . . . . 0.0 111.711 173.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 143.0 29.26 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 124.122 0.969 . . . . 0.0 110.713 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.1 m -131.8 125.26 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 122.707 0.403 . . . . 0.0 110.389 174.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.3 m-70 -153.21 156.8 39.21 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 123.679 0.792 . . . . 0.0 110.228 -173.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -84.71 164.2 18.72 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 170.339 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -57.53 -39.02 75.66 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.499 1.12 . . . . 0.0 111.667 -178.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -64.14 -12.49 40.37 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.9 1.28 . . . . 0.0 112.648 -179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -120.85 -26.37 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.45 1.1 . . . . 0.0 111.536 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.7 -32.28 73.34 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 118.921 0.782 . . . . 0.0 110.976 -174.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -75.09 -14.57 60.59 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.085 0.554 . . . . 0.0 112.209 178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.54 -30.84 52.95 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 123.739 0.816 . . . . 0.0 111.001 169.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 71.5 mt -71.23 -54.29 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.884 0.874 . . . . 0.0 109.393 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -76.81 5.12 8.29 Favored 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 123.719 0.807 . . . . 0.0 111.586 -174.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.98 -20.82 66.17 Favored 'General case' 0 N--CA 1.448 -0.531 0 C-N-CA 123.395 0.678 . . . . 0.0 112.419 169.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.57 15.91 1.21 Allowed Glycine 0 C--N 1.339 0.718 0 C-N-CA 123.712 0.673 . . . . 0.0 113.43 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -125.25 175.43 7.44 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.753 1.221 . . . . 0.0 111.16 -177.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 39.2 p -137.21 -14.57 1.52 Allowed 'General case' 0 N--CA 1.457 -0.102 0 C-N-CA 123.32 0.648 . . . . 0.0 112.715 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.05 163.4 21.52 Favored Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 124.693 1.197 . . . . 0.0 110.813 175.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -56.36 -25.28 56.25 Favored 'Trans proline' 0 N--CA 1.456 -0.733 0 C-N-CA 123.501 2.801 . . . . 0.0 113.746 172.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.4 p30 . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 122.889 0.476 . . . . 0.0 111.115 -169.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.428 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 32.7 tpp . . . . . 0 N--CA 1.474 0.763 0 CA-C-O 119.844 -0.122 . . . . 0.0 110.934 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.33 122.25 43.36 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.344 1.457 . . . . 0.0 107.62 169.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.453 HD11 " H5'" ' G' ' 52' ' ' ' A' . 52.6 mt -119.69 139.43 47.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -164.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.5 mt -143.05 141.28 31.25 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.795 1.238 . . . . 0.0 111.84 -171.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 25.7 p -91.2 127.45 36.63 Favored 'General case' 0 CA--C 1.522 -0.125 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 166.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -127.07 114.94 18.43 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 123.03 0.532 . . . . 0.0 110.165 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 19.0 tttm -82.67 149.18 27.5 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 22.6 m -56.14 131.52 19.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 CA-C-O 121.131 0.491 . . . . 0.0 111.153 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.01 -8.93 65.47 Favored Glycine 0 CA--C 1.527 0.789 0 CA-C-O 119.143 -0.809 . . . . 0.0 114.807 -176.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -85.22 168.25 14.93 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 119.003 1.402 . . . . 0.0 111.733 175.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 71.4 m -132.65 155.75 48.19 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.759 0.824 . . . . 0.0 112.434 -169.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.431 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 33.3 mt -137.02 156.77 34.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.72 1.608 . . . . 0.0 109.786 -177.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 m120 -135.3 141.99 45.77 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.107 0.963 . . . . 0.0 111.204 -173.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 80.0 mt -134.56 127.58 50.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.279 1.032 . . . . 0.0 109.441 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.75 -134.24 52.42 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -174.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.92 5.01 5.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.703 0.801 . . . . 0.0 112.759 173.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -112.1 -19.72 12.19 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -117.46 136.94 53.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.175 0 CA-C-N 118.967 0.803 . . . . 0.0 111.425 -169.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.5 m -131.03 148.56 52.76 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 124.956 1.302 . . . . 0.0 109.674 170.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -130.07 145.2 36.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 125.739 1.616 . . . . 0.0 108.393 -176.395 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 8.5 m -137.54 133.11 34.14 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.994 0.517 . . . . 0.0 110.217 179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.1 tp -88.67 93.92 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 173.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 25.7 mt -65.48 -32.62 74.32 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 122.033 -0.417 . . . . 0.0 110.997 -174.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.1 -174.32 36.85 Favored Glycine 0 C--N 1.336 0.539 0 N-CA-C 112.088 -0.405 . . . . 0.0 112.088 169.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.8 m -111.14 147.62 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-O 121.409 0.623 . . . . 0.0 110.995 176.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 31.0 t -122.81 71.95 1.06 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 125.559 1.543 . . . . 0.0 108.013 174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.36 -122.27 5.76 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.636 -0.985 . . . . 0.0 110.636 -173.503 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.496 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -96.82 10.44 38.91 Favored 'General case' 0 N--CA 1.454 -0.236 0 O-C-N 122.066 -0.667 . . . . 0.0 111.484 172.632 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -99.44 158.41 15.75 Favored 'General case' 0 N--CA 1.449 -0.525 0 C-N-CA 124.202 1.001 . . . . 0.0 109.346 167.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 t -140.26 117.86 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 C-N-CA 123.085 0.554 . . . . 0.0 109.775 -167.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -87.37 121.27 29.59 Favored 'General case' 0 N--CA 1.457 -0.095 0 C-N-CA 124.123 0.969 . . . . 0.0 109.656 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.13 131.43 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.162 0.985 . . . . 0.0 109.8 -169.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.82 139.71 14.64 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 171.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.2 mt -125.22 130.67 72.98 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.836 0.855 . . . . 0.0 109.103 176.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.9 t-20 -131.16 80.24 1.93 Allowed 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 114.705 -1.134 . . . . 0.0 109.473 -168.327 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.0 157.39 72.15 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 114.173 -1.376 . . . . 0.0 109.85 177.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -60.52 157.22 37.63 Favored 'Trans proline' 0 N--CA 1.447 -1.225 0 C-N-CA 122.119 1.879 . . . . 0.0 111.602 169.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mmmt -71.11 -0.93 10.72 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.837 0.855 . . . . 0.0 112.308 171.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -65.89 -23.65 66.68 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.34 1.456 . . . . 0.0 111.887 169.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 15.2 m -114.26 144.13 22.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.331 1.052 . . . . 0.0 110.274 177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.99 142.24 28.09 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-O 121.269 0.556 . . . . 0.0 111.711 171.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.5 t -144.74 97.42 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 CA-C-N 114.913 -1.039 . . . . 0.0 109.673 -166.246 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.468 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -147.43 166.3 27.62 Favored 'General case' 0 C--N 1.338 0.091 0 C-N-CA 124.252 1.021 . . . . 0.0 111.944 -178.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.73 163.57 27.54 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 122.877 0.471 . . . . 0.0 111.508 169.462 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -51.38 -46.52 62.82 Favored 'General case' 0 N--CA 1.458 -0.07 0 C-N-CA 123.475 0.71 . . . . 0.0 112.359 -177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 23.6 tt0 -48.26 -44.15 33.16 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 123.43 0.692 . . . . 0.0 110.905 -178.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.403 ' CG2' " H1'" ' G' ' 26' ' ' ' A' . 10.1 mm -81.21 -48.67 18.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 C-N-CA 124.962 1.305 . . . . 0.0 110.177 -174.04 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 70.5 t80 -49.83 -39.03 37.37 Favored 'General case' 0 N--CA 1.448 -0.555 0 C-N-CA 124.753 1.221 . . . . 0.0 111.706 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 75.2 mt-30 -66.11 -28.23 68.66 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.149 0.98 . . . . 0.0 112.994 -175.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.458 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -77.45 -43.96 30.59 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 118.976 0.807 . . . . 0.0 109.94 172.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.534 HG22 HE22 ' B' ' 52' ' ' GLN . 97.4 mt -62.77 -37.3 78.76 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 C-N-CA 123.211 0.605 . . . . 0.0 109.47 -172.595 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.534 HE22 HG22 ' B' ' 51' ' ' ILE . 10.9 mm-40 -81.28 1.33 32.92 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 175.275 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.21 -13.53 58.47 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.654 0.782 . . . . 0.0 112.273 170.53 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.45 47.81 0.17 Allowed Glycine 0 CA--C 1.525 0.704 0 CA-C-O 119.719 -0.49 . . . . 0.0 113.774 169.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -168.46 -177.52 3.2 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 117.471 0.635 . . . . 0.0 112.337 -168.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 54.0 p -129.68 -174.45 3.3 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 125.177 1.391 . . . . 0.0 109.425 168.06 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -42.58 120.13 2.53 Favored Pre-proline 0 N--CA 1.454 -0.254 0 C-N-CA 123.846 0.858 . . . . 0.0 110.987 178.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -54.08 -47.0 29.45 Favored 'Trans proline' 0 N--CA 1.453 -0.871 0 C-N-CA 123.483 2.789 . . . . 0.0 113.362 -169.515 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.8 t0 . . . . . 0 N--CA 1.451 -0.385 0 C-N-CA 124.145 0.978 . . . . 0.0 109.889 -171.88 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 8.6 tpp . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 105.151 -2.166 . . . . 0.0 105.151 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -104.88 107.23 18.08 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.765 -0.828 . . . . 0.0 108.765 178.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.53 132.48 31.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 123.318 0.647 . . . . 0.0 109.287 175.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 87.7 mt -126.65 135.73 51.57 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.895 0.878 . . . . 0.0 109.836 169.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -97.98 145.32 26.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.127 0.571 . . . . 0.0 110.919 170.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.43 HH21 ' CA ' ' C' ' 11' ' ' SER . 0.0 OUTLIER -146.16 156.8 43.67 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.206 1.002 . . . . 0.0 110.756 178.768 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.0 tptm -97.32 158.58 15.39 Favored 'General case' 0 C--N 1.335 -0.055 0 C-N-CA 124.691 1.196 . . . . 0.0 109.625 170.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -58.38 139.06 18.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.141 0 CA-C-N 118.945 0.793 . . . . 0.0 111.691 -178.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.85 -3.86 85.86 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 124.614 1.102 . . . . 0.0 114.726 -175.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -85.61 -177.17 6.34 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 119.493 1.646 . . . . 0.0 113.027 -179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.43 ' CA ' HH21 ' C' ' 6' ' ' ARG . 54.9 m -141.25 147.68 38.64 Favored 'General case' 0 CA--C 1.528 0.104 0 C-N-CA 124.511 1.124 . . . . 0.0 113.11 -165.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 5.9 mm -139.22 151.31 23.05 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.133 0 C-N-CA 127.06 2.144 . . . . 0.0 107.755 -174.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -134.3 144.7 48.47 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.835 0.854 . . . . 0.0 111.258 -172.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.7 mt -134.06 132.25 55.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.414 1.086 . . . . 0.0 109.055 176.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.91 -134.48 49.92 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.609 -0.996 . . . . 0.0 110.609 -169.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -129.27 7.59 5.44 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.743 0.817 . . . . 0.0 111.856 169.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -115.13 -13.82 11.79 Favored 'General case' 0 CA--C 1.528 0.135 0 C-N-CA 124.155 0.982 . . . . 0.0 113.014 -179.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.95 61.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-N 118.726 0.694 . . . . 0.0 110.747 -173.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 85.9 m -130.55 140.75 50.47 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.48 1.112 . . . . 0.0 109.501 175.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 25.0 mm -124.7 136.79 59.58 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.06 1.344 . . . . 0.0 108.227 -177.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 6.6 m -128.29 138.08 52.25 Favored 'General case' 0 N--CA 1.456 -0.162 0 O-C-N 121.708 -0.62 . . . . 0.0 110.337 -173.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.1 tp -91.16 114.14 27.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.068 -1.086 . . . . 0.0 108.068 168.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 mt -87.95 -35.02 17.89 Favored 'General case' 0 N--CA 1.451 -0.382 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.92 -173.39 39.13 Favored Glycine 0 C--N 1.337 0.636 0 C-N-CA 121.708 -0.282 . . . . 0.0 113.062 167.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.43 162.49 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 CA-C-O 121.565 0.697 . . . . 0.0 111.937 175.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 36.5 m -142.61 70.1 1.32 Allowed 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 126.303 1.841 . . . . 0.0 108.034 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.59 -109.77 3.07 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 109.446 -1.461 . . . . 0.0 109.446 -168.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -96.3 -6.72 37.17 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.304 0.853 . . . . 0.0 113.304 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.448 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -94.5 160.09 14.8 Favored 'General case' 0 N--CA 1.455 -0.202 0 CA-C-O 121.893 0.854 . . . . 0.0 112.313 172.437 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.433 HG11 HG11 ' D' ' 30' ' ' VAL . 86.7 t -136.08 108.9 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 C-N-CA 125.594 1.558 . . . . 0.0 107.049 -168.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -75.25 110.16 9.36 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 108.864 -0.791 . . . . 0.0 108.864 175.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -107.09 130.81 58.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 125.29 1.436 . . . . 0.0 109.881 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.99 141.48 15.72 Favored Glycine 0 CA--C 1.524 0.621 0 C-N-CA 125.259 1.409 . . . . 0.0 110.721 169.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.96 125.03 54.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 -179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 21.9 t-20 -129.67 96.17 4.18 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.781 -0.452 . . . . 0.0 109.781 -169.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.59 154.57 66.55 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 124.327 1.051 . . . . 0.0 110.032 -175.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -63.22 152.89 77.49 Favored 'Trans proline' 0 N--CA 1.451 -1.001 0 C-N-CA 122.656 2.237 . . . . 0.0 111.194 172.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.88 -1.01 3.45 Favored 'General case' 0 N--CA 1.458 -0.068 0 C-N-CA 123.313 0.645 . . . . 0.0 112.466 171.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.84 -22.83 66.57 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.346 1.058 . . . . 0.0 111.228 168.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 7.7 m -124.78 151.41 30.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.342 1.057 . . . . 0.0 110.698 175.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 155.67 19.42 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 122.735 0.414 . . . . 0.0 111.51 178.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 m -139.0 132.16 38.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.116 0 C-N-CA 123.152 0.581 . . . . 0.0 109.707 170.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 78.2 m-70 -157.3 166.4 33.23 Favored 'General case' 0 CA--C 1.521 -0.146 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.103 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.456 ' HA ' HD13 ' D' ' 12' ' ' ILE . 84.9 mtm-85 -69.51 153.57 43.3 Favored 'General case' 0 N--CA 1.455 -0.19 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 165.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 tm-20 -60.96 -32.5 72.03 Favored 'General case' 0 N--CA 1.456 -0.143 0 O-C-N 122.241 -0.287 . . . . 0.0 111.69 -178.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -57.02 -45.56 83.01 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.147 0.979 . . . . 0.0 111.886 172.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 34.0 mm -87.39 -32.94 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 123.365 0.666 . . . . 0.0 110.839 -170.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 26.5 t80 -50.86 -40.03 55.28 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.269 1.028 . . . . 0.0 112.098 176.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -60.24 -28.54 68.1 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.389 0.676 . . . . 0.0 112.298 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.8 ttt85 -71.98 -41.29 67.85 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.306 0.642 . . . . 0.0 111.754 177.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.7 mp -65.28 -21.24 28.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 177.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 89.8 mm-40 -98.41 2.13 47.53 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.945 1.298 . . . . 0.0 113.458 177.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.37 4.04 1.96 Allowed 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 114.284 1.216 . . . . 0.0 114.284 -172.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 102.48 46.0 1.6 Allowed Glycine 0 C--N 1.337 0.629 0 C-N-CA 123.984 0.802 . . . . 0.0 111.632 -177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 66.3 mt -84.84 1.76 45.5 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.626 0.771 . . . . 0.0 112.301 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 p -76.25 127.4 32.82 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.885 0.874 . . . . 0.0 110.949 178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 44.09 69.8 2.24 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 125.115 1.366 . . . . 0.0 112.854 -174.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_exo -54.35 147.57 45.85 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 123.461 2.774 . . . . 0.0 113.057 -177.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.8 t70 . . . . . 0 CA--C 1.529 0.137 0 C-N-CA 126.325 1.85 . . . . 0.0 115.42 169.549 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 69.2 mmm . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -134.97 110.62 9.22 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 126.278 1.831 . . . . 0.0 106.524 167.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.82 138.21 30.63 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.571 1.148 . . . . 0.0 109.516 -169.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -159.04 156.9 30.13 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.215 0.606 . . . . 0.0 111.654 175.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 70.6 p -91.77 148.3 22.34 Favored 'General case' 0 N--CA 1.455 -0.211 0 CA-C-O 121.158 0.504 . . . . 0.0 111.66 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.477 ' HA ' ' HE ' ' D' ' 6' ' ' ARG . 0.6 OUTLIER -132.69 135.75 45.99 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.117 0.967 . . . . 0.0 108.634 167.609 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.448 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 63.0 mttt -84.19 158.56 21.27 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 121.072 0.463 . . . . 0.0 110.476 168.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 21.3 m -54.58 124.19 6.87 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.321 0.648 . . . . 0.0 111.415 -176.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 101.56 -3.23 53.52 Favored Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.167 0.889 . . . . 0.0 114.024 179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 75.9 mt-10 -95.24 170.71 9.2 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 118.503 1.152 . . . . 0.0 112.04 -179.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 69.9 m -134.32 161.56 34.63 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 113.998 1.11 . . . . 0.0 113.998 -169.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.456 HD13 ' HA ' ' C' ' 44' ' ' ARG . 45.2 mm -136.68 151.49 27.92 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.15 0 C-N-CA 128.088 2.555 . . . . 0.0 108.301 -176.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -119.54 149.48 41.84 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.889 0.876 . . . . 0.0 111.83 173.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.7 mt -134.02 134.16 55.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.93 1.292 . . . . 0.0 109.338 173.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.72 -129.94 42.39 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.318 -0.713 . . . . 0.0 111.318 -177.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -130.05 4.23 4.86 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.99 0.916 . . . . 0.0 111.715 172.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -132.26 -8.97 3.36 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -170.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.77 133.05 65.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.76 0.709 . . . . 0.0 110.34 -174.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 10.9 m -129.37 144.56 51.29 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.842 0.857 . . . . 0.0 109.91 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 12.6 mm -126.14 144.56 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.954 1.302 . . . . 0.0 108.336 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 96.3 m -137.03 129.57 30.11 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 123.483 0.713 . . . . 0.0 109.468 177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' D' ' 30' ' ' VAL . 0.1 OUTLIER -86.83 109.95 19.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 177.129 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 45.8 mt -80.92 -36.12 31.51 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.349 0.66 . . . . 0.0 111.007 -168.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.91 -178.16 45.05 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 112.37 -0.292 . . . . 0.0 112.37 170.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.4 m -108.01 157.71 8.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.323 0.649 . . . . 0.0 109.869 168.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 66.8 m -141.61 76.95 1.57 Allowed 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 170.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.86 -116.4 4.27 Favored Glycine 0 CA--C 1.522 0.512 0 N-CA-C 111.358 -0.697 . . . . 0.0 111.358 -172.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -92.77 -4.2 53.48 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.207 0.603 . . . . 0.0 110.333 173.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -75.71 152.6 37.45 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-O 121.44 0.638 . . . . 0.0 112.015 169.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' D' ' 22' ' ' ILE . 22.3 t -130.18 121.03 50.61 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.48 0 C-N-CA 125.585 1.554 . . . . 0.0 106.897 169.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.2 ttm-85 -96.54 118.96 34.14 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.453 1.101 . . . . 0.0 108.151 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.37 130.13 65.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 122.455 0.302 . . . . 0.0 110.574 -168.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.95 141.59 15.78 Favored Glycine 0 CA--C 1.522 0.514 0 C-N-CA 124.399 0.999 . . . . 0.0 111.287 172.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -127.5 141.05 47.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 177.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -138.11 98.59 3.67 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 123.462 0.705 . . . . 0.0 109.221 -174.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.86 155.42 80.3 Favored Pre-proline 0 N--CA 1.452 -0.326 0 C-N-CA 124.483 1.113 . . . . 0.0 109.397 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -62.19 150.59 86.25 Favored 'Trans proline' 0 N--CA 1.451 -0.998 0 C-N-CA 122.186 1.924 . . . . 0.0 110.598 169.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -69.26 -1.22 7.5 Favored 'General case' 0 N--CA 1.457 -0.083 0 O-C-N 121.796 -0.565 . . . . 0.0 112.437 175.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -66.53 -22.39 66.17 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.709 1.204 . . . . 0.0 111.385 168.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -124.87 159.95 30.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.351 1.06 . . . . 0.0 110.711 176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.65 157.04 16.75 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.272 0.629 . . . . 0.0 112.273 -176.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.08 127.23 7.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 O-C-N 121.915 -0.491 . . . . 0.0 110.019 168.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -149.85 167.5 26.4 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.662 0.785 . . . . 0.0 111.206 173.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -78.52 154.81 30.14 Favored 'General case' 0 C--O 1.227 -0.128 0 C-N-CA 123.156 0.582 . . . . 0.0 110.232 168.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -59.59 -34.66 73.01 Favored 'General case' 0 CA--C 1.529 0.15 0 C-N-CA 124.082 0.953 . . . . 0.0 112.921 -169.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -66.8 -27.77 67.84 Favored 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 112.937 0.718 . . . . 0.0 112.937 175.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.7 mm -83.06 -38.25 14.46 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.272 0.629 . . . . 0.0 110.394 170.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.99 -35.31 66.63 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 123.09 0.556 . . . . 0.0 112.464 -171.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.49 -20.99 65.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.461 0.704 . . . . 0.0 112.768 178.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.406 ' HA ' ' HB3' ' D' ' 53' ' ' ALA . 62.4 mtt85 -85.91 -30.25 22.99 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 125.113 1.365 . . . . 0.0 111.248 177.471 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.627 ' O ' HD12 ' D' ' 55' ' ' LEU . 0.3 OUTLIER -69.42 -18.73 22.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.603 1.161 . . . . 0.0 108.808 171.702 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -103.37 -0.4 30.16 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 126.156 1.782 . . . . 0.0 111.871 177.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.406 ' HB3' ' HA ' ' D' ' 50' ' ' ARG . . . -112.04 -49.42 2.98 Favored 'General case' 0 CA--C 1.529 0.136 0 C-N-CA 125.202 1.401 . . . . 0.0 112.957 178.39 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -154.07 -3.0 0.13 Allowed Glycine 0 CA--C 1.529 0.918 0 C-N-CA 124.305 0.955 . . . . 0.0 114.531 -169.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.627 HD12 ' O ' ' D' ' 51' ' ' ILE . 0.0 OUTLIER 29.65 81.83 0.02 OUTLIER 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 128.862 2.865 . . . . 0.0 114.193 168.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . 0.547 HG23 ' H42' ' G' ' 7' ' ' ' C' . 25.9 p -92.37 -6.31 50.37 Favored 'General case' 0 N--CA 1.455 -0.218 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 -169.805 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.21 73.99 80.82 Favored Pre-proline 0 N--CA 1.451 -0.38 0 C-N-CA 123.225 0.61 . . . . 0.0 111.211 177.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 65.8 Cg_exo -52.18 -39.21 71.86 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 123.749 2.966 . . . . 0.0 112.577 169.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.1 t0 . . . . . 0 N--CA 1.451 -0.391 0 C-N-CA 124.283 1.033 . . . . 0.0 109.845 -169.864 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 19.9 ttt . . . . . 0 N--CA 1.475 0.8 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.7 tt -119.81 116.03 25.06 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.897 0.879 . . . . 0.0 109.845 -174.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -107.76 138.05 36.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.177 0.991 . . . . 0.0 109.989 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.8 mt -135.59 165.04 26.46 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.831 1.652 . . . . 0.0 110.611 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -133.72 99.79 4.58 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 168.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.445 ' CD ' HD11 ' E' ' 12' ' ' ILE . 5.4 mmp_? -108.48 144.96 35.41 Favored 'General case' 0 CA--C 1.519 -0.237 0 C-N-CA 124.867 1.267 . . . . 0.0 111.528 -172.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 36.6 mtpt -90.04 164.64 14.43 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.615 178.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 17.2 m -61.46 140.23 19.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-O 120.883 0.373 . . . . 0.0 111.515 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.47 -3.54 86.39 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 123.794 0.711 . . . . 0.0 114.202 -176.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -82.07 168.1 18.12 Favored 'General case' 0 CA--C 1.527 0.096 0 CA-C-N 118.563 1.182 . . . . 0.0 111.464 175.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -136.33 151.52 49.68 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.394 0.678 . . . . 0.0 112.065 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.445 HD11 ' CD ' ' E' ' 6' ' ' ARG . 43.3 mm -134.51 153.85 36.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 126.622 1.969 . . . . 0.0 108.264 -177.076 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -133.25 151.61 51.92 Favored 'General case' 0 N--CA 1.456 -0.167 0 O-C-N 121.197 -0.939 . . . . 0.0 112.907 -174.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 44.1 mt -137.53 140.42 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.761 1.224 . . . . 0.0 108.962 -179.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.37 -137.7 49.88 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -177.561 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -124.51 10.08 8.48 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 124.208 1.003 . . . . 0.0 111.544 174.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -141.16 -5.98 1.09 Allowed 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.44 0.904 . . . . 0.0 113.44 -170.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -117.14 134.44 60.72 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 119.043 0.838 . . . . 0.0 110.699 -173.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 28.8 m -127.47 145.35 50.87 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.469 1.108 . . . . 0.0 110.34 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -125.39 139.58 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 125.779 1.632 . . . . 0.0 108.125 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 58.3 m -135.99 130.51 33.71 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.15 0.58 . . . . 0.0 110.134 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -82.01 107.48 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 171.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -73.15 -31.74 64.44 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.571 0.348 . . . . 0.0 110.274 -179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 154.94 -173.71 33.25 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.359 0.504 . . . . 0.0 113.362 169.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.8 m -115.6 159.5 15.48 Favored 'Isoleucine or valine' 0 C--N 1.338 0.071 0 C-N-CA 123.528 0.731 . . . . 0.0 112.11 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.0 t -149.97 89.91 1.64 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 124.685 1.194 . . . . 0.0 109.383 169.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.25 -111.86 3.89 Favored Glycine 0 CA--C 1.526 0.724 0 O-C-N 121.492 -0.755 . . . . 0.0 111.872 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -91.55 -21.77 20.69 Favored 'General case' 0 CA--C 1.522 -0.117 0 CA-C-N 117.693 0.746 . . . . 0.0 111.556 172.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 mp0 -74.15 144.25 44.94 Favored 'General case' 0 N--CA 1.45 -0.459 0 C-N-CA 123.721 0.809 . . . . 0.0 109.688 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 42.8 t -134.68 113.15 16.2 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 106.6 -1.63 . . . . 0.0 106.6 -176.166 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 46.2 ttt180 -85.96 122.87 30.61 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -130.3 131.3 65.59 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.71 0.804 . . . . 0.0 110.47 -168.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.25 143.84 16.98 Favored Glycine 0 CA--C 1.524 0.64 0 C-N-CA 124.233 0.921 . . . . 0.0 111.761 170.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 56.4 mt -134.42 131.98 54.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 125.328 1.451 . . . . 0.0 108.655 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 48.7 t-20 -133.17 100.71 4.94 Favored 'General case' 0 N--CA 1.449 -0.484 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -172.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.18 155.4 75.96 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.8 1.24 . . . . 0.0 110.588 179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.05 158.4 43.86 Favored 'Trans proline' 0 N--CA 1.452 -0.964 0 C-N-CA 123.009 2.473 . . . . 0.0 111.996 171.667 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -73.02 -0.99 15.44 Favored 'General case' 0 N--CA 1.458 -0.053 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 172.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -66.05 -21.36 66.38 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.397 1.079 . . . . 0.0 111.424 168.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -124.87 159.35 31.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.297 1.039 . . . . 0.0 110.736 179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.22 157.55 16.1 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.125 178.164 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.01 127.95 1.11 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 123.406 0.682 . . . . 0.0 110.123 171.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -150.15 170.88 17.87 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.831 0.852 . . . . 0.0 110.815 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 46.8 mtm105 -71.3 160.58 32.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 169.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -60.3 -32.05 70.85 Favored 'General case' 0 N--CA 1.455 -0.18 0 O-C-N 122.232 -0.292 . . . . 0.0 111.515 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -55.95 -44.41 78.4 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.586 1.155 . . . . 0.0 111.939 173.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -87.83 -33.7 6.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.039 0.936 . . . . 0.0 110.279 -170.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 86.3 t80 -50.84 -34.7 28.95 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.949 1.3 . . . . 0.0 112.839 178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 70.9 mt-30 -59.06 -21.97 59.99 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.329 1.051 . . . . 0.0 112.669 -177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -73.33 -47.36 43.08 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.355 0.662 . . . . 0.0 109.527 175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.498 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.8 mp -65.59 -22.97 31.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 125.326 1.45 . . . . 0.0 110.373 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -85.28 -40.0 17.09 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 115.822 1.786 . . . . 0.0 115.822 169.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.28 -29.62 10.18 Favored 'General case' 0 CA--C 1.528 0.122 0 N-CA-C 116.317 1.969 . . . . 0.0 116.317 -167.064 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -130.64 -23.3 0.99 Allowed Glycine 0 CA--C 1.526 0.734 0 C-N-CA 123.921 0.772 . . . . 0.0 112.94 -169.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 66.59 164.21 0.19 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 128.414 2.686 . . . . 0.0 113.809 169.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 48.6 p -102.81 -3.28 26.57 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 115.278 -0.874 . . . . 0.0 112.635 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.59 135.4 26.84 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.393 1.077 . . . . 0.0 109.908 171.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -63.87 177.42 1.86 Allowed 'Trans proline' 0 N--CA 1.453 -0.901 0 C-N-CA 123.087 2.525 . . . . 0.0 113.868 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 N--CA 1.454 -0.255 0 C-N-CA 124.626 1.171 . . . . 0.0 113.04 -177.382 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.8 tpt . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 110.644 -0.132 . . . . 0.0 110.644 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -93.43 149.64 21.08 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.798 0.439 . . . . 0.0 111.435 172.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -130.57 136.08 59.11 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.383 0 N-CA-C 108.434 -0.95 . . . . 0.0 108.434 169.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -130.23 163.07 27.53 Favored 'General case' 0 N--CA 1.449 -0.509 0 C-N-CA 124.726 1.21 . . . . 0.0 109.624 179.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -127.37 97.72 5.0 Favored 'General case' 0 N--CA 1.452 -0.335 0 CA-C-O 121.195 0.522 . . . . 0.0 109.844 169.12 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? -104.88 135.12 46.82 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 125.057 1.343 . . . . 0.0 109.222 -173.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 38.6 pttt -99.68 167.41 10.58 Favored 'General case' 0 N--CA 1.457 -0.099 0 CA-C-N 119.292 0.951 . . . . 0.0 113.156 174.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.9 m -58.81 136.93 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 CA-C-N 115.325 -0.852 . . . . 0.0 112.395 -169.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.97 -8.44 76.2 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 124.257 0.932 . . . . 0.0 113.739 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 69.3 mm-40 -95.84 175.81 6.36 Favored 'General case' 0 CA--C 1.529 0.144 0 CA-C-N 118.734 1.267 . . . . 0.0 112.287 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 57.9 m -136.7 160.03 40.05 Favored 'General case' 0 C--O 1.231 0.128 0 N-CA-C 113.342 0.867 . . . . 0.0 113.342 -169.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 48.9 mt -138.69 158.86 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 127.159 2.184 . . . . 0.0 107.664 178.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.32 150.95 48.11 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.417 -0.802 . . . . 0.0 112.573 -175.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 mt -137.91 142.13 36.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.634 1.173 . . . . 0.0 109.129 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.08 -132.95 49.03 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.454 -0.658 . . . . 0.0 111.454 -176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -127.85 10.07 6.47 Favored 'General case' 0 N--CA 1.456 -0.175 0 C-N-CA 124.284 1.034 . . . . 0.0 111.901 172.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -139.6 -14.18 1.1 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 113.606 0.965 . . . . 0.0 113.606 -171.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -103.47 136.1 37.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 CA-C-N 118.835 0.743 . . . . 0.0 110.398 -174.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 29.6 m -128.29 141.89 51.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.272 1.029 . . . . 0.0 110.127 175.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.8 mm -121.97 139.99 47.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.365 1.466 . . . . 0.0 108.119 174.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.7 m -135.24 129.54 33.8 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.208 0.603 . . . . 0.0 109.617 178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -85.91 110.87 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 108.462 -0.94 . . . . 0.0 108.462 172.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 26.4 mt -85.35 -26.78 26.3 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.447 0.699 . . . . 0.0 111.218 -170.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.71 -171.75 34.31 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 123.352 0.501 . . . . 0.0 113.29 171.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 6.7 m -126.61 157.32 37.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.118 0 C-N-CA 123.397 0.679 . . . . 0.0 111.983 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -147.83 89.87 1.79 Allowed 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.669 1.188 . . . . 0.0 108.605 169.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.77 -119.01 12.44 Favored Glycine 0 CA--C 1.526 0.764 0 N-CA-C 111.701 -0.56 . . . . 0.0 111.701 -172.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -84.83 -20.12 31.4 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 117.199 0.499 . . . . 0.0 112.307 177.038 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -72.68 143.43 48.1 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-O 121.707 0.765 . . . . 0.0 110.937 174.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 54.2 t -135.89 115.96 17.58 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.406 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 -176.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -86.51 125.33 33.67 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 -177.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.23 139.82 48.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 124.012 0.925 . . . . 0.0 110.096 -168.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.86 140.03 15.84 Favored Glycine 0 CA--C 1.524 0.603 0 C-N-CA 124.211 0.91 . . . . 0.0 111.175 174.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -126.97 140.55 48.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.358 1.063 . . . . 0.0 109.902 177.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -133.58 110.09 9.67 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.363 1.065 . . . . 0.0 109.336 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.95 157.94 77.09 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.632 0.773 . . . . 0.0 111.565 177.242 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.8 Cg_endo -65.74 161.62 38.19 Favored 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.051 2.501 . . . . 0.0 112.169 173.477 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -64.15 -17.22 63.28 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 124.032 0.933 . . . . 0.0 112.617 173.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -67.18 -16.18 64.16 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.068 1.347 . . . . 0.0 112.668 179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -128.11 165.05 28.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.846 0.858 . . . . 0.0 111.135 -178.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.05 160.98 14.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 C-N-CA 123.369 0.667 . . . . 0.0 111.487 173.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -155.03 121.1 0.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 123.305 0.642 . . . . 0.0 110.448 171.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 -151.93 177.71 10.17 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 124.446 1.098 . . . . 0.0 110.18 -179.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 ptt-85 -82.66 164.21 20.88 Favored 'General case' 0 N--CA 1.454 -0.226 0 O-C-N 121.789 -0.569 . . . . 0.0 110.588 169.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -60.89 -23.11 64.96 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 123.534 0.734 . . . . 0.0 112.396 -172.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -66.02 -47.75 73.39 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.074 0.95 . . . . 0.0 111.32 175.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 1.8 mp -77.44 -30.85 17.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.475 0.71 . . . . 0.0 109.99 -176.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 68.9 t80 -55.07 -36.41 65.57 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 123.322 0.649 . . . . 0.0 112.61 178.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -68.46 -26.15 65.35 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.274 0.63 . . . . 0.0 112.428 -177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -72.07 -23.0 61.29 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.513 0.725 . . . . 0.0 110.779 175.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.1 mt -95.52 -47.57 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 C-N-CA 123.806 0.842 . . . . 0.0 109.809 -170.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 65.6 mm-40 -70.37 3.03 3.22 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 113.049 0.759 . . . . 0.0 113.049 177.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.57 -21.2 66.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 124.022 0.929 . . . . 0.0 113.009 170.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 157.21 26.49 0.03 OUTLIER Glycine 0 CA--C 1.526 0.724 0 CA-C-N 118.799 0.727 . . . . 0.0 114.594 170.055 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.1 pp -159.11 -176.18 5.69 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 118.196 0.998 . . . . 0.0 111.05 -169.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 7.5 m -123.85 -33.76 3.11 Favored 'General case' 0 N--CA 1.457 -0.096 0 N-CA-C 112.436 0.532 . . . . 0.0 112.436 175.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . 0.659 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -159.57 -28.97 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.355 0 CA-C-O 117.824 -1.084 . . . . 0.0 113.653 -170.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . 0.659 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 51.7 Cg_exo -73.41 -169.96 0.6 Allowed 'Trans proline' 0 N--CA 1.453 -0.882 0 CA-C-N 120.875 1.348 . . . . 0.0 114.733 -176.637 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t0 . . . . . 0 N--CA 1.452 -0.368 0 C-N-CA 125.239 1.416 . . . . 0.0 110.682 -169.793 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 112.021 3.821 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.701 3.501 . 0.344 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 1 O4'-C1'-N19 112.557 4.357 . 0.634 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 O4'-C1'-N19 111.758 3.558 . 0.25 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 111.501 3.301 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-O4' 114.402 3.716 . 0.04 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.547 ' H42' HG23 ' D' ' 56' ' ' THR . . . . . . . . 0 O4'--C4' 1.418 -2.933 0 O4'-C1'-N19 111.991 3.791 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 C3'-C2'-C1' 104.02 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.301 0 O5'-C5'-C4' 113.236 2.168 . 0.016 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.912 3.791 . 0.129 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 112.182 3.982 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C5'-C4'-C3' 112.302 -2.132 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 1 C5'-C4'-C3' 108.367 -4.755 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 O4'-C1'-N19 110.457 2.257 . 0.53 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.594 3.394 . 0.85 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 O4'-C1'-N19 111.146 2.946 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.241 0 O4'-C1'-N19 112.036 3.836 . 0.757 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C5'-C4'-C3' 110.9 -3.067 . 0.059 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 O4'-C1'-N19 110.854 2.654 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 111.778 3.578 . 0.652 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 1 O4'-C1'-N19 112.512 4.312 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 111.13 2.93 . 0.096 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 O4'-C1'-N19 112.578 4.378 . 0.693 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 O4'-C1'-N19 112.003 3.803 . 0.619 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 C5'-C4'-C3' 109.885 -3.744 . 0.439 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . 0.403 " H1'" ' CG2' ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.001 0 O4'-C1'-N19 111.3 3.1 . 0.418 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.468 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 C5'-C4'-C3' 111.711 -2.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 0 C5'-C4'-C3' 111.819 -2.454 . 0.059 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C5'-C4'-C3' 111.362 -2.758 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.638 3.438 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C4'-C3'-C2' 100.392 -2.308 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.121 0 O4'-C1'-N19 111.318 3.118 . 0.683 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 1 O4'-C1'-N19 112.297 4.097 . 0.864 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 0 C4'-C3'-C2' 99.174 -3.526 . 0.451 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C4'-C3'-C2' 99.634 -3.066 . 0.183 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 O4'-C1'-N19 111.494 3.294 . 0.651 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 P-O3'-C3' 122.529 2.357 . 0.03 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.961 3.761 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.25 0 C3'-C2'-C1' 104.153 2.948 . 0.179 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.263 1 O4'-C1'-N19 112.983 4.783 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.325 1 C5'-C4'-C3' 108.666 -4.556 . 0.029 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.304 0 O4'-C1'-N19 111.732 3.532 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 O4'-C1'-N19 113.611 5.411 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.958 1 O4'-C1'-N19 112.765 4.565 . 0.021 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.179 1 O4'-C1'-N19 112.481 4.281 . 0.229 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 O4'-C1'-N19 111.205 3.005 . 0.383 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.402 3.202 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.285 1 C3'-C2'-C1' 105.318 4.243 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 C4'-C3'-C2' 99.855 -2.845 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 111.095 -2.937 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 0 C5'-C4'-C3' 111.134 -2.911 . 0.398 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.453 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.299 3 O5'-C5'-C4' 117.344 5.103 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.997 1 P-O3'-C3' 126.999 6.082 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 1 O4'-C1'-N19 112.458 4.258 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 100.259 -2.441 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 O4'-C1'-N19 110.941 2.741 . 0.58 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 0 C5'-C4'-C3' 111.113 -2.925 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.978 0 O4'-C1'-N19 112.121 3.921 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 O4'-C1'-N19 112.119 3.919 . 0.221 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 O4'-C1'-N19 111.426 3.226 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 O4'-C1'-N19 111.739 3.539 . 0.348 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 C3'-C2'-C1' 105.126 4.029 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.34 0 C5'-C4'-O4' 114.177 3.555 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 P-O3'-C3' 124.371 3.893 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 P-O3'-C3' 122.49 2.325 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.427 0 C5'-C4'-C3' 112.374 -2.084 . 0.156 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 2 C5'-C4'-C3' 104.704 -7.197 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 P-O3'-C3' 125.787 5.073 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O4'-C1'-N19 111.018 2.818 . 0.772 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 1 O4'-C1'-N19 112.564 4.364 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 0 C4'-C3'-C2' 99.868 -2.832 . 0.471 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 0 O4'-C1'-N19 110.747 2.547 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.4 ttp . . . . . 0 N--CA 1.474 0.745 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.83 119.6 38.9 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.837 0.855 . . . . 0.0 109.609 -177.1 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.66 137.81 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 124.069 0.948 . . . . 0.0 110.724 -178.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.9 mt -136.22 153.96 51.07 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 124.634 1.174 . . . . 0.0 110.25 178.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 32.9 m -127.98 100.98 6.11 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.867 0.867 . . . . 0.0 109.878 -176.046 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 20.2 mmm180 -129.91 146.04 51.62 Favored 'General case' 0 N--CA 1.456 -0.131 0 O-C-N 121.52 -0.737 . . . . 0.0 111.22 -170.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.74 166.27 15.41 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.567 0.747 . . . . 0.0 111.34 -173.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.432 HG13 ' HA2' ' A' ' 24' ' ' GLY . 69.3 t -44.58 129.33 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.832 0.853 . . . . 0.0 110.88 169.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.94 -10.86 72.45 Favored Glycine 0 CA--C 1.527 0.79 0 C-N-CA 124.167 0.889 . . . . 0.0 113.922 177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -84.62 171.27 12.57 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 118.79 1.295 . . . . 0.0 111.75 174.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.5 m -139.94 158.62 43.78 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.221 0.823 . . . . 0.0 113.221 -168.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.41 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 11.8 mm -130.53 156.27 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 126.745 2.018 . . . . 0.0 108.092 -178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -133.44 142.21 48.2 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 124.273 1.029 . . . . 0.0 110.946 -175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.9 mt -134.09 121.58 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 C-N-CA 124.738 1.215 . . . . 0.0 108.187 174.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.415 ' C ' ' H ' ' A' ' 17' ' ' ASP . . . -77.69 10.11 26.16 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 115.821 1.088 . . . . 0.0 115.821 -168.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -73.9 5.23 4.34 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.636 0.718 . . . . 0.0 110.219 165.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . 0.415 ' H ' ' C ' ' A' ' 15' ' ' GLY . 46.9 m-20 88.74 45.21 0.01 OUTLIER 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 130.005 3.322 . . . . 0.0 112.389 -177.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.72 143.44 41.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 121.183 0.516 . . . . 0.0 111.993 176.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 86.9 m -125.29 142.13 51.68 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.275 1.03 . . . . 0.0 109.33 169.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.0 mm -121.81 143.96 32.6 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.531 1.132 . . . . 0.0 108.868 -178.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 24.3 m -135.38 133.96 39.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.695 0.798 . . . . 0.0 109.647 179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -87.09 101.89 11.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 171.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.32 -25.83 58.15 Favored 'General case' 0 N--CA 1.456 -0.165 0 O-C-N 122.032 -0.418 . . . . 0.0 110.47 -174.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.432 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 168.58 -176.62 42.85 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 118.292 0.496 . . . . 0.0 114.174 168.769 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.2 m -126.81 151.96 34.13 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.106 0 C-N-CA 124.092 0.957 . . . . 0.0 111.634 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.7 m -140.92 65.49 1.4 Allowed 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.913 1.285 . . . . 0.0 110.002 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.52 -127.96 11.02 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 110.479 -1.048 . . . . 0.0 110.479 -169.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -79.19 -12.67 59.98 Favored 'General case' 0 N--CA 1.454 -0.236 0 N-CA-C 113.562 0.949 . . . . 0.0 113.562 -178.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.431 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 18.2 pt20 -98.72 130.07 45.19 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 122.772 1.272 . . . . 0.0 110.571 175.149 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 76.9 t -112.71 124.4 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 C-N-CA 126.477 1.911 . . . . 0.0 108.859 -167.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.0 ttt-85 -91.61 101.88 14.51 Favored 'General case' 0 N--CA 1.453 -0.299 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -177.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.7 mt -109.16 133.87 52.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.542 1.137 . . . . 0.0 109.451 -175.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.84 138.69 14.72 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.088 0.851 . . . . 0.0 111.557 171.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 77.0 mt -111.33 135.69 49.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.303 1.441 . . . . 0.0 108.624 178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -123.93 74.95 1.32 Allowed 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 124.229 1.012 . . . . 0.0 109.439 177.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.82 153.46 43.71 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 125.35 1.46 . . . . 0.0 111.116 174.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -74.81 155.12 43.84 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 123.057 2.505 . . . . 0.0 110.515 176.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.7 mtpt -68.79 -3.26 11.69 Favored 'General case' 0 N--CA 1.456 -0.16 0 N-CA-C 112.85 0.685 . . . . 0.0 112.85 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -69.96 -24.64 63.36 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.009 0.924 . . . . 0.0 111.991 169.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m -117.24 143.96 26.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.853 0.835 . . . . 0.0 111.58 174.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.84 142.99 28.51 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.944 0.898 . . . . 0.0 110.843 -178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.5 m -131.62 126.49 57.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 122.826 0.45 . . . . 0.0 110.455 174.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 99.3 m-70 -152.06 155.1 37.27 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.881 0.872 . . . . 0.0 110.038 -174.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.436 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -81.81 167.74 18.73 Favored 'General case' 0 N--CA 1.455 -0.178 0 O-C-N 122.012 -0.43 . . . . 0.0 111.71 170.402 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.21 -34.99 78.83 Favored 'General case' 0 N--CA 1.457 -0.117 0 C-N-CA 123.566 0.746 . . . . 0.0 112.268 -176.101 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.4 tt0 -57.66 -22.19 44.42 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 125.103 1.361 . . . . 0.0 112.875 172.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.458 ' HA ' ' HG2' ' A' ' 50' ' ' ARG . 5.9 mt -124.98 -6.74 6.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 124.769 1.228 . . . . 0.0 110.779 -169.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -79.99 -39.09 30.77 Favored 'General case' 0 N--CA 1.451 -0.4 0 O-C-N 120.539 -1.35 . . . . 0.0 110.744 172.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -71.38 -25.61 62.43 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 123.002 0.521 . . . . 0.0 111.721 -175.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.458 ' HG2' ' HA ' ' A' ' 47' ' ' ILE . 19.2 ptp180 -74.83 -32.06 61.85 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.763 0.825 . . . . 0.0 111.836 173.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.422 HG22 ' NE2' ' A' ' 52' ' ' GLN . 71.6 mt -67.02 -48.68 78.64 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 N-CA-C 109.461 -0.57 . . . . 0.0 109.461 172.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.422 ' NE2' HG22 ' A' ' 51' ' ' ILE . 87.1 mm-40 -82.88 5.14 22.77 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.719 0.808 . . . . 0.0 112.507 -176.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.77 -12.72 56.28 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 123.146 0.578 . . . . 0.0 112.296 172.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.03 -2.84 6.83 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 124.61 1.1 . . . . 0.0 112.926 175.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.537 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.8 pp -91.58 90.77 7.74 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-O 122.781 1.277 . . . . 0.0 110.826 174.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 53.0 p -131.28 -13.04 3.5 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.252 172.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -79.09 156.35 76.79 Favored Pre-proline 0 N--CA 1.452 -0.357 0 C-N-CA 124.262 1.025 . . . . 0.0 110.788 169.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.6 Cg_endo -71.94 166.66 28.91 Favored 'Trans proline' 0 N--CA 1.452 -0.939 0 C-N-CA 123.234 2.623 . . . . 0.0 112.077 175.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.4 t70 . . . . . 0 N--CA 1.451 -0.396 0 C-N-CA 124.421 1.088 . . . . 0.0 111.252 173.646 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.435 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 31.8 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.556 -0.259 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -117.3 120.56 38.59 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 125.206 1.402 . . . . 0.0 107.731 169.302 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.437 HD11 " H5'" ' G' ' 52' ' ' ' A' . 50.8 mt -118.95 140.32 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.149 0 C-N-CA 123.191 0.597 . . . . 0.0 112.522 -164.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -144.39 142.89 30.65 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.69 1.196 . . . . 0.0 111.867 -171.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 26.8 p -89.75 124.38 34.58 Favored 'General case' 0 CA--C 1.521 -0.16 0 N-CA-C 107.714 -1.217 . . . . 0.0 107.714 165.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.3 OUTLIER -123.81 115.92 22.14 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.172 0.589 . . . . 0.0 109.793 179.361 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 71.4 tttt -84.43 148.85 26.35 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 -179.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.407 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 20.5 m -54.78 128.88 15.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 CA-C-O 121.329 0.585 . . . . 0.0 111.212 -170.707 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.06 -9.0 63.34 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.099 -0.834 . . . . 0.0 114.753 -176.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 82.9 mt-10 -83.94 164.85 19.13 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 119.009 1.404 . . . . 0.0 111.455 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 39.4 m -132.45 158.61 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.61 0.764 . . . . 0.0 112.114 -170.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 34.5 mt -138.6 157.45 30.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 125.589 1.555 . . . . 0.0 109.569 -176.125 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -137.12 141.53 42.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.825 0.85 . . . . 0.0 111.053 -173.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 82.9 mt -134.35 129.15 52.82 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 124.325 1.05 . . . . 0.0 109.386 -177.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.98 -132.63 52.65 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.126 -0.789 . . . . 0.0 111.126 -175.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -129.52 5.03 5.12 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.701 0.8 . . . . 0.0 112.878 173.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -114.57 -16.31 11.89 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.39 0.885 . . . . 0.0 113.39 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.66 136.32 56.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 CA-C-N 119.262 0.937 . . . . 0.0 111.665 -169.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -129.75 148.88 51.68 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 125.027 1.331 . . . . 0.0 109.727 170.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -130.77 147.08 33.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 125.928 1.691 . . . . 0.0 108.365 -176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -139.29 134.12 32.16 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 122.969 0.508 . . . . 0.0 110.27 175.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -86.89 93.65 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 172.203 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.6 mt -63.43 -34.85 78.64 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.977 -0.452 . . . . 0.0 110.962 -175.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.407 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 163.46 -174.77 39.73 Favored Glycine 0 C--N 1.336 0.537 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 170.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -113.44 152.96 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 CA-C-O 121.094 0.473 . . . . 0.0 110.314 174.048 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -127.67 73.05 1.42 Allowed 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.57 1.148 . . . . 0.0 108.677 173.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.26 -120.19 5.07 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.848 -0.901 . . . . 0.0 110.848 -171.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -97.98 12.21 34.97 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.682 0.793 . . . . 0.0 111.19 172.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -98.84 152.65 19.49 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 124.047 0.939 . . . . 0.0 109.703 170.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 24.3 t -133.5 115.38 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 -173.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.54 117.54 25.39 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 125.269 1.427 . . . . 0.0 109.23 179.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -127.23 131.94 70.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.076 0.95 . . . . 0.0 109.672 -169.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.92 137.15 13.09 Favored Glycine 0 CA--C 1.522 0.507 0 N-CA-C 111.546 -0.622 . . . . 0.0 111.546 171.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 44.8 mt -123.34 130.12 74.42 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 C-N-CA 123.908 0.883 . . . . 0.0 109.189 178.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.6 t-20 -132.65 76.34 1.68 Allowed 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.575 -167.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.06 157.14 56.05 Favored Pre-proline 0 N--CA 1.451 -0.421 0 CA-C-N 113.945 -1.48 . . . . 0.0 109.258 174.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_endo -58.84 154.88 41.08 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.686 1.591 . . . . 0.0 109.674 168.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.36 -0.76 8.8 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.975 0.91 . . . . 0.0 111.197 174.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -65.82 -23.76 66.76 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.546 1.938 . . . . 0.0 111.352 172.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -112.89 144.15 21.15 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.796 1.238 . . . . 0.0 109.99 176.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.64 140.0 30.93 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.233 0.54 . . . . 0.0 111.805 172.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 8.4 t -143.44 102.85 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.68 -166.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.409 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.9 OUTLIER -146.46 175.89 10.21 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 124.471 1.108 . . . . 0.0 110.981 179.639 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.41 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -82.11 163.48 21.98 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 122.865 0.466 . . . . 0.0 111.207 168.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -53.55 -41.27 66.29 Favored 'General case' 0 CA--C 1.527 0.065 0 C-N-CA 123.469 0.708 . . . . 0.0 112.049 -178.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -48.57 -43.92 36.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.063 0.545 . . . . 0.0 111.399 177.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.1 mm -83.57 -47.91 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 C-N-CA 125.278 1.431 . . . . 0.0 110.167 -172.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -48.96 -37.65 20.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 C-N-CA 124.65 1.18 . . . . 0.0 111.754 178.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -67.85 -25.91 65.77 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.734 0.814 . . . . 0.0 113.13 -176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.474 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.9 mpt_? -81.77 -39.54 23.96 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.154 0.888 . . . . 0.0 110.587 171.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.532 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.3 mt -63.68 -40.46 89.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 -175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.532 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.3 mm-40 -79.95 5.01 15.08 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 113.294 0.85 . . . . 0.0 113.294 173.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.474 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -81.52 -14.82 56.46 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 123.201 0.6 . . . . 0.0 112.04 169.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.48 45.45 0.13 Allowed Glycine 0 C--N 1.339 0.706 0 CA-C-O 119.554 -0.581 . . . . 0.0 114.177 169.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -175.42 2.31 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 117.804 0.802 . . . . 0.0 112.737 -168.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 42.0 p -128.77 179.32 5.77 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.278 1.431 . . . . 0.0 109.325 167.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.27 120.51 1.28 Allowed Pre-proline 0 CA--C 1.53 0.197 0 C-N-CA 124.345 1.058 . . . . 0.0 111.499 178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -62.35 169.34 8.16 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 C-N-CA 122.644 2.23 . . . . 0.0 114.309 -169.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.1 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.633 1.173 . . . . 0.0 112.584 176.698 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 21.7 tpp . . . . . 0 N--CA 1.475 0.777 0 CA-C-O 119.326 -0.369 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.73 110.99 22.18 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 124.093 0.957 . . . . 0.0 108.904 171.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -83.55 133.55 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 123.815 0.846 . . . . 0.0 109.534 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -126.12 137.66 53.62 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 124.116 0.966 . . . . 0.0 110.097 169.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 39.9 p -98.1 144.74 27.27 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.067 0.547 . . . . 0.0 110.257 169.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.458 HH21 ' HA ' ' C' ' 11' ' ' SER . 0.0 OUTLIER -146.08 152.34 39.17 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 123.63 0.772 . . . . 0.0 111.031 176.729 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.49 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 3.3 tptm -91.94 161.13 14.94 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 123.961 0.904 . . . . 0.0 109.383 170.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 16.6 m -58.88 139.96 17.87 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 CA-C-N 118.897 0.771 . . . . 0.0 111.93 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 83.51 -1.17 89.13 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.857 1.218 . . . . 0.0 114.769 -175.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 91.6 mt-10 -84.01 -175.34 5.76 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 119.789 1.795 . . . . 0.0 112.945 179.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . 0.458 ' HA ' HH21 ' C' ' 6' ' ' ARG . 69.3 m -144.25 146.05 32.42 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 114.989 1.477 . . . . 0.0 114.989 -164.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 6.1 mm -138.83 153.17 25.0 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.23 0 C-N-CA 127.094 2.158 . . . . 0.0 108.969 -173.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.6 m120 -130.45 148.69 52.29 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 124.818 1.247 . . . . 0.0 111.797 179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 70.9 mt -136.33 140.42 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 124.721 1.208 . . . . 0.0 109.255 173.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -135.8 51.3 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.152 -0.779 . . . . 0.0 111.152 -173.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -126.61 10.04 7.16 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.765 0.826 . . . . 0.0 111.35 169.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -128.66 -10.24 5.02 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.307 1.043 . . . . 0.0 112.769 -172.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -119.08 135.32 59.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.437 0.695 . . . . 0.0 110.532 -174.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 94.4 m -133.84 144.56 49.02 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 124.821 1.248 . . . . 0.0 108.702 175.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 7.8 mt -135.25 136.69 51.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 -176.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 12.9 m -121.67 134.05 54.97 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 124.349 1.06 . . . . 0.0 110.157 -176.152 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -84.82 120.34 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 107.688 -1.227 . . . . 0.0 107.688 169.088 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 4.5 mt -93.9 -34.67 13.02 Favored 'General case' 0 N--CA 1.451 -0.376 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 -173.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.55 -175.81 41.2 Favored Glycine 0 CA--C 1.524 0.647 0 CA-C-O 120.394 -0.114 . . . . 0.0 113.17 167.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.4 m -118.35 152.76 20.46 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.176 0.59 . . . . 0.0 110.709 174.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 34.9 t -145.2 103.72 3.88 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.668 1.187 . . . . 0.0 107.839 172.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.86 -131.92 26.13 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 -169.094 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -88.04 -3.76 58.86 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.701 0.801 . . . . 0.0 113.011 170.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -82.16 147.33 29.08 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 123.243 0.617 . . . . 0.0 110.111 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 43.3 t -131.43 112.4 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.49 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -76.76 110.35 11.28 Favored 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 172.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -116.53 133.3 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.784 1.234 . . . . 0.0 109.484 179.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.26 129.16 9.54 Favored Glycine 0 C--N 1.337 0.599 0 C-N-CA 123.909 0.766 . . . . 0.0 111.813 175.021 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 49.8 mt -109.22 127.54 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.563 1.145 . . . . 0.0 108.505 -178.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -119.78 96.06 5.03 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.633 0.773 . . . . 0.0 109.909 179.389 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.05 154.43 81.31 Favored Pre-proline 0 N--CA 1.452 -0.374 0 C-N-CA 124.319 1.048 . . . . 0.0 110.345 178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -64.11 152.54 80.66 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 122.846 2.364 . . . . 0.0 111.077 171.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmp? -66.63 -0.94 3.18 Favored 'General case' 0 CA--C 1.528 0.12 0 C-N-CA 123.261 0.624 . . . . 0.0 112.649 172.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.86 -22.16 66.51 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.285 1.034 . . . . 0.0 111.115 168.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.5 m -125.08 150.44 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.402 1.081 . . . . 0.0 110.716 175.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.62 155.54 20.39 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 122.879 0.472 . . . . 0.0 111.434 177.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.7 m -138.51 127.98 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.085 0 C-N-CA 123.185 0.594 . . . . 0.0 109.758 169.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 79.0 m-70 -154.17 151.81 29.66 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 122.959 0.504 . . . . 0.0 111.528 179.754 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 34.1 ptt-85 -71.37 160.76 32.19 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 122.174 -0.329 . . . . 0.0 110.367 168.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -60.0 -33.04 71.45 Favored 'General case' 0 CA--C 1.529 0.143 0 N-CA-C 113.19 0.811 . . . . 0.0 113.19 -168.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -74.18 -20.57 60.17 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 178.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 46.1 mm -97.57 -33.25 4.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.143 0 C-N-CA 123.778 0.831 . . . . 0.0 110.797 175.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -57.2 -38.19 73.32 Favored 'General case' 0 N--CA 1.453 -0.3 0 O-C-N 121.457 -0.777 . . . . 0.0 111.759 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 44.9 mt-30 -63.97 -29.89 71.01 Favored 'General case' 0 N--CA 1.454 -0.241 0 O-C-N 121.902 -0.499 . . . . 0.0 112.041 179.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 42.1 ttm180 -69.74 -34.09 73.34 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.123 0.969 . . . . 0.0 111.625 175.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 5.0 mm -62.03 -24.29 34.11 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.103 0 C-N-CA 123.506 0.722 . . . . 0.0 110.629 173.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -103.78 2.0 32.34 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.931 0.892 . . . . 0.0 111.84 -173.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.21 -5.84 59.31 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 113.458 -173.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.71 114.75 2.91 Favored Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 -171.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' C' ' 57' ' ' ALA . 0.9 OUTLIER -160.71 173.36 15.54 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.241 1.016 . . . . 0.0 111.662 -168.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.0 p -98.2 4.7 48.92 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.03 0.932 . . . . 0.0 113.263 -174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.408 ' H ' ' HG ' ' C' ' 55' ' ' LEU . . . -68.31 -29.8 2.32 Favored Pre-proline 0 N--CA 1.453 -0.282 0 N-CA-C 115.059 1.503 . . . . 0.0 115.059 179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 44.7 Cg_exo -65.91 175.36 4.67 Favored 'Trans proline' 0 N--CA 1.454 -0.815 0 C-N-CA 122.213 1.942 . . . . 0.0 113.917 176.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t0 . . . . . 0 N--CA 1.454 -0.249 0 C-N-CA 123.873 0.869 . . . . 0.0 112.353 -179.783 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.511 ' HG2' HD11 ' D' ' 3' ' ' ILE . 3.8 tpp . . . . . 0 N--CA 1.474 0.741 0 N-CA-C 109.94 -0.393 . . . . 0.0 109.94 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -118.72 107.63 13.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 125.002 1.321 . . . . 0.0 109.138 172.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.511 HD11 ' HG2' ' D' ' 1' ' ' MET . 5.2 mp -100.12 139.64 21.14 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.119 1.367 . . . . 0.0 110.001 -175.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 89.3 mt -140.18 163.7 32.05 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 125.269 1.428 . . . . 0.0 110.985 176.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 7.6 p -103.93 119.28 38.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 163.406 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.418 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.3 OUTLIER -107.24 130.15 54.78 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.134 0.573 . . . . 0.0 110.755 170.236 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.7 mmtp -79.87 158.33 26.75 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.316 0.507 . . . . 0.0 110.414 169.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 34.6 m -56.57 138.46 17.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 CA-C-O 121.089 0.471 . . . . 0.0 111.58 174.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.96 -2.23 85.49 Favored Glycine 0 CA--C 1.528 0.851 0 C-N-CA 124.24 0.924 . . . . 0.0 114.151 178.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -98.6 177.73 5.23 Favored 'General case' 0 C--O 1.231 0.12 0 CA-C-N 118.833 1.316 . . . . 0.0 112.13 178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 36.1 m -138.86 160.3 40.04 Favored 'General case' 0 C--O 1.231 0.097 0 N-CA-C 113.224 0.824 . . . . 0.0 113.224 -169.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 59.4 mt -138.96 154.87 26.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 126.607 1.963 . . . . 0.0 108.881 179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.1 m-80 -123.99 150.09 45.24 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 123.99 0.916 . . . . 0.0 111.299 176.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -134.74 136.83 51.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.146 1.379 . . . . 0.0 109.134 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.42 -132.36 51.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.665 -0.974 . . . . 0.0 110.665 -171.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -130.03 10.03 5.38 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.262 0.625 . . . . 0.0 112.056 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -129.03 -7.17 4.91 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.801 0.84 . . . . 0.0 113.078 -175.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -118.06 134.73 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 123.401 0.68 . . . . 0.0 110.316 -175.151 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -127.51 146.66 50.43 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 124.207 1.003 . . . . 0.0 110.01 176.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -125.86 141.47 45.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 125.406 1.482 . . . . 0.0 108.277 177.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 19.4 m -135.89 123.11 21.72 Favored 'General case' 0 N--CA 1.455 -0.22 0 C-N-CA 123.384 0.674 . . . . 0.0 109.521 179.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -83.89 101.01 7.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 43.1 mt -73.6 -31.74 63.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.257 0.623 . . . . 0.0 110.641 -170.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.04 -179.2 40.34 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 122.678 0.18 . . . . 0.0 112.71 173.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 12.3 m -108.1 159.47 7.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 123.109 0.564 . . . . 0.0 110.141 168.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.2 m -139.6 76.45 1.56 Allowed 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 123.494 0.717 . . . . 0.0 109.419 170.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.19 -114.28 3.82 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.236 -0.746 . . . . 0.0 111.236 -172.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.49 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.5 mp0 -93.49 -3.52 52.82 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.414 0.686 . . . . 0.0 110.403 173.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 59.6 mt-30 -74.63 154.85 38.34 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.341 0.591 . . . . 0.0 112.197 169.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.61 116.85 25.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 C-N-CA 125.969 1.708 . . . . 0.0 106.714 171.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ttm-85 -97.49 115.05 27.06 Favored 'General case' 0 N--CA 1.455 -0.19 0 C-N-CA 124.754 1.222 . . . . 0.0 108.445 -176.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -126.85 125.0 65.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 122.834 0.454 . . . . 0.0 111.104 -167.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.81 140.83 17.43 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 170.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . 0.403 HG21 HG21 ' D' ' 42' ' ' VAL . 64.7 mt -131.14 139.17 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.293 -1.003 . . . . 0.0 108.293 -179.12 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -138.0 99.12 3.81 Favored 'General case' 0 N--CA 1.451 -0.413 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 -170.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.6 155.5 80.49 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 124.555 1.142 . . . . 0.0 109.537 -179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 31.0 Cg_endo -62.17 151.4 82.25 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.153 1.902 . . . . 0.0 110.732 169.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 16.9 mmmt -69.62 -0.99 7.67 Favored 'General case' 0 N--CA 1.456 -0.133 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 174.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -67.58 -21.66 65.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.796 1.238 . . . . 0.0 111.283 168.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -126.65 160.0 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.439 1.096 . . . . 0.0 110.682 175.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.22 157.05 17.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.197 0.599 . . . . 0.0 112.173 -175.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . 0.403 HG21 HG21 ' D' ' 34' ' ' ILE . 0.8 OUTLIER -149.08 127.6 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.082 0 O-C-N 121.7 -0.625 . . . . 0.0 111.216 170.128 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -153.17 172.82 16.35 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 124.117 0.967 . . . . 0.0 111.522 179.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 50.7 mtp85 -69.76 164.09 24.31 Favored 'General case' 0 N--CA 1.457 -0.112 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 166.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -60.06 -39.11 84.85 Favored 'General case' 0 N--CA 1.457 -0.109 0 CA-C-N 118.264 0.484 . . . . 0.0 111.333 169.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 -50.03 -43.68 50.94 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 123.799 0.84 . . . . 0.0 112.613 172.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 29.2 mm -90.55 -35.1 6.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 124.316 1.046 . . . . 0.0 110.521 -170.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -57.12 -43.41 82.33 Favored 'General case' 0 N--CA 1.449 -0.518 0 C-N-CA 123.838 0.855 . . . . 0.0 110.456 169.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -66.19 -23.46 66.45 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.496 0.718 . . . . 0.0 112.724 179.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.448 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 15.0 mtt85 -77.15 -41.45 41.7 Favored 'General case' 0 CA--C 1.52 -0.183 0 C-N-CA 123.352 0.661 . . . . 0.0 110.897 170.087 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.418 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 63.0 mt -67.59 -29.47 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.376 0 CA-C-O 120.917 0.389 . . . . 0.0 110.604 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.66 1.99 50.03 Favored 'General case' 0 N--CA 1.452 -0.356 0 C-N-CA 124.402 1.081 . . . . 0.0 111.089 174.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.448 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -85.52 1.32 49.43 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 124.674 1.19 . . . . 0.0 112.891 177.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.71 42.09 0.97 Allowed Glycine 0 CA--C 1.526 0.749 0 CA-C-N 118.472 0.578 . . . . 0.0 113.789 171.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.418 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.2 pp -159.7 -176.37 5.7 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.832 0.853 . . . . 0.0 111.416 -169.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 39.9 m -117.97 -65.27 1.2 Allowed 'General case' 0 N--CA 1.457 -0.099 0 CA-C-O 118.994 -0.526 . . . . 0.0 110.433 167.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.45 108.51 1.09 Allowed Pre-proline 0 N--CA 1.455 -0.219 0 C-N-CA 123.898 0.879 . . . . 0.0 109.447 168.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo -66.58 174.12 6.87 Favored 'Trans proline' 0 N--CA 1.453 -0.902 0 C-N-CA 122.545 2.163 . . . . 0.0 114.966 -177.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 35.8 t0 . . . . . 0 N--CA 1.452 -0.36 0 C-N-CA 125.15 1.38 . . . . 0.0 111.74 -176.382 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 14.6 tpt . . . . . 0 N--CA 1.475 0.794 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -103.9 120.11 40.33 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -179.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 96.4 mt -129.04 136.71 59.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.675 0.79 . . . . 0.0 109.563 -170.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 90.6 mt -137.55 163.86 30.15 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 125.073 1.349 . . . . 0.0 111.036 -171.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.3 m -126.76 98.99 5.58 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 167.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tpm_? -105.03 133.45 49.79 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.701 1.6 . . . . 0.0 109.262 -174.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 60.3 pttt -99.86 167.62 10.4 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-N 120.347 1.431 . . . . 0.0 112.889 170.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 9.5 m -58.4 138.73 19.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.698 -169.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.93 -4.7 85.57 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 123.936 0.779 . . . . 0.0 114.114 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 60.0 mt-10 -93.07 178.76 5.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.641 1.221 . . . . 0.0 111.469 176.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 59.2 m -138.18 159.84 40.98 Favored 'General case' 0 C--N 1.339 0.126 0 N-CA-C 113.516 0.932 . . . . 0.0 113.516 -170.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 88.0 mt -138.81 157.12 29.28 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 126.891 2.076 . . . . 0.0 108.379 -179.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -137.14 149.1 47.08 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.458 -0.776 . . . . 0.0 112.984 -174.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 42.1 mt -138.2 141.71 37.34 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.534 1.134 . . . . 0.0 109.358 -179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.02 48.92 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.482 -0.647 . . . . 0.0 111.482 -178.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -126.73 8.13 6.88 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.996 0.918 . . . . 0.0 111.754 171.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -137.29 -3.13 1.96 Allowed 'General case' 0 N--CA 1.455 -0.219 0 N-CA-C 113.202 0.816 . . . . 0.0 113.202 -171.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.99 134.32 61.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-N 118.856 0.753 . . . . 0.0 110.679 -175.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 62.3 m -128.86 142.57 50.92 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 124.33 1.052 . . . . 0.0 109.964 177.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.9 mm -123.86 140.24 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.126 1.37 . . . . 0.0 108.178 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 35.3 m -135.71 129.59 32.89 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.051 0.541 . . . . 0.0 109.934 177.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.34 104.24 12.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 175.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -74.25 -28.03 61.03 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 122.81 0.444 . . . . 0.0 111.187 -174.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.92 -172.76 34.54 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 123.424 0.535 . . . . 0.0 113.704 169.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 10.6 m -120.13 156.93 22.87 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.07 0 C-N-CA 123.923 0.889 . . . . 0.0 111.91 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 57.9 m -144.82 89.92 2.02 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.928 1.291 . . . . 0.0 109.029 169.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.75 -112.32 4.86 Favored Glycine 0 CA--C 1.526 0.773 0 O-C-N 121.469 -0.77 . . . . 0.0 111.539 -174.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.2 mm100 -90.43 -21.74 21.77 Favored 'General case' 0 CA--C 1.521 -0.159 0 CA-C-N 117.881 0.84 . . . . 0.0 111.579 174.028 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -69.24 145.65 52.97 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 121.315 0.579 . . . . 0.0 110.449 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -137.71 114.74 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 N-CA-C 107.343 -1.354 . . . . 0.0 107.343 -177.04 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 26.7 ttm180 -88.29 123.17 32.62 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 -178.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -130.16 134.82 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 123.755 0.822 . . . . 0.0 110.475 -168.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.06 141.02 15.16 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 124.579 1.085 . . . . 0.0 111.449 171.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 66.0 mt -130.87 128.58 62.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 125.045 1.338 . . . . 0.0 108.932 -178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.5 t-20 -130.14 98.99 4.9 Favored 'General case' 0 N--CA 1.45 -0.436 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -172.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.24 154.87 75.96 Favored Pre-proline 0 N--CA 1.452 -0.331 0 C-N-CA 124.757 1.223 . . . . 0.0 110.596 179.303 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.71 157.75 40.92 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 122.942 2.428 . . . . 0.0 112.097 173.006 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -71.62 -0.97 12.01 Favored 'General case' 0 N--CA 1.457 -0.097 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 171.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.37 -21.78 66.24 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.481 1.112 . . . . 0.0 111.714 169.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.8 157.64 27.8 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 124.245 1.018 . . . . 0.0 110.393 179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.05 161.18 14.09 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 112.126 0.417 . . . . 0.0 112.126 177.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 129.83 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.114 0 C-N-CA 122.766 0.427 . . . . 0.0 110.749 170.272 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -150.73 169.12 22.39 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 124.41 1.084 . . . . 0.0 110.279 174.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 62.1 ttt180 -64.86 151.83 44.53 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 168.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -58.1 -27.93 64.14 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.639 0.654 . . . . 0.0 111.254 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -59.56 -46.0 90.19 Favored 'General case' 0 N--CA 1.452 -0.37 0 C-N-CA 124.394 1.078 . . . . 0.0 111.117 175.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -78.45 -39.54 23.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 123.732 0.813 . . . . 0.0 109.952 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -56.44 -36.3 68.85 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.312 0.645 . . . . 0.0 111.839 177.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 56.6 mt-30 -71.01 -21.9 62.22 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.69 0.626 . . . . 0.0 112.69 -177.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -72.04 -24.43 61.54 Favored 'General case' 0 C--N 1.338 0.098 0 CA-C-N 118.801 0.728 . . . . 0.0 111.23 171.121 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 58.9 mt -95.63 -28.72 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 125.164 1.386 . . . . 0.0 110.138 -174.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 68.8 mm-40 -85.21 3.16 40.6 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 174.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.91 4.07 1.3 Allowed 'General case' 0 N--CA 1.454 -0.241 0 N-CA-C 114.336 1.236 . . . . 0.0 114.336 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 112.09 39.76 1.24 Allowed Glycine 0 C--N 1.338 0.663 0 CA-C-N 118.924 0.784 . . . . 0.0 113.062 175.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -160.33 -34.57 0.05 Allowed 'General case' 0 N--CA 1.455 -0.196 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -166.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 2.0 m 49.9 45.32 25.12 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 124.636 1.174 . . . . 0.0 111.989 -168.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -151.04 123.0 3.96 Favored Pre-proline 0 N--CA 1.452 -0.341 0 C-N-CA 124.387 1.075 . . . . 0.0 109.656 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_exo -55.43 -40.97 82.62 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 123.108 2.539 . . . . 0.0 113.683 179.845 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 34.1 t70 . . . . . 0 N--CA 1.453 -0.317 0 C-N-CA 122.952 0.501 . . . . 0.0 111.952 -169.103 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -98.63 149.0 23.25 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.061 0.544 . . . . 0.0 111.457 175.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -126.68 135.45 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.915 0.886 . . . . 0.0 108.858 170.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.6 mt -134.49 161.22 35.65 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 124.847 1.259 . . . . 0.0 109.951 178.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 1.5 m -125.6 101.99 7.15 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 168.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -108.26 132.93 53.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 125.767 1.627 . . . . 0.0 111.075 -174.676 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 8.8 ptpp? -97.43 166.87 11.33 Favored 'General case' 0 C--N 1.338 0.096 0 CA-C-N 119.692 1.133 . . . . 0.0 113.432 175.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 6.3 m -57.32 136.57 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.946 -1.025 . . . . 0.0 112.78 -169.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.09 -7.04 78.94 Favored Glycine 0 CA--C 1.526 0.729 0 C-N-CA 124.257 0.932 . . . . 0.0 113.784 178.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -93.68 174.22 7.29 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 118.707 1.254 . . . . 0.0 112.404 178.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 67.0 m -138.73 161.15 37.91 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 -169.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -142.25 152.94 18.2 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.155 0 C-N-CA 126.613 1.965 . . . . 0.0 108.103 -176.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -120.56 147.92 44.54 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.728 0.811 . . . . 0.0 111.674 179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 56.0 mt -135.55 140.51 44.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.731 1.212 . . . . 0.0 109.503 174.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.83 -132.27 43.55 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.766 -0.934 . . . . 0.0 110.766 -173.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -130.08 9.99 5.35 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.503 0.721 . . . . 0.0 111.705 169.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -137.41 -17.84 1.3 Allowed 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.674 0.789 . . . . 0.0 113.101 -172.166 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.66 132.75 45.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 118.733 0.697 . . . . 0.0 109.925 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 5.0 m -123.84 143.6 50.24 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.662 0.785 . . . . 0.0 110.167 176.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 23.8 mm -122.87 143.05 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.448 1.499 . . . . 0.0 108.344 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.9 m -138.88 131.79 29.41 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.368 0.667 . . . . 0.0 109.917 178.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -89.29 110.96 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 169.772 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.5 mt -83.19 -33.37 26.17 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.006 0.523 . . . . 0.0 110.754 -172.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.66 -172.19 40.32 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 114.019 0.368 . . . . 0.0 114.019 173.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.61 159.08 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.706 0.803 . . . . 0.0 112.013 177.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -150.06 89.94 1.64 Allowed 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 125.022 1.329 . . . . 0.0 108.996 169.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.45 -115.27 5.89 Favored Glycine 0 CA--C 1.526 0.744 0 N-CA-C 111.624 -0.591 . . . . 0.0 111.624 -174.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -88.22 -23.64 23.5 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 117.398 0.599 . . . . 0.0 111.556 174.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -73.64 146.9 44.24 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-O 121.684 0.754 . . . . 0.0 110.955 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 40.5 t -137.94 119.63 17.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.414 0 N-CA-C 106.899 -1.519 . . . . 0.0 106.899 -171.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -82.33 116.77 21.98 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.683 0.793 . . . . 0.0 109.048 178.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.76 138.51 54.55 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.112 0 C-N-CA 123.493 0.717 . . . . 0.0 110.276 -172.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -121.36 143.97 16.33 Favored Glycine 0 CA--C 1.525 0.674 0 C-N-CA 124.186 0.898 . . . . 0.0 112.025 176.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -131.89 138.28 53.04 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.103 1.361 . . . . 0.0 109.784 177.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 58.7 t-20 -126.8 107.0 9.73 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 124.874 1.27 . . . . 0.0 109.054 179.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.29 157.24 75.09 Favored Pre-proline 0 N--CA 1.454 -0.258 0 C-N-CA 123.773 0.829 . . . . 0.0 111.589 -178.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -64.6 161.7 34.34 Favored 'Trans proline' 0 N--CA 1.451 -1.025 0 C-N-CA 122.923 2.415 . . . . 0.0 112.018 172.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -71.48 -5.08 30.37 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.449 0.7 . . . . 0.0 112.613 172.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -70.33 -19.55 63.06 Favored 'General case' 0 N--CA 1.452 -0.327 0 C-N-CA 124.742 1.217 . . . . 0.0 112.485 172.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -129.11 166.3 26.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 123.965 0.906 . . . . 0.0 111.127 -177.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -102.83 163.11 12.41 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.81 0.844 . . . . 0.0 111.193 173.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.06 127.01 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.33 0.652 . . . . 0.0 110.36 171.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -152.08 176.08 11.9 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.964 0.906 . . . . 0.0 110.335 175.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.4 ptt-85 -79.07 163.37 25.19 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 168.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -58.07 -32.23 67.84 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.976 0.51 . . . . 0.0 112.266 -171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -56.51 -44.82 81.14 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.218 1.007 . . . . 0.0 111.732 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 24.8 mm -91.06 -29.28 4.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.769 0.828 . . . . 0.0 110.491 -169.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -50.86 -35.94 35.18 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.118 0.967 . . . . 0.0 112.752 175.253 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 71.8 mt-30 -59.57 -21.94 61.04 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.322 1.049 . . . . 0.0 112.647 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 9.6 mpt_? -77.8 -22.96 49.27 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.753 0.821 . . . . 0.0 110.644 179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.51 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.1 mp -95.42 -24.44 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.702 1.201 . . . . 0.0 109.628 -178.004 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -85.41 -52.08 6.11 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 116.509 2.04 . . . . 0.0 116.509 169.265 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.94 -11.49 19.7 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 117.04 2.237 . . . . 0.0 117.04 -164.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -141.29 -26.76 0.2 Allowed Glycine 0 CA--C 1.525 0.667 0 CA-C-N 119.309 0.959 . . . . 0.0 112.985 -175.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 65.77 159.24 0.12 Allowed 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 128.681 2.792 . . . . 0.0 113.348 176.516 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 7.4 t -96.99 1.13 49.9 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.211 -0.904 . . . . 0.0 112.741 -178.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -137.98 134.29 17.92 Favored Pre-proline 0 N--CA 1.452 -0.365 0 C-N-CA 124.214 1.006 . . . . 0.0 109.838 171.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -65.47 -179.87 1.36 Allowed 'Trans proline' 0 N--CA 1.452 -0.92 0 C-N-CA 123.044 2.496 . . . . 0.0 113.246 171.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t70 . . . . . 0 N--CA 1.455 -0.215 0 C-N-CA 124.317 1.047 . . . . 0.0 112.546 176.027 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 O4'-C1'-N19 111.649 3.449 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.628 3.428 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.595 4.395 . 0.592 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 0 O4'-C1'-N19 111.904 3.704 . 0.226 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.445 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C5'-C4'-C3' 110.234 -3.51 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.445 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.155 1 C5'-C4'-C3' 108.903 -4.398 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 C5'-C4'-C3' 108.378 -4.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C3'-C2'-C1' 104.019 2.799 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 O5'-C5'-C4' 113.444 2.317 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.79 3.656 . 0.112 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.919 3.719 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.975 0 C5'-C4'-C3' 112.211 -2.193 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.995 1 C5'-C4'-C3' 108.584 -4.61 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.216 0 C4'-C3'-C2' 100.127 -2.573 . 0.464 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.753 3.553 . 0.811 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 111.223 3.023 . 0.431 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.291 0 O4'-C1'-N19 112.042 3.842 . 0.71 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C5'-C4'-C3' 110.573 -3.284 . 0.132 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.016 2.816 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 O4'-C1'-N19 111.859 3.659 . 0.734 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 1 O4'-C1'-N19 112.68 4.48 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 O4'-C1'-N19 111.035 2.835 . 0.033 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.89 4.69 . 0.645 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 112.106 3.906 . 0.538 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.021 0 C5'-C4'-C3' 110.173 -3.551 . 0.374 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.986 0 O4'-C1'-N19 111.005 2.805 . 0.364 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.409 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 C5'-C4'-C3' 111.87 -2.42 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 C5'-C4'-C3' 112.033 -2.311 . 0.071 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 0 C5'-C4'-C3' 111.403 -2.731 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 1 C5'-C4'-C3' 109.166 -4.223 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 1 P-O3'-C3' 125.271 4.643 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 O4'-C1'-N19 111.345 3.145 . 0.612 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 1 O4'-C1'-N19 112.238 4.038 . 0.854 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 C4'-C3'-C2' 99.052 -3.648 . 0.486 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 C4'-C3'-C2' 99.699 -3.001 . 0.262 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.819 3.619 . 0.678 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 109.867 -3.756 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 C5'-C4'-C3' 110.608 -3.261 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 0 C3'-C2'-C1' 104.166 2.963 . 0.214 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 1 O4'-C1'-N19 113.12 4.92 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 1 C5'-C4'-C3' 109.255 -4.163 . 0.021 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 2 C3'-C2'-C1' 106.305 5.339 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 1 O4'-C1'-N19 112.987 4.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 113.04 4.84 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.744 4.544 . 0.418 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 C4'-C3'-C2' 99.779 -2.921 . 0.511 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.396 3.196 . 0.669 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 1 C3'-C2'-C1' 105.488 4.431 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 C4'-C3'-C2' 99.975 -2.725 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C5'-C4'-C3' 111.071 -2.953 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.346 0 C5'-C4'-C3' 110.994 -3.004 . 0.394 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.437 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.294 3 O5'-C5'-C4' 117.817 5.441 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 1 P-O3'-C3' 127.009 6.091 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 O4'-C1'-N19 112.196 3.996 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C4'-C3'-C2' 99.898 -2.802 . 0.544 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 111.203 3.003 . 0.715 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 C5'-C4'-C3' 111.557 -2.629 . 0.806 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.3 3.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 O4'-C1'-N19 111.992 3.792 . 0.121 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 111.278 3.078 . 0.219 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 O4'-C1'-N19 111.857 3.657 . 0.45 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 O4'-C1'-N19 112.119 3.919 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C3'-C2'-C1' 104.129 2.921 . 0.389 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 C4'-C3'-C2' 99.218 -3.482 . 0.012 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 110.571 2.371 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.437 0 C5'-C4'-C3' 110.624 -3.251 . 0.155 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.276 2 C5'-C4'-C3' 105.692 -6.539 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 1 P-O3'-C3' 125.926 5.188 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 O4'-C1'-N19 110.958 2.758 . 0.769 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.613 4.413 . 0.477 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 0 C4'-C3'-C2' 99.734 -2.966 . 0.349 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 0 O4'-C1'-N19 111.176 2.976 . 0.696 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.6 ttp . . . . . 0 N--CA 1.474 0.765 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.21 113.97 25.63 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.697 0.799 . . . . 0.0 109.745 -176.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -98.12 134.34 36.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 123.531 0.732 . . . . 0.0 109.412 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 73.5 mt -131.2 158.8 39.56 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.192 0.997 . . . . 0.0 109.909 173.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.7 m -128.09 100.89 6.05 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.706 0.802 . . . . 0.0 108.93 -178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 mtp180 -122.57 156.54 34.01 Favored 'General case' 0 N--CA 1.456 -0.171 0 O-C-N 121.932 -0.48 . . . . 0.0 111.251 -177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 21.7 mttt -108.82 163.16 13.52 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 124.316 1.047 . . . . 0.0 110.395 -168.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.41 HG13 ' HA2' ' A' ' 24' ' ' GLY . 77.6 t -48.23 128.85 4.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.18 0 C-N-CA 122.736 0.414 . . . . 0.0 111.124 -179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.12 -4.15 74.02 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.142 0.877 . . . . 0.0 113.976 178.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 61.9 mt-10 -95.82 169.91 9.67 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.51 1.155 . . . . 0.0 112.262 179.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -138.04 154.09 49.32 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -169.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.468 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.6 mm -120.12 157.69 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 126.311 1.844 . . . . 0.0 109.713 175.362 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 t-20 -130.41 136.67 49.28 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.078 0.951 . . . . 0.0 111.055 177.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -132.9 128.84 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 124.412 1.085 . . . . 0.0 109.582 -176.213 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.36 -125.94 21.65 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 179.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -129.28 -0.98 5.09 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.043 0.937 . . . . 0.0 111.827 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -146.29 -2.05 0.7 Allowed 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 114.936 1.458 . . . . 0.0 114.936 -168.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.32 134.36 55.09 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 CA-C-N 119.514 1.052 . . . . 0.0 110.718 175.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.7 m -133.88 132.66 40.58 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 123.918 0.887 . . . . 0.0 110.078 175.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.3 mm -112.99 145.56 18.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.26 1.024 . . . . 0.0 109.088 -175.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -137.06 132.77 34.63 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.224 0.61 . . . . 0.0 110.429 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -83.88 99.2 6.14 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 169.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -71.59 -29.17 64.4 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 -175.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.41 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.95 175.41 38.9 Favored Glycine 0 C--N 1.339 0.712 0 CA-C-N 117.87 0.305 . . . . 0.0 113.844 168.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.54 152.22 18.29 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.825 0.85 . . . . 0.0 111.505 178.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -139.08 61.02 1.58 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.847 1.259 . . . . 0.0 109.377 179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.65 -122.22 6.63 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 111.333 -0.707 . . . . 0.0 111.333 -174.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -78.56 -15.17 58.87 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -177.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.45 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 2.6 pt20 -98.75 146.05 26.3 Favored 'General case' 0 N--CA 1.453 -0.289 0 CA-C-O 122.662 1.22 . . . . 0.0 111.72 170.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 82.4 t -128.74 120.03 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 C-N-CA 126.073 1.749 . . . . 0.0 108.334 -167.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 63.0 ttt180 -90.51 101.86 14.6 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 -177.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 38.5 mt -108.81 135.23 48.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 124.759 1.224 . . . . 0.0 109.223 -177.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.54 139.26 15.25 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 123.743 0.687 . . . . 0.0 111.538 171.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.7 mp -111.44 135.67 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 C-N-CA 125.209 1.404 . . . . 0.0 108.809 177.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 31.3 m-80 -116.93 78.14 1.18 Allowed 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.368 1.067 . . . . 0.0 109.084 174.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.37 153.76 45.54 Favored Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 123.63 0.772 . . . . 0.0 110.583 172.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -74.21 155.5 46.82 Favored 'Trans proline' 0 N--CA 1.451 -1.022 0 C-N-CA 122.685 2.257 . . . . 0.0 110.51 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.0 mtpt -69.24 -2.79 11.46 Favored 'General case' 0 N--CA 1.457 -0.119 0 N-CA-C 112.737 0.643 . . . . 0.0 112.737 -177.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 -69.77 -26.12 64.13 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.962 0.905 . . . . 0.0 111.968 169.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.9 m -114.98 144.05 23.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 121.899 0.857 . . . . 0.0 111.631 174.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.37 143.03 30.6 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.782 0.833 . . . . 0.0 110.716 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 22.0 m -132.58 127.52 56.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 122.926 0.49 . . . . 0.0 110.169 172.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.531 ' CD2' HD11 ' A' ' 51' ' ' ILE . 99.4 m-70 -152.73 161.52 42.46 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.524 0.73 . . . . 0.0 110.475 -172.647 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.28 163.7 16.7 Favored 'General case' 0 N--CA 1.455 -0.223 0 O-C-N 122.122 -0.362 . . . . 0.0 111.402 168.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -68.82 -24.03 64.33 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 122.754 0.422 . . . . 0.0 112.119 -174.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.38 -27.32 68.44 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.269 1.027 . . . . 0.0 112.676 169.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -114.35 -24.45 3.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 124.359 1.064 . . . . 0.0 110.889 -169.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 74.9 t80 -60.59 -32.06 71.19 Favored 'General case' 0 N--CA 1.452 -0.328 0 O-C-N 121.597 -0.689 . . . . 0.0 110.674 177.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -75.44 -12.75 60.31 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.45 0.7 . . . . 0.0 111.992 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.98 -32.8 39.82 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.865 0.866 . . . . 0.0 110.765 169.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.543 HG22 HE21 ' A' ' 52' ' ' GLN . 23.3 mt -64.68 -53.2 45.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.769 0.827 . . . . 0.0 108.848 172.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.543 HE21 HG22 ' A' ' 51' ' ' ILE . 82.5 mm-40 -84.08 5.12 27.21 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.824 0.849 . . . . 0.0 112.416 -174.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.96 -32.68 69.84 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.788 0.435 . . . . 0.0 110.959 168.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 163.26 18.88 0.02 OUTLIER Glycine 0 CA--C 1.525 0.672 0 CA-C-O 119.048 -0.862 . . . . 0.0 113.47 170.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.582 ' O ' HG23 ' A' ' 56' ' ' THR . 16.6 mt -94.55 90.58 6.23 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-N 118.891 1.346 . . . . 0.0 108.227 -176.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.1 p 169.8 170.17 0.05 Allowed 'General case' 0 C--O 1.231 0.107 0 C-N-CA 126.965 2.106 . . . . 0.0 108.52 -169.465 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -89.64 152.12 46.63 Favored Pre-proline 0 N--CA 1.454 -0.229 0 O-C-N 121.897 -0.502 . . . . 0.0 110.636 168.376 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -75.59 163.63 33.71 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 123.157 2.571 . . . . 0.0 112.208 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.452 -0.351 0 C-N-CA 124.641 1.176 . . . . 0.0 111.811 177.211 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 33.3 tpp . . . . . 0 N--CA 1.473 0.722 0 CA-C-O 119.546 -0.264 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -113.31 123.18 49.53 Favored 'General case' 0 N--CA 1.455 -0.182 0 N-CA-C 107.516 -1.29 . . . . 0.0 107.516 169.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 47.9 mt -120.01 138.14 51.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 122.965 0.506 . . . . 0.0 112.361 -165.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 75.5 mt -142.67 137.95 30.28 Favored 'General case' 0 N--CA 1.452 -0.364 0 C-N-CA 124.494 1.118 . . . . 0.0 111.159 -173.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 36.5 p -86.71 123.38 31.81 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 107.662 -1.236 . . . . 0.0 107.662 166.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 11.8 mmp_? -116.55 126.49 53.38 Favored 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 122.815 0.446 . . . . 0.0 110.382 171.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 19.5 tttp -83.98 150.1 25.86 Favored 'General case' 0 N--CA 1.455 -0.195 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 175.068 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.401 ' CG1' ' HA2' ' B' ' 24' ' ' GLY . 33.0 m -56.52 130.52 19.3 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-N 118.388 0.54 . . . . 0.0 111.148 -171.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.48 -10.9 61.37 Favored Glycine 0 CA--C 1.527 0.797 0 CA-C-O 119.088 -0.84 . . . . 0.0 114.65 -175.03 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 80.9 mt-10 -86.69 166.14 15.55 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.97 1.385 . . . . 0.0 112.058 179.16 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 19.0 m -130.72 155.39 46.71 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.147 0.795 . . . . 0.0 113.147 -169.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 36.9 mm -132.76 149.79 32.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 126.934 2.093 . . . . 0.0 108.598 -178.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -130.96 140.75 50.2 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 124.029 0.931 . . . . 0.0 110.484 -177.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.9 mt -132.55 126.29 54.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.309 1.044 . . . . 0.0 109.431 -178.581 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.77 -133.04 52.83 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.09 -0.804 . . . . 0.0 111.09 -174.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -128.97 4.99 5.36 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.673 0.789 . . . . 0.0 113.02 174.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -111.39 -19.86 12.45 Favored 'General case' 0 N--CA 1.457 -0.114 0 N-CA-C 113.212 0.819 . . . . 0.0 113.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -117.73 136.09 56.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 119.2 0.909 . . . . 0.0 111.618 -169.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 23.2 m -130.85 148.16 52.58 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.989 1.316 . . . . 0.0 109.474 169.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -131.01 144.22 38.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 125.483 1.513 . . . . 0.0 108.011 -177.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 30.7 m -137.35 129.84 29.82 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.912 0.485 . . . . 0.0 110.115 177.628 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.52 102.27 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 169.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.0 mt -70.55 -33.46 71.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 O-C-N 121.803 -0.561 . . . . 0.0 110.438 -179.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . 0.401 ' HA2' ' CG1' ' B' ' 8' ' ' VAL . . . 162.51 178.02 36.02 Favored Glycine 0 C--N 1.335 0.519 0 N-CA-C 111.565 -0.614 . . . . 0.0 111.565 170.114 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.1 m -105.42 148.84 9.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 O-C-N 122.396 -0.473 . . . . 0.0 109.888 173.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 67.0 m -123.52 77.88 1.54 Allowed 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.418 -0.956 . . . . 0.0 108.418 169.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.91 -119.39 4.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.208 -0.757 . . . . 0.0 111.208 -175.187 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.14 10.44 40.5 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.139 0.576 . . . . 0.0 110.953 172.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.92 155.75 17.24 Favored 'General case' 0 N--CA 1.448 -0.538 0 C-N-CA 124.04 0.936 . . . . 0.0 110.069 170.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -137.59 113.21 10.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 123.136 0.574 . . . . 0.0 109.566 -169.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -87.0 116.2 24.89 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 125.355 1.462 . . . . 0.0 109.576 179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.17 129.95 72.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 124.246 1.018 . . . . 0.0 109.72 -170.064 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.3 136.71 13.15 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.141 -0.783 . . . . 0.0 111.141 170.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 52.5 mt -120.67 129.59 75.45 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 123.75 0.82 . . . . 0.0 109.197 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 33.4 t-20 -129.78 80.08 1.94 Allowed 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 114.506 -1.224 . . . . 0.0 109.484 -168.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.88 157.82 72.5 Favored Pre-proline 0 N--CA 1.451 -0.417 0 CA-C-N 113.976 -1.465 . . . . 0.0 109.693 177.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . 0.409 ' O ' HG22 ' B' ' 40' ' ' VAL . 41.2 Cg_endo -60.52 156.78 39.84 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.645 1.563 . . . . 0.0 110.232 168.767 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.3 mppt? -74.68 -0.87 19.44 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.998 0.904 . . . . 0.0 111.884 174.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -65.83 -22.16 66.53 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 125.644 1.578 . . . . 0.0 111.506 170.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.409 HG22 ' O ' ' B' ' 37' ' ' PRO . 14.2 m -112.27 144.06 20.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 124.373 1.069 . . . . 0.0 109.524 173.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.39 141.47 28.61 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 121.671 0.748 . . . . 0.0 111.389 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.7 t -142.65 99.46 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 CA-C-N 114.62 -1.173 . . . . 0.0 108.833 -166.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.437 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.6 OUTLIER -143.11 168.74 19.02 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 123.88 0.872 . . . . 0.0 110.213 177.154 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.468 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.0 ptt-85 -71.51 157.59 37.75 Favored 'General case' 0 N--CA 1.452 -0.337 0 O-C-N 122.178 -0.326 . . . . 0.0 111.426 169.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -53.57 -40.08 65.31 Favored 'General case' 0 N--CA 1.458 -0.059 0 C-N-CA 123.482 0.713 . . . . 0.0 112.058 -177.619 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -48.02 -49.73 30.07 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.737 0.815 . . . . 0.0 111.592 174.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.2 mm -75.11 -45.51 41.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 C-N-CA 124.835 1.254 . . . . 0.0 110.817 -175.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -51.39 -36.38 43.18 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 124.2 1.0 . . . . 0.0 111.856 -179.541 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 -68.9 -23.89 64.25 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -176.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.4 mpt_? -81.62 -39.66 24.13 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.064 0.847 . . . . 0.0 110.313 170.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.537 HG22 ' NE2' ' B' ' 52' ' ' GLN . 98.0 mt -62.78 -40.72 89.72 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 -177.104 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.537 ' NE2' HG22 ' B' ' 51' ' ' ILE . 27.9 mm-40 -80.27 4.27 18.25 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.025 0.75 . . . . 0.0 113.025 174.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.473 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.88 -17.93 51.93 Favored 'General case' 0 N--CA 1.452 -0.366 0 C-N-CA 123.179 0.591 . . . . 0.0 111.344 168.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.31 47.66 0.1 OUTLIER Glycine 0 C--N 1.338 0.671 0 CA-C-O 119.49 -0.616 . . . . 0.0 114.121 169.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -169.02 -176.95 2.78 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.857 0.828 . . . . 0.0 112.76 -168.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 44.0 p -127.26 -176.42 3.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 125.429 1.491 . . . . 0.0 109.448 168.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -43.95 119.0 3.13 Favored Pre-proline 0 CA--C 1.53 0.195 0 C-N-CA 123.666 0.787 . . . . 0.0 111.126 179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -57.26 -50.12 12.02 Favored 'Trans proline' 0 N--CA 1.452 -0.933 0 C-N-CA 122.921 2.414 . . . . 0.0 112.484 -169.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 N--CA 1.451 -0.392 0 CA-C-O 121.591 0.71 . . . . 0.0 111.055 -175.472 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.474 0.734 0 N-CA-C 101.327 -3.583 . . . . 0.0 101.327 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.21 110.49 22.01 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 107.845 -1.169 . . . . 0.0 107.845 -169.256 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.401 HG21 ' N7 ' ' G' ' 12' ' ' ' A' . 4.1 mp -85.19 130.13 36.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.94 -0.763 . . . . 0.0 108.94 177.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 92.1 mt -123.82 137.53 54.65 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.834 0.854 . . . . 0.0 109.605 170.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 51.6 p -94.29 136.99 33.98 Favored 'General case' 0 N--CA 1.455 -0.224 0 CA-C-O 120.789 0.328 . . . . 0.0 110.47 169.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -136.35 141.86 43.77 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 122.971 0.508 . . . . 0.0 110.792 173.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.3 tptm -80.26 156.37 26.87 Favored 'General case' 0 N--CA 1.457 -0.112 0 C-N-CA 124.635 1.174 . . . . 0.0 108.61 169.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 18.0 m -60.45 135.17 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 CA-C-N 119.042 0.837 . . . . 0.0 111.56 -179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.53 -3.67 81.79 Favored Glycine 0 CA--C 1.528 0.899 0 C-N-CA 124.677 1.132 . . . . 0.0 114.086 -176.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 76.7 mm-40 -90.11 176.81 6.63 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 119.097 1.449 . . . . 0.0 112.257 178.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.6 m -139.13 157.78 45.35 Favored 'General case' 0 N--CA 1.457 -0.123 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 -167.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 63.0 mt -136.82 158.01 36.56 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.149 0 C-N-CA 127.799 2.44 . . . . 0.0 108.203 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.3 t-20 -131.31 145.25 51.79 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 124.214 1.005 . . . . 0.0 111.28 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -134.84 139.39 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.691 1.196 . . . . 0.0 109.733 179.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.75 -131.19 51.44 Favored Glycine 0 CA--C 1.523 0.586 0 N-CA-C 110.452 -1.059 . . . . 0.0 110.452 -169.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -129.99 9.96 5.39 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.772 0.829 . . . . 0.0 110.985 168.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -130.01 -11.34 4.25 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.696 1.198 . . . . 0.0 112.966 -169.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.39 134.04 64.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 123.583 0.753 . . . . 0.0 110.133 -174.657 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.9 m -123.45 138.21 54.63 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.683 0.793 . . . . 0.0 109.691 175.048 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 42.2 mm -118.46 140.71 41.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.993 1.317 . . . . 0.0 108.522 -179.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 10.8 m -136.78 128.18 28.35 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.907 -0.496 . . . . 0.0 110.471 -176.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -81.54 106.57 12.77 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 107.712 -1.218 . . . . 0.0 107.712 169.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -82.36 -33.68 28.73 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 -175.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.02 -171.89 41.96 Favored Glycine 0 CA--C 1.524 0.601 0 C-N-CA 121.756 -0.259 . . . . 0.0 113.299 168.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -125.25 153.52 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.281 0.632 . . . . 0.0 110.737 175.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.4 p -143.73 110.46 5.59 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.082 0.953 . . . . 0.0 108.866 170.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 61.36 -124.7 35.61 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 -169.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -95.47 -0.51 52.23 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.057 0.943 . . . . 0.0 112.242 175.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -83.89 153.12 24.17 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 123.37 0.668 . . . . 0.0 110.952 174.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.8 t -131.2 121.78 49.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.495 1.118 . . . . 0.0 108.173 178.044 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 14.8 ttm180 -80.62 112.05 17.62 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 108.927 -0.768 . . . . 0.0 108.927 169.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.1 mt -114.67 130.16 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.255 1.422 . . . . 0.0 108.9 -176.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.52 139.46 14.41 Favored Glycine 0 CA--C 1.523 0.556 0 C-N-CA 124.524 1.059 . . . . 0.0 111.771 174.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -132.44 113.14 20.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 125.055 1.342 . . . . 0.0 107.826 -176.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t30 -123.25 94.42 4.25 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.033 0.444 . . . . 0.0 110.258 -168.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.99 158.09 76.18 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.684 1.193 . . . . 0.0 109.901 -175.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -61.48 149.5 89.37 Favored 'Trans proline' 0 N--CA 1.451 -0.986 0 C-N-CA 122.375 2.05 . . . . 0.0 110.91 169.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -65.35 -0.92 2.06 Favored 'General case' 0 CA--C 1.529 0.145 0 C-N-CA 123.676 0.79 . . . . 0.0 112.604 173.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -65.9 -24.19 66.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.473 1.109 . . . . 0.0 111.491 169.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.6 m -120.57 148.33 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.15 0.98 . . . . 0.0 110.493 174.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.6 154.09 21.95 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 122.559 0.344 . . . . 0.0 111.357 176.3 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.2 m -136.76 129.99 45.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 169.609 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -153.12 150.28 28.94 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.995 0.518 . . . . 0.0 111.089 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 30.7 ptt-85 -71.09 157.72 37.7 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 167.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 tm-20 -59.55 -34.58 72.85 Favored 'General case' 0 CA--C 1.527 0.084 0 N-CA-C 112.842 0.682 . . . . 0.0 112.842 -168.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -68.92 -23.01 64.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 178.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 50.3 mm -94.06 -35.61 6.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.605 0.762 . . . . 0.0 110.735 174.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -52.84 -33.95 51.8 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.171 0.989 . . . . 0.0 112.586 -177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -61.53 -27.66 68.77 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 123.509 0.724 . . . . 0.0 112.622 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.4 ttt180 -69.14 -36.0 76.98 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 123.231 0.612 . . . . 0.0 111.644 172.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.412 ' N ' HD12 ' C' ' 51' ' ' ILE . 2.4 mp -69.29 -18.94 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 O-C-N 122.027 -0.421 . . . . 0.0 110.043 178.184 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 73.3 mm-40 -91.18 -7.28 51.87 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.588 0.755 . . . . 0.0 112.563 171.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -89.87 -21.02 22.73 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.362 1.065 . . . . 0.0 112.479 178.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 99.33 142.09 12.9 Favored Glycine 0 CA--C 1.526 0.727 0 C-N-CA 124.039 0.828 . . . . 0.0 111.824 -178.13 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -153.0 162.6 41.13 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.108 0.963 . . . . 0.0 111.912 -171.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 3.7 t 45.99 -162.37 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 C-N-CA 126.644 1.978 . . . . 0.0 113.398 -176.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.79 128.18 93.63 Favored Pre-proline 0 N--CA 1.452 -0.346 0 O-C-N 121.386 -0.822 . . . . 0.0 110.428 173.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -66.0 174.21 6.12 Favored 'Trans proline' 0 N--CA 1.452 -0.919 0 C-N-CA 122.533 2.156 . . . . 0.0 113.183 177.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.455 -0.19 0 C-N-CA 124.004 0.922 . . . . 0.0 112.563 179.464 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.419 ' HE2' ' C6 ' ' G' ' 67' ' ' ' C' . 8.4 ttp . . . . . 0 N--CA 1.474 0.752 0 N-CA-C 111.922 0.341 . . . . 0.0 111.922 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -116.97 124.92 50.55 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 125.798 1.639 . . . . 0.0 108.938 171.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.407 HD11 " H5'" ' G' ' 67' ' ' ' C' . 4.2 mp -120.45 136.98 55.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.214 1.006 . . . . 0.0 109.799 -169.24 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 83.8 mt -136.87 162.38 33.4 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.943 1.297 . . . . 0.0 111.582 -176.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -115.91 113.45 23.33 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 165.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.406 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.7 OUTLIER -114.6 144.17 43.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 168.12 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 15.8 mmtp -78.43 161.12 27.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-O 121.273 0.558 . . . . 0.0 110.11 172.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 28.4 m -54.28 135.3 16.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.441 170.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.77 -1.27 78.1 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.42 1.01 . . . . 0.0 114.186 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -99.88 171.83 7.62 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 119.043 1.421 . . . . 0.0 112.169 -178.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -129.4 155.76 45.15 Favored 'General case' 0 N--CA 1.457 -0.1 0 N-CA-C 113.663 0.986 . . . . 0.0 113.663 -168.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.406 HD11 ' HG3' ' D' ' 6' ' ' ARG . 30.4 mt -140.75 158.07 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 126.5 1.92 . . . . 0.0 109.199 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -130.07 149.5 51.76 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.669 1.188 . . . . 0.0 111.71 -176.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 78.4 mt -135.33 134.2 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 125.055 1.342 . . . . 0.0 109.228 175.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.48 -134.53 52.3 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 111.185 -0.766 . . . . 0.0 111.185 -174.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -129.49 9.95 5.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.961 0.905 . . . . 0.0 112.441 171.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -124.04 -14.22 7.14 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.82 134.6 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 118.983 0.81 . . . . 0.0 110.923 -170.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 11.8 m -125.06 144.79 50.23 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.201 1.001 . . . . 0.0 109.865 175.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 25.2 mm -125.43 140.92 46.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 125.164 1.386 . . . . 0.0 108.282 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.5 m -134.99 125.59 26.88 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.426 -0.583 . . . . 0.0 109.426 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -81.53 107.92 14.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 107.821 -1.178 . . . . 0.0 107.821 170.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 23.7 mt -83.17 -30.9 27.45 Favored 'General case' 0 N--CA 1.453 -0.306 0 O-C-N 122.09 -0.381 . . . . 0.0 110.56 -173.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.91 -177.65 40.34 Favored Glycine 0 C--N 1.336 0.579 0 C-N-CA 121.472 -0.394 . . . . 0.0 113.382 172.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -108.75 160.56 7.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 123.217 0.607 . . . . 0.0 111.567 171.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 19.5 t -142.6 79.85 1.67 Allowed 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 125.426 1.49 . . . . 0.0 108.162 170.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.1 -114.93 5.8 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.369 -0.692 . . . . 0.0 111.369 -171.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -88.7 -15.62 34.37 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.055 0.942 . . . . 0.0 111.105 175.58 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.44 159.16 21.83 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-O 121.363 0.602 . . . . 0.0 112.227 175.247 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 17.6 t -141.0 122.61 14.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.394 0 C-N-CA 124.307 1.043 . . . . 0.0 108.454 -172.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 24.2 mtm180 -82.33 120.1 24.98 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.295 0.638 . . . . 0.0 109.917 171.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -125.9 118.34 51.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 124.081 0.953 . . . . 0.0 109.468 -178.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.22 143.2 23.73 Favored Glycine 0 C--N 1.337 0.604 0 C-N-CA 125.357 1.456 . . . . 0.0 110.909 170.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -132.6 138.58 51.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 N-CA-C 108.087 -1.079 . . . . 0.0 108.087 174.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t-20 -136.53 97.19 3.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 -172.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.24 153.02 79.23 Favored Pre-proline 0 N--CA 1.451 -0.382 0 C-N-CA 124.599 1.159 . . . . 0.0 109.478 -174.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_endo -60.88 150.21 84.56 Favored 'Trans proline' 0 N--CA 1.451 -0.992 0 C-N-CA 122.18 1.92 . . . . 0.0 110.593 169.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -69.05 -0.9 6.37 Favored 'General case' 0 N--CA 1.457 -0.109 0 N-CA-C 112.839 0.681 . . . . 0.0 112.839 174.709 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -67.07 -22.58 65.84 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.749 1.22 . . . . 0.0 111.357 168.634 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.3 m -124.22 159.03 30.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.318 1.047 . . . . 0.0 110.585 175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -101.34 157.04 17.08 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.299 0.64 . . . . 0.0 112.079 -177.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -145.98 128.32 8.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 O-C-N 121.688 -0.633 . . . . 0.0 110.604 168.852 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -149.58 167.7 25.59 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.917 0.887 . . . . 0.0 111.353 177.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 28.8 mtm180 -64.94 157.7 27.39 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 167.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -63.25 -34.84 78.53 Favored 'General case' 0 CA--C 1.529 0.155 0 O-C-N 121.476 -0.765 . . . . 0.0 111.522 176.176 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -67.06 -27.71 67.61 Favored 'General case' 0 N--CA 1.456 -0.135 0 C-N-CA 123.473 0.709 . . . . 0.0 112.728 175.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.477 HG23 ' C6 ' ' G' ' 7' ' ' ' C' . 11.4 mm -84.3 -37.5 12.9 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.017 0.927 . . . . 0.0 110.912 173.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . 0.426 ' CE1' ' NE2' ' D' ' 52' ' ' GLN . 65.4 t80 -53.1 -37.44 61.71 Favored 'General case' 0 N--CA 1.448 -0.527 0 C-N-CA 124.064 0.946 . . . . 0.0 111.806 -172.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 70.0 mt-30 -62.08 -21.04 64.64 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.68 1.192 . . . . 0.0 113.579 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -79.35 -34.36 42.18 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 124.378 1.071 . . . . 0.0 110.696 176.283 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.598 ' N ' HD12 ' D' ' 51' ' ' ILE . 1.4 mp -79.91 -18.65 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.933 1.693 . . . . 0.0 109.213 176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . 0.426 ' NE2' ' CE1' ' D' ' 48' ' ' TYR . 11.5 mm-40 -92.49 0.8 57.47 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 121.692 -0.63 . . . . 0.0 112.66 169.371 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.04 -50.36 2.91 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.308 1.043 . . . . 0.0 112.618 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -170.27 7.1 0.04 OUTLIER Glycine 0 CA--C 1.525 0.675 0 N-CA-C 115.899 1.12 . . . . 0.0 115.899 -177.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 59.57 50.28 7.55 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.665 1.186 . . . . 0.0 110.117 165.811 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . 0.379 0.1 OUTLIER -75.0 3.9 7.56 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 117.742 2.497 . . . . 0.0 117.742 -162.572 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.22 78.97 18.28 Favored Pre-proline 0 N--CA 1.453 -0.284 0 C-N-CA 123.267 0.627 . . . . 0.0 109.884 167.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.86 150.29 72.71 Favored 'Trans proline' 0 N--CA 1.453 -0.885 0 C-N-CA 123.543 2.829 . . . . 0.0 112.482 -177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 29.0 t0 . . . . . 0 CA--C 1.532 0.251 0 C-N-CA 124.981 1.312 . . . . 0.0 113.392 170.43 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.475 0.776 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.35 144.53 46.8 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.281 1.033 . . . . 0.0 110.05 -177.012 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.6 mp -117.49 126.78 74.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 170.205 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -122.61 163.67 19.6 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 125.559 1.544 . . . . 0.0 110.422 -177.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.46 126.81 33.9 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 168.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.414 ' HE ' ' HA ' ' E' ' 6' ' ' ARG . 3.5 tpm_? -135.24 128.67 32.35 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.309 1.044 . . . . 0.0 109.752 -169.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.4 pttm -88.08 163.88 16.02 Favored 'General case' 0 CA--C 1.522 -0.121 0 CA-C-N 119.399 1.0 . . . . 0.0 112.753 171.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.7 m -59.27 137.92 21.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 CA-C-N 115.088 -0.96 . . . . 0.0 112.173 -174.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.84 -5.44 82.08 Favored Glycine 0 CA--C 1.527 0.835 0 CA-C-O 119.037 -0.868 . . . . 0.0 114.21 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 50.2 mm-40 -96.36 -178.96 4.47 Favored 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 118.9 1.35 . . . . 0.0 111.535 176.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -137.51 160.96 37.68 Favored 'General case' 0 N--CA 1.457 -0.093 0 N-CA-C 113.731 1.011 . . . . 0.0 113.731 -172.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 38.4 mm -133.63 155.71 40.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.196 0 C-N-CA 127.731 2.412 . . . . 0.0 108.105 176.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.4 m120 -135.34 150.76 50.03 Favored 'General case' 0 N--CA 1.456 -0.151 0 O-C-N 121.17 -0.956 . . . . 0.0 113.399 -177.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -138.14 139.32 42.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.765 1.226 . . . . 0.0 109.219 -178.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.23 -137.03 47.84 Favored Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.674 -0.57 . . . . 0.0 111.674 -178.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -125.06 8.47 8.0 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 124.191 0.997 . . . . 0.0 111.605 171.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -136.31 -7.02 2.02 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.232 0.827 . . . . 0.0 113.232 -169.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.55 133.94 62.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 CA-C-N 118.77 0.714 . . . . 0.0 110.771 -174.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 35.3 m -126.85 142.57 51.51 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.442 1.097 . . . . 0.0 110.044 174.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 25.3 mm -121.51 137.25 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 C-N-CA 125.042 1.337 . . . . 0.0 108.125 174.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 53.9 m -133.28 126.71 32.06 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 123.232 0.613 . . . . 0.0 109.705 179.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -83.02 99.71 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 177.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.9 mt -69.35 -30.44 68.46 Favored 'General case' 0 N--CA 1.455 -0.199 0 O-C-N 121.962 -0.461 . . . . 0.0 110.904 -175.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.2 -169.14 33.69 Favored Glycine 0 CA--C 1.526 0.745 0 C-N-CA 123.038 0.351 . . . . 0.0 113.484 169.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.1 m -125.28 158.84 33.22 Favored 'Isoleucine or valine' 0 C--O 1.231 0.12 0 C-N-CA 123.645 0.778 . . . . 0.0 112.504 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.4 p -146.52 89.97 1.89 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.922 1.289 . . . . 0.0 109.46 168.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.92 -104.3 1.69 Allowed Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.826 -0.509 . . . . 0.0 111.826 -176.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -100.45 -15.7 17.82 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 123.253 0.621 . . . . 0.0 111.798 171.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -76.07 146.48 39.34 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-O 121.627 0.727 . . . . 0.0 109.344 179.593 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 64.5 t -140.0 108.01 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.522 0 N-CA-C 105.617 -1.994 . . . . 0.0 105.617 -169.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -87.89 123.23 32.42 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 -177.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.0 mt -127.25 130.21 70.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 123.833 0.853 . . . . 0.0 110.335 -168.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.11 138.36 14.0 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.365 -1.094 . . . . 0.0 110.365 169.223 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.8 mp -129.66 132.2 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 124.348 1.059 . . . . 0.0 109.152 178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -132.14 98.95 4.56 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 -172.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.4 155.33 80.85 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.671 1.188 . . . . 0.0 110.322 176.232 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -62.02 157.76 42.34 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.75 2.3 . . . . 0.0 112.107 172.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -71.6 -1.01 12.08 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.449 0.7 . . . . 0.0 112.63 172.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -66.74 -22.8 66.04 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.654 1.182 . . . . 0.0 111.754 169.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -122.49 158.64 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.046 0.938 . . . . 0.0 110.733 -179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.66 158.21 16.06 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.896 175.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -154.99 129.4 1.37 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.029 0.532 . . . . 0.0 110.239 169.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -151.2 169.29 22.25 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 124.2 1.0 . . . . 0.0 110.317 176.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 58.7 mtm-85 -64.6 156.27 30.56 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 167.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -65.32 -23.83 67.11 Favored 'General case' 0 N--CA 1.455 -0.219 0 O-C-N 122.145 -0.347 . . . . 0.0 111.254 -179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -55.13 -50.41 69.32 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.18 0.992 . . . . 0.0 111.029 169.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -79.32 -33.15 15.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 123.919 0.888 . . . . 0.0 110.022 -173.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -56.77 -35.96 69.27 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 123.673 0.789 . . . . 0.0 112.272 177.285 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -69.34 -25.18 64.07 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.147 0.579 . . . . 0.0 112.522 -178.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? -72.15 -25.97 61.92 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.025 0.53 . . . . 0.0 110.297 174.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.433 ' O ' HD21 ' E' ' 55' ' ' LEU . 90.6 mt -98.91 -29.68 3.48 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.436 0 C-N-CA 124.32 1.048 . . . . 0.0 110.912 -169.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.6 mm-40 -85.09 3.16 40.13 Favored 'General case' 0 N--CA 1.452 -0.332 0 N-CA-C 114.997 1.481 . . . . 0.0 114.997 176.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.43 4.08 0.26 Allowed 'General case' 0 N--CA 1.451 -0.383 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 171.451 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . 0.71 ' C ' HD13 ' E' ' 55' ' ' LEU . . . 134.79 -120.85 2.48 Favored Glycine 0 C--N 1.338 0.677 0 C-N-CA 125.913 1.721 . . . . 0.0 109.884 -169.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.71 HD13 ' C ' ' E' ' 54' ' ' GLY . 0.0 OUTLIER 36.43 -11.87 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.259 2 C-N-CA 132.868 4.467 . . . . 0.0 122.976 163.167 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . 0.59 ' N ' HD22 ' E' ' 55' ' ' LEU . 7.2 p -61.58 -25.81 67.56 Favored 'General case' 0 N--CA 1.458 -0.075 0 CA-C-N 121.836 2.107 . . . . 0.0 112.762 -165.344 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -112.41 96.05 34.17 Favored Pre-proline 0 N--CA 1.45 -0.43 0 C-N-CA 124.568 1.147 . . . . 0.0 108.036 167.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 76.0 Cg_exo -57.28 -40.84 79.13 Favored 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 123.165 2.577 . . . . 0.0 113.219 -171.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 N--CA 1.451 -0.42 0 C-N-CA 123.269 0.628 . . . . 0.0 110.782 -168.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.474 0.758 0 CA-C-O 120.254 0.073 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -94.79 150.22 20.43 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.074 0.55 . . . . 0.0 111.571 174.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -128.58 132.37 67.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.612 -0.885 . . . . 0.0 108.612 169.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -129.91 159.4 36.75 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 125.014 1.326 . . . . 0.0 109.937 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.7 m -130.39 102.19 6.07 Favored 'General case' 0 N--CA 1.455 -0.21 0 N-CA-C 109.876 -0.416 . . . . 0.0 109.876 168.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.419 ' HG3' HD11 ' F' ' 12' ' ' ILE . 1.2 mmp_? -104.86 162.02 13.68 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.507 1.123 . . . . 0.0 109.542 176.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 10.9 pttp -118.15 173.43 6.8 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 113.529 0.937 . . . . 0.0 113.529 169.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.6 m -57.06 135.31 21.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 CA-C-N 115.569 -0.741 . . . . 0.0 112.818 -169.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.0 -4.36 78.07 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 124.357 0.98 . . . . 0.0 114.185 -178.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.8 mt-10 -99.57 171.59 7.83 Favored 'General case' 0 N--CA 1.456 -0.139 0 CA-C-N 118.651 1.225 . . . . 0.0 112.329 -175.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 73.1 m -138.31 166.84 23.2 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 114.292 1.219 . . . . 0.0 114.292 -168.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.419 HD11 ' HG3' ' F' ' 6' ' ' ARG . 13.4 mt -152.18 156.41 5.88 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 C-N-CA 128.455 2.702 . . . . 0.0 107.402 -169.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -136.25 152.35 50.64 Favored 'General case' 0 N--CA 1.455 -0.224 0 O-C-N 121.47 -0.768 . . . . 0.0 112.534 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -136.37 141.39 41.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.721 1.208 . . . . 0.0 108.878 176.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.52 -134.36 52.45 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.409 -0.676 . . . . 0.0 111.409 -174.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -128.67 10.11 6.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.422 1.089 . . . . 0.0 112.399 174.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -133.33 -17.26 2.34 Favored 'General case' 0 N--CA 1.456 -0.146 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -100.35 137.67 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 119.285 0.948 . . . . 0.0 110.871 -171.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 33.1 m -132.58 139.55 47.86 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 124.395 1.078 . . . . 0.0 110.132 179.053 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.5 mm -121.17 143.18 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 C-N-CA 124.906 1.282 . . . . 0.0 108.621 175.028 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 48.9 m -138.96 128.54 24.55 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 123.609 0.764 . . . . 0.0 109.923 176.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -80.21 117.71 26.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 N-CA-C 108.801 -0.814 . . . . 0.0 108.801 169.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.7 mt -86.37 -30.62 22.03 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.177 0.591 . . . . 0.0 111.055 -176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.93 -175.28 33.75 Favored Glycine 0 CA--C 1.524 0.631 0 C-N-CA 122.888 0.28 . . . . 0.0 113.507 170.512 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.6 m -123.84 157.93 30.17 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.092 0 C-N-CA 123.102 0.561 . . . . 0.0 112.154 -178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 24.1 t -149.98 103.45 3.2 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.443 1.097 . . . . 0.0 109.118 169.089 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.44 -114.22 6.32 Favored Glycine 0 CA--C 1.525 0.715 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 -173.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -96.59 -15.24 21.68 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 117.177 0.489 . . . . 0.0 112.189 175.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.73 142.3 38.8 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 123.531 0.732 . . . . 0.0 110.386 -178.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.7 t -132.48 113.79 21.74 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 -174.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.6 ttt180 -88.4 127.51 35.5 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 123.425 0.69 . . . . 0.0 109.52 -177.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -133.21 135.31 56.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.905 0.882 . . . . 0.0 110.555 -168.051 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.82 138.72 14.04 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 124.243 0.925 . . . . 0.0 111.102 170.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 18.4 mt -130.99 130.17 63.82 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 124.627 1.171 . . . . 0.0 108.732 -177.479 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -133.3 108.57 8.82 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.053 0.541 . . . . 0.0 109.72 -176.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.63 158.74 74.84 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 124.01 0.924 . . . . 0.0 111.257 178.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_endo -65.08 162.42 32.84 Favored 'Trans proline' 0 N--CA 1.45 -1.059 0 C-N-CA 122.927 2.418 . . . . 0.0 112.239 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -68.1 -11.39 58.98 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.569 0.748 . . . . 0.0 112.61 173.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -65.09 -19.79 66.16 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 125.034 1.334 . . . . 0.0 112.627 174.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.8 m -128.21 164.79 29.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.166 0 C-N-CA 123.848 0.859 . . . . 0.0 111.224 -176.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.92 162.53 13.53 Favored 'General case' 0 N--CA 1.451 -0.397 0 C-N-CA 123.395 0.678 . . . . 0.0 111.733 172.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 1.7 p -154.95 119.92 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 C-N-CA 123.68 0.792 . . . . 0.0 110.078 176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.56 176.16 12.01 Favored 'General case' 0 N--CA 1.456 -0.128 0 C-N-CA 123.695 0.798 . . . . 0.0 110.658 175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.0 ptt-85 -80.38 163.88 23.53 Favored 'General case' 0 N--CA 1.454 -0.248 0 O-C-N 121.83 -0.544 . . . . 0.0 110.104 168.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -59.16 -31.18 68.75 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 122.912 0.485 . . . . 0.0 112.261 -172.242 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -56.33 -47.59 78.46 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.9 0.88 . . . . 0.0 111.443 174.269 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.6 mm -86.84 -29.95 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.329 0 C-N-CA 123.643 0.777 . . . . 0.0 110.327 -170.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -50.95 -36.7 40.17 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.298 1.039 . . . . 0.0 112.693 176.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 68.5 mt-30 -60.59 -21.93 63.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.94 0.896 . . . . 0.0 112.395 -178.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -76.48 -22.95 53.85 Favored 'General case' 0 C--O 1.225 -0.216 0 C-N-CA 123.808 0.843 . . . . 0.0 110.737 179.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.498 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.4 mp -96.88 -23.27 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.822 1.249 . . . . 0.0 109.84 -177.578 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 72.8 mm-40 -85.39 -49.48 8.08 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 116.279 1.955 . . . . 0.0 116.279 170.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.42 -24.48 13.84 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 116.443 2.016 . . . . 0.0 116.443 -165.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.31 -28.79 0.89 Allowed Glycine 0 CA--C 1.526 0.725 0 CA-C-N 118.757 0.708 . . . . 0.0 112.171 -170.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 67.05 155.99 0.1 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 129.007 2.923 . . . . 0.0 113.407 174.014 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 39.9 p -99.04 144.6 28.0 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.329 -176.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 43.12 73.19 0.98 Allowed Pre-proline 0 N--CA 1.454 -0.264 0 C-N-CA 125.259 1.424 . . . . 0.0 112.768 -169.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -60.39 174.32 1.58 Allowed 'Trans proline' 0 N--CA 1.452 -0.927 0 C-N-CA 123.552 2.834 . . . . 0.0 114.143 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 N--CA 1.453 -0.299 0 C-N-CA 124.685 1.194 . . . . 0.0 112.79 177.665 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.973 3.773 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.602 3.402 . 0.305 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.084 1 O4'-C1'-N19 112.7 4.5 . 0.577 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.89 3.69 . 0.315 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.011 0 O4'-C1'-N19 111.814 3.614 . 0.067 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.224 0 C5'-C4'-O4' 113.935 3.382 . 0.101 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.592 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -3.018 1 O4'-C1'-N19 112.343 4.143 . 0.324 7d . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C5'-C4'-C3' 111.006 -2.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.317 0 O4'-C1'-N19 110.769 2.569 . 0.018 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 1 C3'-C2'-C1' 105.254 4.171 . 0.127 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 112.196 3.996 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.441 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 C5'-C4'-C3' 111.602 -2.599 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 108.743 -4.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 99.942 -2.758 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 111.475 3.275 . 0.791 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 O4'-C1'-N19 111.515 3.315 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.087 0 C5'-C4'-C3' 109.687 -3.875 . 0.725 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C5'-C4'-C3' 110.656 -3.23 . 0.01 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 110.957 2.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 111.967 3.767 . 0.658 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 1 O4'-C1'-N19 112.591 4.391 . 0.412 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.013 0 O4'-C1'-N19 110.725 2.525 . 0.217 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.925 4.725 . 0.598 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 0 O4'-C1'-N19 112.085 3.885 . 0.419 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 0 N19-C1'-C2' 108.635 -2.978 . 0.703 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.97 0 O5'-C5'-C4' 114.36 2.972 . 0.426 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.437 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.213 0 C5'-C4'-C3' 111.949 -2.367 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.393 0 C5'-C4'-C3' 112.187 -2.209 . 0.044 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 C5'-C4'-C3' 111.134 -2.911 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.604 3.404 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 0 C4'-C3'-C2' 100.3 -2.4 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 O4'-C1'-N19 111.169 2.969 . 0.523 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 1 O4'-C1'-N19 112.386 4.186 . 0.858 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.104 0 C4'-C3'-C2' 99.236 -3.464 . 0.462 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 0 C4'-C3'-C2' 99.758 -2.942 . 0.343 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 111.986 3.786 . 0.641 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 2 O4'-C1'-N19 112.796 4.596 OUTLIER-EPSILON 0.108 7p . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 P-O3'-C3' 124.589 4.074 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 C3'-C2'-C1' 104.142 2.936 . 0.187 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 1 O4'-C1'-N19 113.231 5.031 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.403 1 C5'-C4'-C3' 109.083 -4.278 . 0.038 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 111.906 3.706 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 C5'-C4'-C3' 111.099 -2.934 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 O4'-C1'-N19 112.279 4.079 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 112.145 3.945 . 0.548 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.064 2.864 . 0.501 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.348 4.148 . 0.425 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 C3'-C2'-C1' 105.066 3.962 . 0.249 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.037 0 C4'-C3'-C2' 99.744 -2.956 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 O4'-C1'-N19 111.136 2.936 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 0 C5'-C4'-C3' 111.455 -2.697 . 0.395 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.422 1 O5'-C5'-C4' 116.826 4.733 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 0 C5'-C4'-C3' 111.468 -2.688 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.998 1 O4'-C1'-N19 112.468 4.268 . 0.921 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C5'-C4'-O4' 112.297 2.212 . 0.453 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 110.826 2.626 . 0.577 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 C5'-C4'-C3' 111.248 -2.834 . 0.245 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.853 3.653 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 112.063 3.863 . 0.145 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 O4'-C1'-N19 111.403 3.203 . 0.201 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 0 O4'-C1'-N19 111.881 3.681 . 0.581 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 0 O4'-C1'-N19 112.056 3.856 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 C3'-C2'-C1' 104.194 2.993 . 0.254 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 99.272 -3.428 . 0.017 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 P-O3'-C3' 122.43 2.275 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . 0.58 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.267 1 C3'-C2'-C1' 105.256 4.174 . 0.454 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.58 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.581 1 O5'-C5'-C4' 121.511 8.079 OUTLIER-EPSILON 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.564 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.414 -3.26 1 P-O3'-C3' 126.118 5.349 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.022 0 O4'-C1'-N19 110.951 2.751 . 0.92 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 1 O4'-C1'-N19 112.777 4.577 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 0 C4'-C3'-C2' 99.833 -2.867 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 110.716 2.516 . 0.534 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.0 ttp . . . . . 0 N--CA 1.474 0.764 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.24 110.06 22.43 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.67 0.788 . . . . 0.0 109.534 -175.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.3 mp -92.64 135.88 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.9 mt -131.58 162.28 30.7 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.971 0.908 . . . . 0.0 110.169 175.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.8 m -126.18 100.81 6.48 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.221 -1.4 . . . . 0.0 107.221 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -119.67 139.45 52.21 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.363 1.065 . . . . 0.0 110.237 -167.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -106.78 161.09 14.98 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 118.008 0.367 . . . . 0.0 110.174 -169.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 69.8 t -49.55 125.26 3.19 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 122.926 0.49 . . . . 0.0 110.034 -179.333 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.31 -7.12 80.8 Favored Glycine 0 CA--C 1.529 0.945 0 C-N-CA 124.375 0.988 . . . . 0.0 114.994 -176.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -76.58 155.44 33.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 CA-C-N 119.087 1.444 . . . . 0.0 111.645 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 66.1 m -128.78 147.19 50.77 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.627 0.771 . . . . 0.0 112.232 177.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.452 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 19.0 mm -124.66 156.78 32.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.647 1.979 . . . . 0.0 108.09 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -132.23 136.76 47.23 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 123.955 0.902 . . . . 0.0 110.247 -172.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -132.68 130.69 59.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.187 0.995 . . . . 0.0 109.673 -177.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 64.7 -130.68 36.99 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.108 -0.797 . . . . 0.0 111.108 -179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -126.65 2.31 6.8 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.664 0.785 . . . . 0.0 112.242 177.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -134.72 -13.53 2.22 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.874 1.065 . . . . 0.0 113.874 -169.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -111.2 135.78 49.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.074 0.852 . . . . 0.0 110.763 -173.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -130.07 141.51 50.7 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.414 1.086 . . . . 0.0 109.498 172.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -123.35 137.63 55.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.49 1.116 . . . . 0.0 108.771 -177.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 17.7 m -129.64 143.38 50.8 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.906 0.882 . . . . 0.0 109.895 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -98.01 112.64 30.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 N-CA-C 108.513 -0.921 . . . . 0.0 108.513 168.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.87 -23.12 39.28 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -176.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.25 -169.14 36.74 Favored Glycine 0 C--N 1.338 0.658 0 C-N-CA 123.284 0.469 . . . . 0.0 113.259 167.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 29.4 m -125.53 155.9 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.66 0.784 . . . . 0.0 111.497 -179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.1 m -138.76 62.17 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.973 1.309 . . . . 0.0 109.575 -174.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.26 -120.67 9.54 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -173.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 10.4 tt0 -78.64 -4.87 51.13 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.457 0.703 . . . . 0.0 112.1 176.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -98.91 160.75 14.04 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.017 0.913 . . . . 0.0 112.344 169.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 61.0 t -140.59 126.47 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 126.38 1.872 . . . . 0.0 108.12 -169.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 61.8 ttt180 -104.89 101.85 11.42 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.673 0.789 . . . . 0.0 110.371 -175.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 46.7 mt -107.63 139.39 29.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 125.816 1.646 . . . . 0.0 109.753 -172.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -114.61 142.23 17.47 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 124.101 0.857 . . . . 0.0 111.441 169.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -115.51 138.03 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.224 1.41 . . . . 0.0 108.31 177.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -126.92 75.03 1.54 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.519 1.127 . . . . 0.0 109.242 178.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.08 153.85 44.47 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 125.151 1.38 . . . . 0.0 110.697 175.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 61.9 Cg_endo -72.93 155.22 53.28 Favored 'Trans proline' 0 N--CA 1.45 -1.052 0 C-N-CA 122.503 2.135 . . . . 0.0 110.525 177.101 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 40.4 mtpt -68.58 -4.66 16.13 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.773 0.657 . . . . 0.0 112.773 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -69.4 -23.11 63.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 123.934 0.894 . . . . 0.0 111.942 169.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.0 m -120.08 144.06 29.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 CA-C-O 122.097 0.951 . . . . 0.0 111.849 174.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -77.76 143.08 38.28 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.406 1.082 . . . . 0.0 111.359 -176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 28.4 t -127.19 120.45 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.318 0.647 . . . . 0.0 109.549 170.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.403 ' CE1' ' H22' ' G' ' 49' ' ' ' G' . 98.8 m-70 -149.27 -175.97 5.19 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.79 0.836 . . . . 0.0 110.69 -177.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -132.38 165.87 23.27 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-O 118.938 -0.553 . . . . 0.0 111.686 171.246 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -62.89 -24.02 67.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.702 1.001 . . . . 0.0 113.702 -169.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.44 ' HB3' ' HE ' ' A' ' 44' ' ' ARG . 40.1 tt0 -64.01 -20.06 65.64 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.326 1.051 . . . . 0.0 112.377 173.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -126.86 -25.12 1.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.492 1.517 . . . . 0.0 110.847 -173.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . 0.419 ' HA ' HD12 ' A' ' 51' ' ' ILE . 63.6 t80 -60.2 -31.28 70.0 Favored 'General case' 0 N--CA 1.451 -0.409 0 O-C-N 120.415 -1.428 . . . . 0.0 110.049 179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -80.55 -9.87 59.76 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 123.732 0.813 . . . . 0.0 112.021 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -89.0 -26.47 21.46 Favored 'General case' 0 N--CA 1.457 -0.122 0 C-N-CA 124.138 0.975 . . . . 0.0 111.158 169.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.71 HG22 HE21 ' A' ' 52' ' ' GLN . 75.4 mt -69.65 -50.84 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.112 0.965 . . . . 0.0 109.191 173.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.71 HE21 HG22 ' A' ' 51' ' ' ILE . 40.4 mm-40 -84.09 5.18 27.0 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.13 -33.0 74.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 122.9 0.48 . . . . 0.0 112.017 175.3 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 166.25 33.39 0.02 OUTLIER Glycine 0 CA--C 1.524 0.656 0 CA-C-O 120.016 -0.324 . . . . 0.0 112.999 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 51' ' ' ILE . 14.3 mt -116.99 -172.88 2.29 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.015 1.326 . . . . 0.0 108.239 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.3 p 56.56 20.58 5.02 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 125.301 1.44 . . . . 0.0 113.813 177.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.05 157.47 44.94 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 125.231 1.412 . . . . 0.0 111.061 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -74.31 174.21 12.9 Favored 'Trans proline' 0 N--CA 1.452 -0.937 0 C-N-CA 123.092 2.528 . . . . 0.0 112.897 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 36.0 t70 . . . . . 0 N--CA 1.454 -0.242 0 C-N-CA 124.807 1.243 . . . . 0.0 112.26 -176.567 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.6 tpp . . . . . 0 N--CA 1.475 0.785 0 CA-C-O 119.678 -0.201 . . . . 0.0 110.77 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -115.35 124.06 50.28 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.143 1.377 . . . . 0.0 107.298 168.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.407 HD11 " C4'" ' G' ' 52' ' ' ' A' . 57.8 mt -119.29 140.56 42.85 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 N-CA-C 112.591 0.589 . . . . 0.0 112.591 -165.023 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 88.2 mt -136.91 141.57 42.7 Favored 'General case' 0 N--CA 1.451 -0.376 0 C-N-CA 125.202 1.401 . . . . 0.0 110.841 -176.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 33.0 m -120.23 104.8 10.37 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 175.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 15.4 mtp85 -129.8 163.26 26.63 Favored 'General case' 0 N--CA 1.457 -0.11 0 C-N-CA 123.939 0.896 . . . . 0.0 110.633 -170.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.2 ptmt -97.37 170.21 9.22 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 112.848 0.684 . . . . 0.0 112.848 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -64.74 134.13 29.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.743 176.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.37 -2.79 68.39 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-O 119.064 -0.853 . . . . 0.0 114.352 -175.004 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 -85.91 161.81 18.87 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.917 1.359 . . . . 0.0 111.906 174.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 60.7 m -129.44 146.92 51.22 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 123.415 0.686 . . . . 0.0 111.878 -176.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.445 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 11.1 mt -130.44 153.78 39.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 C-N-CA 125.729 1.612 . . . . 0.0 109.074 -172.259 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -136.18 141.47 44.06 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.639 -0.663 . . . . 0.0 112.218 -169.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 61.2 mt -134.6 131.11 53.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.88 0.872 . . . . 0.0 109.931 177.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.05 -136.95 50.82 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 -177.279 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -125.74 4.92 7.42 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.931 0.893 . . . . 0.0 112.602 173.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -115.64 -16.88 11.24 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.18 134.97 61.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 CA-C-N 119.315 0.961 . . . . 0.0 111.368 -169.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 18.0 m -132.78 151.0 52.09 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.863 1.265 . . . . 0.0 109.961 170.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.93 147.6 33.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 C-N-CA 126.289 1.836 . . . . 0.0 108.043 -178.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 26.6 m -138.54 125.99 21.85 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 122.914 0.485 . . . . 0.0 110.057 174.327 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -80.44 103.21 7.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 172.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 23.4 mt -73.06 -31.24 64.28 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.195 -0.315 . . . . 0.0 110.674 -176.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.35 168.99 20.63 Favored Glycine 0 C--N 1.335 0.503 0 N-CA-C 112.124 -0.39 . . . . 0.0 112.124 174.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.5 m -97.63 146.95 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 CA-C-O 121.542 0.687 . . . . 0.0 110.165 175.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 20.0 t -125.31 70.36 1.17 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 125.156 1.382 . . . . 0.0 107.411 176.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.04 -123.69 6.19 Favored Glycine 0 CA--C 1.524 0.597 0 CA-C-N 115.287 -0.87 . . . . 0.0 111.241 -171.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.41 8.23 41.35 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 123.102 0.561 . . . . 0.0 110.961 172.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 16.6 mt-30 -98.96 154.05 18.37 Favored 'General case' 0 N--CA 1.448 -0.544 0 C-N-CA 124.1 0.96 . . . . 0.0 109.263 170.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 19.8 t -136.6 113.36 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 N-CA-C 108.909 -0.775 . . . . 0.0 108.909 -168.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -86.71 119.12 26.61 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.741 1.217 . . . . 0.0 109.524 -179.08 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -133.61 133.32 57.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 123.79 0.836 . . . . 0.0 110.047 -169.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.75 137.32 13.61 Favored Glycine 0 CA--C 1.523 0.559 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 169.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 51.0 mt -117.28 132.66 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 121.816 0.817 . . . . 0.0 109.192 173.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.2 t-20 -132.26 77.24 1.74 Allowed 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 114.706 -1.134 . . . . 0.0 109.602 -167.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.32 156.84 63.03 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.021 -1.445 . . . . 0.0 109.404 175.667 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -57.93 156.09 30.24 Favored 'Trans proline' 0 N--CA 1.447 -1.239 0 C-N-CA 121.768 1.646 . . . . 0.0 110.554 169.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -67.36 -0.67 3.8 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 123.32 0.648 . . . . 0.0 112.175 169.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.84 -23.69 66.73 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.536 1.535 . . . . 0.0 111.512 172.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 12.6 m -114.49 144.09 22.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 124.455 1.102 . . . . 0.0 110.532 179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.37 142.97 28.92 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.433 0.635 . . . . 0.0 111.499 169.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 16.7 t -144.38 99.7 0.6 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 114.704 -1.134 . . . . 0.0 109.295 -166.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.91 163.22 36.82 Favored 'General case' 0 CA--C 1.524 -0.048 0 C-N-CA 123.163 0.585 . . . . 0.0 112.14 178.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.452 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.4 ptm180 -71.51 158.34 36.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 123.012 0.525 . . . . 0.0 111.397 169.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -51.04 -41.84 60.11 Favored 'General case' 0 N--CA 1.457 -0.098 0 C-N-CA 123.859 0.864 . . . . 0.0 112.277 -175.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.7 tp10 -47.99 -48.66 32.37 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 122.835 0.454 . . . . 0.0 110.956 177.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.1 mm -76.69 -47.53 28.53 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 C-N-CA 125.058 1.343 . . . . 0.0 110.01 -174.16 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -51.21 -38.03 50.1 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 124.464 1.106 . . . . 0.0 111.874 179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 67.7 mt-30 -68.12 -25.58 65.37 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 113.004 0.742 . . . . 0.0 113.004 -174.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -82.17 -39.11 23.66 Favored 'General case' 0 CA--C 1.521 -0.163 0 CA-C-N 119.053 0.842 . . . . 0.0 110.587 172.155 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.525 HG22 ' NE2' ' B' ' 52' ' ' GLN . 98.2 mt -62.6 -40.17 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 -176.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.525 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.6 mm-40 -80.67 4.94 17.09 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 173.754 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -82.52 -9.98 59.19 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 123.45 0.7 . . . . 0.0 112.459 169.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 127.65 43.97 0.23 Allowed Glycine 0 CA--C 1.524 0.646 0 CA-C-O 119.599 -0.556 . . . . 0.0 113.888 169.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 pp -168.25 -175.53 2.62 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.689 0.744 . . . . 0.0 112.628 -167.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.1 p -130.84 177.77 7.17 Favored 'General case' 0 N--CA 1.455 -0.218 0 C-N-CA 125.221 1.408 . . . . 0.0 109.099 167.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -37.25 122.86 0.88 Allowed Pre-proline 0 N--CA 1.454 -0.261 0 C-N-CA 124.678 1.191 . . . . 0.0 111.923 -177.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 97.1 Cg_exo -53.31 151.85 21.58 Favored 'Trans proline' 0 N--CA 1.452 -0.912 0 C-N-CA 123.634 2.889 . . . . 0.0 113.376 -173.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 CA--C 1.529 0.172 0 C-N-CA 124.284 1.033 . . . . 0.0 113.499 170.314 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.449 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 22.2 tpp . . . . . 0 N--CA 1.474 0.766 0 N-CA-C 117.707 2.484 . . . . 0.0 117.707 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -125.79 105.56 9.05 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 126.567 1.947 . . . . 0.0 106.119 164.757 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -82.68 137.63 20.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.318 0 C-N-CA 124.431 1.092 . . . . 0.0 109.922 -179.716 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 89.6 mt -133.11 140.83 47.85 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.721 1.208 . . . . 0.0 110.186 172.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 30.0 p -103.07 128.4 49.97 Favored 'General case' 0 CA--C 1.522 -0.105 0 C-N-CA 122.835 0.454 . . . . 0.0 110.81 170.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.425 ' CG ' HD11 ' C' ' 12' ' ' ILE . 21.6 mmm180 -120.52 153.82 36.17 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.442 0.697 . . . . 0.0 110.39 174.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.528 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 9.5 tptm -90.39 162.04 15.3 Favored 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 107.513 -1.291 . . . . 0.0 107.513 167.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 33.3 m -60.8 139.45 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.075 0 O-C-N 120.909 -1.12 . . . . 0.0 111.754 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.1 -0.5 89.39 Favored Glycine 0 CA--C 1.529 0.939 0 C-N-CA 124.753 1.168 . . . . 0.0 113.781 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 83.2 mt-10 -90.58 166.78 13.01 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 118.966 1.383 . . . . 0.0 112.006 177.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 75.2 m -128.63 162.89 26.28 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -169.409 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.425 HD11 ' CG ' ' C' ' 6' ' ' ARG . 12.1 mt -140.75 160.64 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 C-N-CA 127.293 2.237 . . . . 0.0 108.221 -179.505 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -131.04 147.36 52.62 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.718 1.207 . . . . 0.0 111.36 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 72.0 mt -134.53 139.63 47.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 124.546 1.139 . . . . 0.0 108.999 175.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.37 -137.46 49.39 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.305 -0.718 . . . . 0.0 111.305 -173.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -122.62 8.01 9.49 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.007 0.923 . . . . 0.0 111.58 170.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 -130.97 -9.02 3.89 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 124.069 0.947 . . . . 0.0 112.952 -169.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -119.28 138.07 51.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.366 0.666 . . . . 0.0 110.739 -173.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.5 m -130.77 146.18 52.15 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.94 1.296 . . . . 0.0 109.372 175.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -127.07 143.98 38.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.249 1.419 . . . . 0.0 108.146 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 23.2 m -134.27 129.0 34.96 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 122.848 0.459 . . . . 0.0 109.92 173.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.456 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -84.83 112.25 21.64 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 106.538 -1.652 . . . . 0.0 106.538 169.118 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 11.3 mt -82.73 -45.56 14.26 Favored 'General case' 0 N--CA 1.453 -0.308 0 O-C-N 121.666 -0.647 . . . . 0.0 110.138 -169.584 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 179.12 177.67 47.77 Favored Glycine 0 C--N 1.338 0.639 0 C-N-CA 121.671 -0.3 . . . . 0.0 113.072 168.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -112.85 150.58 14.97 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 123.112 0.565 . . . . 0.0 110.846 175.115 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 37.9 m -146.22 108.64 4.46 Favored 'General case' 0 N--CA 1.453 -0.325 0 N-CA-C 106.832 -1.544 . . . . 0.0 106.832 169.399 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.93 -142.07 30.23 Favored Glycine 0 CA--C 1.523 0.568 0 C-N-CA 120.144 -1.027 . . . . 0.0 111.409 -169.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -84.55 0.41 50.06 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.25 1.02 . . . . 0.0 110.84 168.08 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -84.98 145.86 27.51 Favored 'General case' 0 N--CA 1.449 -0.508 0 C-N-CA 125.26 1.424 . . . . 0.0 110.848 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.456 HG13 HD11 ' C' ' 22' ' ' ILE . 38.7 t -133.55 116.28 24.3 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 N-CA-C 107.574 -1.269 . . . . 0.0 107.574 -175.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -78.82 114.94 18.18 Favored 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 108.574 -0.899 . . . . 0.0 108.574 169.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mt -119.64 133.45 66.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 124.899 1.279 . . . . 0.0 109.08 -178.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.3 142.12 15.42 Favored Glycine 0 CA--C 1.523 0.578 0 C-N-CA 124.543 1.068 . . . . 0.0 112.115 174.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 67.5 mt -122.9 130.98 74.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 124.848 1.259 . . . . 0.0 108.641 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t-20 -126.37 97.69 5.15 Favored 'General case' 0 N--CA 1.451 -0.401 0 C-N-CA 123.434 0.694 . . . . 0.0 109.718 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.43 156.07 80.52 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.168 0.987 . . . . 0.0 110.324 177.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -63.86 151.91 83.09 Favored 'Trans proline' 0 N--CA 1.452 -0.946 0 C-N-CA 122.76 2.306 . . . . 0.0 110.946 170.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 3.6 mmmp? -66.96 -0.89 3.44 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.219 0.608 . . . . 0.0 112.578 171.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -65.91 -22.08 66.48 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.352 1.061 . . . . 0.0 111.211 168.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.5 m -126.38 152.9 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.366 1.066 . . . . 0.0 110.714 175.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.63 155.43 19.25 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.831 0.453 . . . . 0.0 111.679 179.249 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 13.9 m -137.56 133.06 45.65 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 123.239 0.616 . . . . 0.0 109.798 169.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -154.23 167.59 29.41 Favored 'General case' 0 N--CA 1.456 -0.168 0 C-N-CA 123.538 0.735 . . . . 0.0 111.607 -175.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . 0.485 ' HA ' HD13 ' D' ' 12' ' ' ILE . 83.8 mtm-85 -75.79 159.87 30.58 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 166.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.19 -32.85 71.48 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 118.299 0.499 . . . . 0.0 111.527 176.631 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -57.97 -47.68 82.23 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.973 0.909 . . . . 0.0 111.787 173.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 29.8 mm -85.66 -30.99 6.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.36 0.664 . . . . 0.0 110.74 -172.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -53.44 -36.91 62.07 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.293 1.037 . . . . 0.0 111.892 178.404 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.2 mt-30 -60.97 -25.87 67.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.573 0.749 . . . . 0.0 112.585 179.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -73.19 -39.4 65.61 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.347 0.659 . . . . 0.0 111.726 173.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp -67.42 -22.05 28.38 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 O-C-N 121.995 -0.441 . . . . 0.0 109.834 176.166 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -94.75 2.1 55.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.8 1.24 . . . . 0.0 113.086 176.468 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.42 4.07 1.5 Allowed 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 -172.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 104.0 27.55 6.23 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.007 0.813 . . . . 0.0 112.517 -178.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 48.4 mt -66.97 -17.68 65.03 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 123.466 0.707 . . . . 0.0 112.307 -177.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 41.2 p -78.71 -15.58 58.28 Favored 'General case' 0 N--CA 1.456 -0.161 0 C-N-CA 124.3 1.04 . . . . 0.0 112.627 175.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.81 79.36 13.5 Favored Pre-proline 0 N--CA 1.452 -0.338 0 C-N-CA 123.972 0.909 . . . . 0.0 110.707 174.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -65.01 174.99 4.16 Favored 'Trans proline' 0 N--CA 1.454 -0.844 0 C-N-CA 123.318 2.679 . . . . 0.0 113.316 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.455 -0.197 0 C-N-CA 124.117 0.967 . . . . 0.0 112.718 178.854 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.542 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.2 tpp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.74 -0.096 . . . . 0.0 110.74 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -120.9 109.49 15.17 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 125.722 1.609 . . . . 0.0 109.232 171.109 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.542 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -102.64 143.27 15.31 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.186 0 C-N-CA 125.578 1.551 . . . . 0.0 110.358 -174.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . 0.414 HD22 HH11 ' C' ' 44' ' ' ARG . 94.1 mt -140.92 166.05 25.84 Favored 'General case' 0 N--CA 1.457 -0.115 0 C-N-CA 125.485 1.514 . . . . 0.0 111.419 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -113.83 112.34 23.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 123.78 0.832 . . . . 0.0 109.118 166.045 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -108.93 144.5 36.79 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.237 0.615 . . . . 0.0 111.12 169.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -86.06 161.4 18.95 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.227 0.611 . . . . 0.0 109.8 168.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.624 HG11 HG12 ' D' ' 25' ' ' VAL . 22.7 m -51.81 138.41 9.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.275 168.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.55 -0.05 86.62 Favored Glycine 0 CA--C 1.525 0.699 0 CA-C-O 119.254 -0.748 . . . . 0.0 114.191 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -99.25 171.7 7.83 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 118.581 1.19 . . . . 0.0 111.885 179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.2 m -136.43 158.76 43.66 Favored 'General case' 0 N--CA 1.456 -0.138 0 N-CA-C 113.475 0.917 . . . . 0.0 113.475 -169.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.485 HD13 ' HA ' ' C' ' 44' ' ' ARG . 36.9 mm -141.07 155.28 21.4 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 C-N-CA 128.075 2.55 . . . . 0.0 108.096 -172.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -133.33 150.16 51.87 Favored 'General case' 0 N--CA 1.455 -0.179 0 O-C-N 121.312 -0.868 . . . . 0.0 112.319 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.6 mt -134.95 139.79 46.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.769 1.228 . . . . 0.0 109.163 178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.76 -135.62 51.57 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.404 -0.679 . . . . 0.0 111.404 -177.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -128.77 10.04 5.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.88 0.872 . . . . 0.0 112.6 173.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 33.5 m-20 -131.94 -6.9 3.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -115.28 136.4 52.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 CA-C-N 119.203 0.91 . . . . 0.0 111.02 -171.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 37.0 m -128.4 147.06 50.62 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.76 1.224 . . . . 0.0 109.846 175.215 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.0 mm -131.04 140.66 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 125.376 1.471 . . . . 0.0 108.228 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 52.0 m -137.21 127.52 26.42 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.241 0.616 . . . . 0.0 109.514 -179.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.6 tp -82.07 107.41 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 172.264 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 55.7 mt -79.82 -30.38 40.45 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.459 0.704 . . . . 0.0 110.842 -171.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 169.72 -175.95 43.72 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 120.988 0.215 . . . . 0.0 113.203 169.585 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.624 HG12 HG11 ' D' ' 8' ' ' VAL . 8.9 p -132.21 132.77 60.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.619 1.167 . . . . 0.0 110.064 -177.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 29.1 t -135.36 90.3 2.6 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 124.936 1.294 . . . . 0.0 108.988 -173.292 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.47 -119.74 9.56 Favored Glycine 0 CA--C 1.524 0.654 0 O-C-N 121.587 -0.696 . . . . 0.0 111.559 -172.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.528 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 2.5 mp0 -93.2 -11.07 33.59 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.866 0.866 . . . . 0.0 110.575 174.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -77.52 149.29 34.96 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-O 121.442 0.639 . . . . 0.0 111.407 173.062 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 62.1 t -135.0 120.01 28.87 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 125.363 1.465 . . . . 0.0 107.055 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 2.3 ttm180 -94.83 109.19 21.2 Favored 'General case' 0 N--CA 1.454 -0.225 0 C-N-CA 124.07 0.948 . . . . 0.0 108.823 -173.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.1 127.15 74.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.633 0.773 . . . . 0.0 109.938 -169.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.26 137.66 13.49 Favored Glycine 0 CA--C 1.523 0.544 0 C-N-CA 124.169 0.89 . . . . 0.0 110.988 173.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . 0.449 ' O ' ' HA ' ' C' ' 1' ' ' MET . 5.2 mp -122.57 141.99 40.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 123.792 0.837 . . . . 0.0 109.06 176.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -138.06 102.98 4.83 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.637 0.775 . . . . 0.0 109.283 -177.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.7 156.81 72.81 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.582 1.153 . . . . 0.0 109.304 -179.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -62.72 151.66 82.57 Favored 'Trans proline' 0 N--CA 1.451 -1.005 0 C-N-CA 122.235 1.956 . . . . 0.0 110.828 170.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -70.27 -1.07 9.28 Favored 'General case' 0 CA--C 1.526 0.029 0 N-CA-C 112.588 0.588 . . . . 0.0 112.588 174.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -67.99 -20.9 65.07 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.872 1.269 . . . . 0.0 111.518 168.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.8 m -126.41 160.06 34.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.391 1.076 . . . . 0.0 110.854 176.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.34 157.1 16.15 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 112.753 0.649 . . . . 0.0 112.753 -175.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -149.78 122.66 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 123.116 0.566 . . . . 0.0 109.89 167.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.8 m-70 -149.41 162.61 39.75 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.628 0.771 . . . . 0.0 111.03 174.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 47.0 mtm180 -60.54 155.37 18.73 Favored 'General case' 0 C--O 1.226 -0.141 0 C-N-CA 122.921 0.488 . . . . 0.0 109.72 169.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 14.9 tm-20 -64.28 -26.27 68.41 Favored 'General case' 0 CA--C 1.53 0.182 0 CA-C-N 118.796 0.725 . . . . 0.0 111.879 178.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -76.03 -18.65 59.17 Favored 'General case' 0 CA--C 1.529 0.156 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 173.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 41.2 mm -98.62 -33.54 4.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.879 1.272 . . . . 0.0 110.658 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -54.55 -44.11 72.57 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 123.94 0.896 . . . . 0.0 110.391 172.063 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 39.8 mt-30 -65.82 -23.94 66.8 Favored 'General case' 0 N--CA 1.453 -0.315 0 N-CA-C 112.96 0.726 . . . . 0.0 112.96 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . 0.484 ' O ' ' HB3' ' D' ' 53' ' ' ALA . 8.7 mtt85 -74.84 -42.18 58.46 Favored 'General case' 0 CA--C 1.52 -0.194 0 CA-C-N 118.699 0.681 . . . . 0.0 110.628 171.734 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.419 ' HA ' ' CD1' ' D' ' 55' ' ' LEU . 68.7 mt -68.58 -29.21 43.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 CA-C-O 121.047 0.451 . . . . 0.0 110.496 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -85.71 2.02 47.08 Favored 'General case' 0 N--CA 1.45 -0.425 0 C-N-CA 124.135 0.974 . . . . 0.0 110.894 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' D' ' 50' ' ' ARG . . . -86.91 1.99 50.75 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 125.089 1.356 . . . . 0.0 112.864 174.515 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 107.75 48.06 0.93 Allowed Glycine 0 CA--C 1.525 0.698 0 CA-C-N 118.467 0.576 . . . . 0.0 113.329 172.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.419 ' CD1' ' HA ' ' D' ' 51' ' ' ILE . 4.0 pp -161.61 174.72 12.94 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.425 1.09 . . . . 0.0 111.447 -173.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 36.3 m -107.23 -43.68 4.53 Favored 'General case' 0 N--CA 1.458 -0.058 0 C-N-CA 123.154 0.582 . . . . 0.0 111.188 168.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.699 ' H ' ' CD ' ' D' ' 58' ' ' PRO . . . -163.42 -26.59 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 126.144 1.778 . . . . 0.0 112.572 169.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . 0.699 ' CD ' ' H ' ' D' ' 57' ' ' ALA . 32.7 Cg_exo -72.91 -171.11 0.71 Allowed 'Trans proline' 0 N--CA 1.454 -0.799 0 C-N-CA 122.552 2.168 . . . . 0.0 112.309 172.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 37.0 t70 . . . . . 0 N--CA 1.452 -0.339 0 C-N-CA 123.822 0.849 . . . . 0.0 112.61 178.305 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 114.874 1.435 . . . . 0.0 114.874 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.6 tt -126.93 136.0 51.69 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 126.364 1.865 . . . . 0.0 108.315 168.628 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 28.8 mm -113.8 137.95 45.24 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 124.25 1.02 . . . . 0.0 109.084 176.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 24.3 tp -154.37 140.88 18.83 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.126 0.57 . . . . 0.0 110.544 -168.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.74 138.15 51.07 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.599 0.76 . . . . 0.0 110.031 178.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tpm_? -142.62 124.31 15.02 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.155 0.982 . . . . 0.0 109.633 -169.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -90.26 165.1 14.11 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 119.891 1.223 . . . . 0.0 112.063 171.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 15.2 m -59.14 138.21 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.15 -169.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.06 -3.87 84.59 Favored Glycine 0 CA--C 1.528 0.862 0 C-N-CA 123.94 0.781 . . . . 0.0 114.391 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 83.4 mt-10 -94.28 176.61 6.24 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.624 1.212 . . . . 0.0 111.068 176.024 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 53.9 m -141.08 158.9 43.29 Favored 'General case' 0 C--O 1.231 0.102 0 N-CA-C 113.779 1.029 . . . . 0.0 113.779 -169.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 72.8 mt -137.82 155.95 31.1 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.129 0 C-N-CA 126.949 2.1 . . . . 0.0 108.583 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -133.25 151.18 51.91 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.331 -0.855 . . . . 0.0 112.828 -176.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 40.8 mt -137.16 143.75 33.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.666 1.186 . . . . 0.0 109.142 179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.6 -138.13 49.36 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.519 -0.632 . . . . 0.0 111.519 -178.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 28.8 m-20 -125.16 9.98 8.06 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.905 0.882 . . . . 0.0 111.821 172.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -141.0 -1.06 1.42 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 113.339 0.866 . . . . 0.0 113.339 -172.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -118.6 136.01 57.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 118.975 0.807 . . . . 0.0 110.904 -174.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 31.6 m -129.15 145.52 51.29 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.52 1.128 . . . . 0.0 110.17 176.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.3 mm -126.19 138.08 55.73 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.721 1.608 . . . . 0.0 108.179 178.018 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 62.3 m -134.51 130.06 36.06 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 122.947 0.499 . . . . 0.0 110.072 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -82.91 106.69 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 174.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -75.21 -28.67 60.06 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.043 0.537 . . . . 0.0 110.92 -175.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.84 -172.32 35.04 Favored Glycine 0 CA--C 1.524 0.628 0 C-N-CA 123.75 0.69 . . . . 0.0 113.399 169.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.6 m -122.33 157.25 27.04 Favored 'Isoleucine or valine' 0 C--N 1.338 0.093 0 C-N-CA 123.625 0.77 . . . . 0.0 111.926 178.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 48.7 m -146.62 92.02 2.1 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.735 1.214 . . . . 0.0 109.451 172.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.39 -116.17 5.09 Favored Glycine 0 CA--C 1.526 0.739 0 O-C-N 121.56 -0.712 . . . . 0.0 111.566 -176.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 20.3 mm100 -86.35 -13.08 47.53 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 117.764 0.782 . . . . 0.0 110.811 169.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 12.2 mt-30 -79.1 154.3 29.48 Favored 'General case' 0 N--CA 1.447 -0.617 0 CA-C-O 121.624 0.726 . . . . 0.0 110.81 -174.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.4 t -146.58 104.56 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.497 0 C-N-CA 126.899 2.079 . . . . 0.0 105.389 -169.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 34.5 ttm180 -86.22 123.44 31.49 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.9 mt -129.38 137.28 57.35 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.091 0 C-N-CA 123.191 0.596 . . . . 0.0 111.207 -168.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.91 144.59 16.08 Favored Glycine 0 CA--C 1.527 0.785 0 C-N-CA 124.565 1.078 . . . . 0.0 111.841 170.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -133.73 131.14 56.62 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.359 1.464 . . . . 0.0 108.79 -178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -132.78 100.2 4.85 Favored 'General case' 0 N--CA 1.45 -0.445 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 -172.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.3 155.82 75.56 Favored Pre-proline 0 N--CA 1.452 -0.372 0 C-N-CA 124.794 1.238 . . . . 0.0 110.267 178.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_endo -60.18 158.13 31.85 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.59 2.193 . . . . 0.0 111.669 171.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -69.17 -0.98 6.72 Favored 'General case' 0 N--CA 1.457 -0.084 0 C-N-CA 123.435 0.694 . . . . 0.0 112.572 169.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -64.93 -23.35 67.2 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 125.194 1.397 . . . . 0.0 111.988 169.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.9 m -123.3 157.85 28.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.197 0.999 . . . . 0.0 110.986 -179.022 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.72 156.69 16.55 Favored 'General case' 0 N--CA 1.452 -0.374 0 C-N-CA 122.976 0.51 . . . . 0.0 111.876 175.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -155.09 125.76 0.84 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 123.151 0.581 . . . . 0.0 110.826 171.093 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.8 m-70 -152.13 171.09 18.44 Favored 'General case' 0 N--CA 1.456 -0.137 0 C-N-CA 124.401 1.081 . . . . 0.0 110.925 179.588 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.0 mtp-105 -68.15 159.64 30.63 Favored 'General case' 0 N--CA 1.455 -0.182 0 O-C-N 121.743 -0.598 . . . . 0.0 109.473 171.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 9.8 tm-20 -60.51 -25.22 65.94 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.277 0.231 . . . . 0.0 111.435 179.002 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 72.0 tt0 -66.04 -51.64 56.34 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 123.993 0.917 . . . . 0.0 111.469 173.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.68 -30.88 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 123.603 0.761 . . . . 0.0 109.778 -175.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 75.3 t80 -56.18 -35.29 67.07 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.587 0.755 . . . . 0.0 112.531 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -70.18 -25.68 63.54 Favored 'General case' 0 N--CA 1.454 -0.256 0 O-C-N 121.734 -0.604 . . . . 0.0 112.265 -179.622 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.07 -24.02 60.62 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.094 0.557 . . . . 0.0 110.209 175.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.507 ' O ' HD21 ' E' ' 55' ' ' LEU . 83.5 mt -99.07 -27.88 3.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.363 0 C-N-CA 125.321 1.448 . . . . 0.0 112.112 -173.549 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 75.8 mm-40 -85.02 3.04 40.47 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 114.694 1.368 . . . . 0.0 114.694 175.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.84 -1.56 7.47 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 171.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . 0.603 ' N ' HD13 ' E' ' 55' ' ' LEU . . . 82.85 97.35 0.53 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 125.221 1.391 . . . . 0.0 115.567 -171.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.603 HD13 ' N ' ' E' ' 54' ' ' GLY . 0.0 OUTLIER -172.01 -1.94 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 124.28 1.032 . . . . 0.0 113.386 -169.206 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . 0.508 ' N ' HD22 ' E' ' 55' ' ' LEU . 17.1 p -64.78 -11.47 37.01 Favored 'General case' 0 C--N 1.339 0.122 0 C-N-CA 124.235 1.014 . . . . 0.0 113.467 -163.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.56 83.64 13.93 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.715 1.206 . . . . 0.0 107.889 166.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 81.4 Cg_exo -53.83 -41.09 77.44 Favored 'Trans proline' 0 N--CA 1.453 -0.863 0 C-N-CA 123.658 2.906 . . . . 0.0 113.336 -171.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 38.9 t70 . . . . . 0 N--CA 1.452 -0.327 0 C-N-CA 123.69 0.796 . . . . 0.0 111.706 -168.53 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.476 0.835 0 CA-C-O 120.484 0.183 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.6 mt -97.29 148.89 22.67 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 123.073 0.549 . . . . 0.0 111.337 175.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -129.07 136.46 59.57 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.948 0.899 . . . . 0.0 108.905 171.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 98.2 mt -132.91 159.57 39.54 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 124.714 1.206 . . . . 0.0 109.846 178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 3.1 m -128.59 98.03 4.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 CA-C-O 121.433 0.635 . . . . 0.0 110.299 169.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.566 ' HD3' HD11 ' F' ' 12' ' ' ILE . 3.0 ttp180 -105.01 162.18 13.57 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 126.079 1.752 . . . . 0.0 110.968 -177.577 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 20.0 pttt -122.92 173.41 7.81 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 169.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 4.2 m -53.17 134.79 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.883 -172.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.57 -9.58 73.73 Favored Glycine 0 CA--C 1.527 0.812 0 C-N-CA 124.287 0.946 . . . . 0.0 114.889 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -87.39 172.62 9.69 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.458 1.629 . . . . 0.0 112.864 178.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 75.5 m -138.98 155.02 48.34 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.495 -0.753 . . . . 0.0 112.82 -177.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.566 HD11 ' HD3' ' F' ' 6' ' ' ARG . 48.5 mm -128.11 157.26 40.39 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 126.857 2.063 . . . . 0.0 108.236 176.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -128.45 150.4 50.16 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.37 0.668 . . . . 0.0 112.125 176.788 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 mt -134.6 143.8 36.72 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.66 1.184 . . . . 0.0 108.963 177.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.26 -134.93 51.92 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.403 -0.679 . . . . 0.0 111.403 -176.074 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -125.56 10.03 7.82 Favored 'General case' 0 CA--C 1.53 0.177 0 C-N-CA 124.049 0.939 . . . . 0.0 111.61 174.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -141.58 -11.94 0.9 Allowed 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 113.766 1.024 . . . . 0.0 113.766 -171.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.3 mp -104.98 136.69 37.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-N 119.133 0.879 . . . . 0.0 110.502 -173.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.0 m -129.33 144.07 51.09 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.374 1.069 . . . . 0.0 110.39 175.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 21.9 mm -124.9 142.25 42.4 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.497 1.519 . . . . 0.0 108.583 176.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 58.7 m -139.48 141.14 37.38 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.642 0.777 . . . . 0.0 110.373 -178.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 3.2 tp -99.1 108.91 23.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 108.674 -0.861 . . . . 0.0 108.674 176.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 13.7 mt -78.46 -32.75 48.55 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 122.897 0.479 . . . . 0.0 110.399 -174.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.19 -177.7 35.64 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 123.173 0.416 . . . . 0.0 113.104 169.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.1 m -112.81 153.93 14.32 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 123.303 0.641 . . . . 0.0 111.782 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 58.5 m -141.57 89.94 2.25 Favored 'General case' 0 N--CA 1.454 -0.244 0 C-N-CA 124.919 1.288 . . . . 0.0 109.247 169.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.63 -103.98 1.29 Allowed Glycine 0 CA--C 1.526 0.763 0 O-C-N 121.947 -0.471 . . . . 0.0 111.938 -179.365 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -98.9 -21.98 16.02 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 117.518 0.659 . . . . 0.0 112.037 171.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.2 mm-40 -71.8 147.24 47.44 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.54 0.686 . . . . 0.0 110.222 177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -135.91 114.59 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 -176.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 55.4 ttt180 -89.39 123.67 33.76 Favored 'General case' 0 N--CA 1.453 -0.304 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 -177.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.3 mt -128.5 141.75 45.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 C-N-CA 124.677 1.191 . . . . 0.0 109.877 -167.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -108.69 138.54 14.77 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.762 -0.935 . . . . 0.0 110.762 170.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -127.0 138.53 54.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.017 0.927 . . . . 0.0 109.541 176.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -136.3 102.19 4.91 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 123.669 0.788 . . . . 0.0 109.759 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.48 158.36 70.01 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 124.276 1.031 . . . . 0.0 111.458 179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -64.87 162.68 31.11 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 122.934 2.422 . . . . 0.0 112.389 174.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.6 mmtt -71.37 -4.66 27.42 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.557 0.743 . . . . 0.0 112.694 172.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -70.48 -17.55 62.97 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.754 1.222 . . . . 0.0 112.482 172.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 14.8 m -129.69 167.91 23.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 C-N-CA 124.018 0.927 . . . . 0.0 111.257 -177.721 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -104.2 163.74 12.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.811 0.844 . . . . 0.0 111.396 173.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.1 125.41 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.587 0.755 . . . . 0.0 110.395 173.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -152.89 177.54 10.64 Favored 'General case' 0 N--CA 1.456 -0.129 0 C-N-CA 123.906 0.882 . . . . 0.0 110.596 175.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 14.2 ptp180 -76.99 166.32 23.48 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 121.814 -0.554 . . . . 0.0 109.808 168.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 8.7 tm-20 -59.56 -29.3 67.83 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 112.227 0.455 . . . . 0.0 112.227 -174.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -61.18 -54.03 49.55 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.347 0.659 . . . . 0.0 110.835 177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 23.0 mm -76.93 -31.12 18.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 122.947 0.499 . . . . 0.0 110.405 -169.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 88.5 t80 -50.33 -35.24 26.86 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.198 0.999 . . . . 0.0 113.034 177.165 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -60.24 -21.97 62.47 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.978 0.911 . . . . 0.0 112.395 -177.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.9 mpt_? -75.64 -45.77 35.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.505 0.722 . . . . 0.0 109.502 176.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.518 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.0 mp -66.62 -22.95 30.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 C-N-CA 124.674 1.189 . . . . 0.0 110.228 -178.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -85.32 -37.78 19.56 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 115.892 1.812 . . . . 0.0 115.892 168.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.28 -27.25 11.64 Favored 'General case' 0 CA--C 1.53 0.188 0 N-CA-C 116.207 1.928 . . . . 0.0 116.207 -167.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -136.59 -19.57 0.65 Allowed Glycine 0 CA--C 1.526 0.757 0 CA-C-N 118.989 0.813 . . . . 0.0 113.344 -169.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 61.3 -177.15 0.12 Allowed 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 127.638 2.375 . . . . 0.0 113.077 169.774 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 40.7 p -94.98 -22.66 17.8 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.14 0.792 . . . . 0.0 113.14 -173.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . 0.653 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -160.93 -31.28 0.0 OUTLIER Pre-proline 0 N--CA 1.452 -0.34 0 C-N-CA 125.586 1.554 . . . . 0.0 112.579 -178.671 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . 0.653 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 34.2 Cg_exo -72.6 179.21 5.39 Favored 'Trans proline' 0 N--CA 1.453 -0.9 0 C-N-CA 121.754 1.636 . . . . 0.0 114.229 -178.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.4 t70 . . . . . 0 N--CA 1.451 -0.379 0 C-N-CA 124.607 1.163 . . . . 0.0 112.122 -169.538 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.916 3.716 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 O4'-C1'-N19 111.414 3.214 . 0.353 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 1 O4'-C1'-N19 112.93 4.73 . 0.523 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.774 4.574 . 0.069 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.468 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 111.441 3.241 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.468 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 C5'-C4'-C3' 108.05 -4.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 0 O4'-C1'-N19 112.166 3.966 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 C3'-C2'-C1' 104.027 2.808 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 0 O5'-C5'-C4' 113.654 2.467 . 0.012 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 0 C3'-C2'-C1' 104.874 3.749 . 0.198 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 1 O4'-C1'-N19 112.217 4.017 . 0.01 7p . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 O4'-C4'-C3' 108.725 2.303 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 C5'-C4'-C3' 110.61 -3.26 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.053 0 C4'-C3'-C2' 100.5 -2.2 . 0.856 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 O4'-C1'-N19 111.697 3.497 . 0.831 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 N19-C1'-C2' 107.942 -3.411 . 0.404 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 0 O4'-C1'-N19 111.246 3.046 . 0.91 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.346 -2.354 . 0.653 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 110.914 2.714 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.855 3.655 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 1 O4'-C1'-N19 112.488 4.288 . 0.48 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.929 0 O4'-C1'-N19 110.938 2.738 . 0.07 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 1 O4'-C1'-N19 113.153 4.953 . 0.5 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 112.19 3.99 . 0.616 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 C5'-C4'-C3' 111.014 -2.991 . 0.647 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 O5'-C5'-C4' 113.71 2.507 . 0.11 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.324 0 C5'-C4'-C3' 111.676 -2.549 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.412 0 C5'-C4'-C3' 112.145 -2.237 . 0.045 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 C5'-C4'-C3' 111.234 -2.844 OUTLIER-DELTA 0.016 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.54 3.34 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.159 0 C4'-C3'-C2' 100.013 -2.687 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 O4'-C1'-N19 111.232 3.032 . 0.639 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 112.125 3.925 . 0.854 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 99.261 -3.439 . 0.61 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C4'-C3'-C2' 99.447 -3.253 . 0.461 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.465 3.265 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C4'-C3'-C2' 100.562 -2.138 . 0.038 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 111.333 3.133 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 C3'-C2'-C1' 104.202 3.002 . 0.215 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 113.43 5.23 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.351 1 C5'-C4'-C3' 109.233 -4.178 . 0.056 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 2 O4'-C1'-N19 114.258 6.058 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 1 O4'-C1'-N19 114.785 6.585 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.055 1 O4'-C1'-N19 112.708 4.508 . 0.176 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.043 1 O4'-C1'-N19 112.45 4.25 . 0.483 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C4'-C3'-C2' 99.77 -2.93 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 112.191 3.991 . 0.42 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 0 O4'-C1'-N19 111.098 2.898 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . 0.403 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C4'-C3'-C2' 99.336 -3.364 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.254 3.054 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . 0.404 " C2'" H5'' ' G' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 C5'-C4'-C3' 111.459 -2.694 . 0.443 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.407 " C4'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.233 2 O5'-C5'-C4' 119.631 6.737 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 C4'-C3'-C2' 100.372 -2.328 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.974 1 O4'-C1'-N19 112.498 4.298 . 0.86 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C4'-C3'-C2' 100.183 -2.517 . 0.477 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 O4'-C1'-N19 111.041 2.841 . 0.766 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.333 0 C3'-C2'-C1' 104.987 3.875 . 0.544 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 O4'-C1'-N19 111.757 3.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 1 O4'-C1'-N19 112.223 4.023 . 0.145 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 O4'-C1'-N19 111.868 3.668 . 0.129 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.122 0 O4'-C1'-N19 111.896 3.696 . 0.347 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 0 O4'-C1'-N19 111.628 3.428 . 0.755 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C5'-C4'-C3' 110.136 -3.576 . 0.582 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 99.502 -3.198 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 O4'-C1'-N19 110.911 2.711 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.357 0 C5'-C4'-C3' 110.761 -3.159 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.324 2 C5'-C4'-C3' 105.737 -6.508 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.416 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.341 1 P-O3'-C3' 125.819 5.099 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 110.771 2.571 . 0.875 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.066 1 O4'-C1'-N19 112.536 4.336 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 C4'-C3'-C2' 99.732 -2.968 . 0.268 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.205 0 O4'-C1'-N19 111.131 2.931 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 tmm? . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 118.788 -0.625 . . . . 0.0 109.478 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -102.77 113.98 27.84 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 118.707 0.685 . . . . 0.0 109.79 -174.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -99.45 140.07 19.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 124.224 1.01 . . . . 0.0 110.522 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.0 mt -133.48 160.75 36.48 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.333 1.053 . . . . 0.0 109.862 172.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 57.7 m -127.99 100.86 6.06 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 108.708 -0.849 . . . . 0.0 108.708 179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.0 mmm180 -127.06 142.76 51.45 Favored 'General case' 0 N--CA 1.455 -0.194 0 O-C-N 121.824 -0.548 . . . . 0.0 110.788 -169.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 mttt -96.48 162.48 13.46 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 124.584 1.154 . . . . 0.0 110.25 -168.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.683 HG11 HG13 ' A' ' 25' ' ' VAL . 31.9 m -62.32 129.3 25.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 119.85 -0.74 . . . . 0.0 112.086 -169.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.94 -6.9 57.02 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.412 1.005 . . . . 0.0 114.174 -174.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.4 mt-10 -90.25 164.15 14.5 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.847 1.323 . . . . 0.0 111.942 178.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.3 m -133.71 147.71 51.38 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 113.277 0.843 . . . . 0.0 113.277 -169.322 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.462 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.8 mm -114.19 154.69 15.53 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 125.442 1.497 . . . . 0.0 109.956 174.396 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -127.39 136.66 52.17 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.1 0.96 . . . . 0.0 110.643 176.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 45.0 mt -131.85 130.55 61.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.511 1.125 . . . . 0.0 109.427 -176.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.43 -129.5 25.56 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.27 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -130.0 3.56 4.85 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.861 0.864 . . . . 0.0 112.431 172.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.1 p-10 -135.15 -13.35 2.11 Favored 'General case' 0 N--CA 1.454 -0.262 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -169.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.2 mt -110.42 138.97 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.935 0.789 . . . . 0.0 110.416 -178.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -136.31 146.82 47.03 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.655 0.782 . . . . 0.0 109.049 173.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 18.3 mm -125.54 141.21 46.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 124.626 1.171 . . . . 0.0 107.954 -177.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 42.2 m -136.12 125.98 25.76 Favored 'General case' 0 CA--C 1.52 -0.186 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 174.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.439 HD12 HG12 ' A' ' 8' ' ' VAL . 0.0 OUTLIER -86.0 105.27 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 176.011 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.52 -33.62 64.85 Favored 'General case' 0 CA--C 1.53 0.179 0 O-C-N 121.741 -0.599 . . . . 0.0 110.384 -169.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.78 -170.97 38.48 Favored Glycine 0 CA--C 1.527 0.788 0 N-CA-C 116.397 1.319 . . . . 0.0 116.397 165.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.683 HG13 HG11 ' A' ' 8' ' ' VAL . 21.5 m -91.23 160.37 2.71 Favored 'Isoleucine or valine' 0 C--O 1.231 0.082 0 C-N-CA 124.4 1.08 . . . . 0.0 111.973 -172.329 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.8 m -151.08 60.95 0.91 Allowed 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.007 0.923 . . . . 0.0 110.623 169.236 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.64 -132.98 12.45 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -170.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 14.9 tt0 -86.42 19.91 2.62 Favored 'General case' 0 CA--C 1.529 0.168 0 C-N-CA 123.839 0.855 . . . . 0.0 111.901 -179.729 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -129.15 153.0 48.12 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 125.006 1.322 . . . . 0.0 110.928 171.087 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.2 t -120.83 134.6 63.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 125.866 1.666 . . . . 0.0 109.9 -167.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 38.4 ttt-85 -98.45 101.92 13.51 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.727 0.811 . . . . 0.0 110.027 176.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 55.0 mt -107.07 134.33 49.07 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 125.279 1.431 . . . . 0.0 109.281 -174.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -111.0 139.74 15.69 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 124.039 0.828 . . . . 0.0 111.749 171.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.9 mp -113.47 138.83 41.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 125.17 1.388 . . . . 0.0 108.747 176.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -126.31 74.96 1.49 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.758 1.223 . . . . 0.0 109.65 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -113.72 153.52 45.92 Favored Pre-proline 0 N--CA 1.453 -0.301 0 CA-C-N 114.574 -1.194 . . . . 0.0 110.991 175.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -75.51 155.84 40.66 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 122.816 2.344 . . . . 0.0 110.633 178.039 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -68.41 -4.08 13.48 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 112.902 0.704 . . . . 0.0 112.902 -177.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -68.72 -25.57 64.83 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 123.961 0.905 . . . . 0.0 112.003 169.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -117.15 144.07 25.88 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 CA-C-O 121.805 0.812 . . . . 0.0 111.653 174.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.33 143.09 32.46 Favored 'General case' 0 N--CA 1.452 -0.373 0 C-N-CA 123.75 0.82 . . . . 0.0 110.849 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 20.0 m -131.54 127.99 60.21 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.708 0.403 . . . . 0.0 110.205 171.418 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.512 ' CD2' HD11 ' A' ' 51' ' ' ILE . 94.3 m-70 -151.66 -175.99 5.43 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.235 1.014 . . . . 0.0 110.011 -171.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -127.44 168.07 15.38 Favored 'General case' 0 N--CA 1.455 -0.209 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 170.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -53.32 -41.87 66.12 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.879 1.272 . . . . 0.0 112.338 -174.456 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -56.89 -25.05 56.15 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 125.368 1.467 . . . . 0.0 112.989 177.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.1 mt -116.32 -23.32 4.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 125.064 1.345 . . . . 0.0 111.086 -173.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -62.57 -32.43 73.41 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 123.394 0.678 . . . . 0.0 110.378 -175.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -75.43 -10.59 59.58 Favored 'General case' 0 N--CA 1.451 -0.423 0 C-N-CA 123.19 0.596 . . . . 0.0 112.134 178.359 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -81.76 -34.21 30.55 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.205 1.002 . . . . 0.0 110.475 169.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.573 HG22 HE21 ' A' ' 52' ' ' GLN . 21.4 mt -63.1 -53.96 39.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.933 0.893 . . . . 0.0 108.633 172.673 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.573 HE21 HG22 ' A' ' 51' ' ' ILE . 80.0 mm-40 -84.16 5.14 27.4 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 123.9 0.88 . . . . 0.0 112.461 -174.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.73 -31.3 68.18 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 122.721 0.408 . . . . 0.0 111.02 168.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 161.51 17.55 0.03 OUTLIER Glycine 0 CA--C 1.525 0.711 0 CA-C-O 118.994 -0.892 . . . . 0.0 113.481 171.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.603 ' O ' HG23 ' A' ' 56' ' ' THR . 14.8 mt -94.24 90.69 6.42 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 118.933 1.367 . . . . 0.0 108.109 -177.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.1 p 162.68 174.53 0.02 OUTLIER 'General case' 0 C--O 1.23 0.073 0 C-N-CA 127.486 2.314 . . . . 0.0 108.347 -169.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -115.94 153.79 48.27 Favored Pre-proline 0 N--CA 1.453 -0.294 0 C-N-CA 123.645 0.778 . . . . 0.0 109.765 167.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 32.9 Cg_endo -72.31 120.47 6.79 Favored 'Trans proline' 0 N--CA 1.45 -1.051 0 C-N-CA 122.187 1.925 . . . . 0.0 109.69 169.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.6 t70 . . . . . 0 N--CA 1.451 -0.424 0 C-N-CA 124.188 0.995 . . . . 0.0 111.783 174.185 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.428 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 32.7 tpp . . . . . 0 N--CA 1.473 0.69 0 CA-C-O 119.81 -0.138 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.26 121.57 43.32 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 107.413 -1.329 . . . . 0.0 107.413 168.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.462 HD11 " H5'" ' G' ' 52' ' ' ' A' . 51.3 mt -118.19 139.83 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.053 0.541 . . . . 0.0 112.077 -165.191 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.8 mt -135.63 143.3 45.46 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 125.278 1.431 . . . . 0.0 110.716 -178.212 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 30.8 m -120.13 102.44 8.52 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 108.609 -0.885 . . . . 0.0 108.609 177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 16.1 mtp85 -130.77 151.89 50.71 Favored 'General case' 0 CA--C 1.52 -0.193 0 C-N-CA 123.92 0.888 . . . . 0.0 112.065 -168.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 20.2 mtpp -77.3 160.07 29.11 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 115.287 -0.869 . . . . 0.0 110.646 -176.064 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.9 m -59.13 137.09 22.05 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 120.637 -0.425 . . . . 0.0 110.04 169.068 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.09 -5.65 68.6 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-O 119.058 -0.856 . . . . 0.0 114.601 -176.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -86.2 160.66 19.13 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 119.034 1.417 . . . . 0.0 112.211 176.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 42.8 m -124.87 146.43 49.31 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 124.222 1.009 . . . . 0.0 111.326 -173.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.433 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 7.4 mt -135.75 151.79 30.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 125.127 1.371 . . . . 0.0 109.157 -170.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -135.96 143.55 44.94 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 62.2 mt -134.91 129.73 51.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.414 1.085 . . . . 0.0 109.747 178.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.02 -136.31 51.0 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 -175.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -121.35 -0.26 9.89 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.714 0.806 . . . . 0.0 112.348 174.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -115.78 -18.41 10.8 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.584 0.754 . . . . 0.0 112.973 -172.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.08 133.12 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 CA-C-N 118.816 0.735 . . . . 0.0 110.77 -171.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 22.7 m -128.87 148.09 50.87 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.249 1.02 . . . . 0.0 109.792 169.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 28.8 mm -126.42 146.22 32.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 C-N-CA 126.027 1.731 . . . . 0.0 107.818 -179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 18.4 m -136.74 129.32 30.33 Favored 'General case' 0 N--CA 1.455 -0.183 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 174.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -81.77 99.69 5.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.442 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 170.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -68.7 -33.08 73.33 Favored 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 122.048 -0.408 . . . . 0.0 110.626 -178.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.36 -176.67 37.01 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 112.299 -0.321 . . . . 0.0 112.299 172.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -111.06 145.04 17.84 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-O 121.175 0.512 . . . . 0.0 110.192 175.371 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 41.0 t -116.63 73.49 0.86 Allowed 'General case' 0 N--CA 1.452 -0.337 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 170.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.52 -117.92 4.9 Favored Glycine 0 CA--C 1.526 0.781 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.649 -172.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.98 9.58 41.6 Favored 'General case' 0 N--CA 1.456 -0.172 0 O-C-N 122.111 -0.64 . . . . 0.0 111.182 174.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -98.9 155.63 17.3 Favored 'General case' 0 N--CA 1.449 -0.516 0 C-N-CA 124.294 1.038 . . . . 0.0 109.608 169.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 15.2 t -134.03 117.63 26.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 N-CA-C 110.15 -0.315 . . . . 0.0 110.15 -173.093 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -84.57 115.7 22.75 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.868 1.267 . . . . 0.0 109.388 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -125.95 129.85 72.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.212 1.005 . . . . 0.0 109.692 -171.187 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.04 140.9 15.28 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 170.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 41.5 mt -124.99 130.59 73.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 CA-C-O 121.957 0.884 . . . . 0.0 109.207 176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -132.94 74.95 1.6 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 114.27 -1.332 . . . . 0.0 109.264 -168.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.57 157.53 51.59 Favored Pre-proline 0 N--CA 1.451 -0.4 0 CA-C-N 114.031 -1.44 . . . . 0.0 109.255 173.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -60.2 154.89 48.89 Favored 'Trans proline' 0 N--CA 1.447 -1.26 0 C-N-CA 121.46 1.44 . . . . 0.0 110.186 168.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.425 ' HE2' " O2'" ' G' ' 28' ' ' ' G' . 12.4 mttt -69.3 -0.7 6.59 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 124.795 1.238 . . . . 0.0 113.01 170.621 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -65.83 -24.84 66.98 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 125.702 1.601 . . . . 0.0 111.131 169.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 10.7 m -112.29 144.15 20.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.584 1.154 . . . . 0.0 110.145 175.453 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.39 143.01 28.88 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.498 0.666 . . . . 0.0 111.381 170.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 12.2 t -142.81 98.69 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 CA-C-N 114.731 -1.122 . . . . 0.0 109.198 -166.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.418 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -143.89 162.29 36.5 Favored 'General case' 0 N--CA 1.457 -0.106 0 C-N-CA 123.83 0.852 . . . . 0.0 111.161 176.459 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.462 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 19.4 ptt-85 -68.34 155.84 38.96 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.046 0.539 . . . . 0.0 111.267 169.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 21.9 mm-40 -55.71 -41.55 73.98 Favored 'General case' 0 CA--C 1.527 0.068 0 C-N-CA 123.292 0.637 . . . . 0.0 112.642 -171.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -61.19 -24.07 66.05 Favored 'General case' 0 N--CA 1.456 -0.139 0 N-CA-C 112.759 0.651 . . . . 0.0 112.759 179.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 mm -86.65 -50.18 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.309 0 C-N-CA 124.023 0.929 . . . . 0.0 110.732 173.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 87.9 t80 -51.1 -35.66 36.32 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 124.448 1.099 . . . . 0.0 111.909 -177.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -70.97 -21.25 62.34 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -176.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.0 mpt_? -79.67 -39.79 30.56 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 119.509 1.05 . . . . 0.0 110.23 169.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.507 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.0 mt -64.14 -40.54 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.325 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 -175.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.507 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.2 mm-40 -80.35 4.98 16.14 Favored 'General case' 0 N--CA 1.453 -0.289 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 173.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.91 -19.52 44.15 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 123.046 0.539 . . . . 0.0 111.566 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.91 46.68 0.08 OUTLIER Glycine 0 C--N 1.338 0.668 0 CA-C-O 119.413 -0.66 . . . . 0.0 114.37 169.025 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.04 -176.07 2.51 Favored 'General case' 0 N--CA 1.455 -0.176 0 CA-C-N 117.944 0.872 . . . . 0.0 112.812 -168.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 32.1 p -126.33 -179.58 4.82 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 125.429 1.492 . . . . 0.0 109.462 167.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -40.79 120.01 1.7 Allowed Pre-proline 0 N--CA 1.454 -0.235 0 C-N-CA 124.33 1.052 . . . . 0.0 111.399 178.086 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -66.71 172.04 10.02 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 121.963 1.775 . . . . 0.0 114.674 -169.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 22.8 t70 . . . . . 0 N--CA 1.452 -0.344 0 CA-C-N 114.327 -1.306 . . . . 0.0 112.417 179.821 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 17.3 tpp . . . . . 0 N--CA 1.475 0.815 0 CA-C-O 119.094 -0.479 . . . . 0.0 109.823 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.69 107.82 17.99 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 168.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -80.74 133.25 29.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 C-N-CA 123.511 0.724 . . . . 0.0 109.526 176.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -128.46 135.02 48.91 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 124.013 0.925 . . . . 0.0 109.143 168.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.7 p -91.5 153.07 20.05 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-O 120.876 0.37 . . . . 0.0 110.308 168.664 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.471 ' HD3' HG13 ' C' ' 12' ' ' ILE . 15.1 ttp180 -146.03 143.63 29.55 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.493 -178.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.5 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 5.0 tptm -99.81 148.41 24.45 Favored 'General case' 0 C--N 1.334 -0.071 0 N-CA-C 108.077 -1.083 . . . . 0.0 108.077 176.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.3 m -56.19 133.09 20.37 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.159 0 CA-C-N 118.921 0.782 . . . . 0.0 112.149 -171.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.97 -10.21 65.91 Favored Glycine 0 CA--C 1.529 0.969 0 C-N-CA 125.313 1.435 . . . . 0.0 114.68 -176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 81.7 mm-40 -90.08 -179.63 5.72 Favored 'General case' 0 CA--C 1.532 0.274 0 CA-C-N 119.595 1.698 . . . . 0.0 112.589 -179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 49.4 m -143.39 160.84 39.81 Favored 'General case' 0 CA--C 1.529 0.14 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -167.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.471 HG13 ' HD3' ' C' ' 6' ' ' ARG . 78.3 mt -134.92 157.11 40.7 Favored 'Isoleucine or valine' 0 C--N 1.338 0.076 0 C-N-CA 127.051 2.14 . . . . 0.0 109.148 177.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -123.42 146.2 48.2 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.583 1.153 . . . . 0.0 111.759 175.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -132.61 137.85 53.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.505 1.122 . . . . 0.0 108.864 173.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.4 -136.15 50.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 -169.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -123.66 8.6 8.88 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.157 169.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -128.76 -9.11 5.0 Favored 'General case' 0 N--CA 1.456 -0.157 0 C-N-CA 124.116 0.966 . . . . 0.0 113.381 -169.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.05 136.62 56.56 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.194 0 CA-C-N 118.596 0.635 . . . . 0.0 110.512 -175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 20.1 m -128.96 141.48 51.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.536 1.134 . . . . 0.0 109.596 173.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 14.9 mm -125.24 140.85 47.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.929 1.292 . . . . 0.0 108.344 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 25.5 m -131.77 135.31 46.69 Favored 'General case' 0 N--CA 1.457 -0.1 0 CA-C-N 118.64 0.655 . . . . 0.0 111.016 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.415 ' CG2' ' HE ' ' C' ' 6' ' ' ARG . 4.0 tp -84.7 104.38 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.091 -1.077 . . . . 0.0 108.091 168.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.7 mt -78.03 -37.75 46.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -176.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.64 -172.45 41.84 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 112.565 -0.214 . . . . 0.0 112.565 167.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.5 m -109.35 162.08 7.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 121.211 0.529 . . . . 0.0 111.268 175.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -142.2 71.06 1.34 Allowed 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.998 1.319 . . . . 0.0 108.729 179.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.22 -109.0 2.66 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 109.57 -1.412 . . . . 0.0 109.57 -168.56 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -96.33 -8.39 32.73 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 124.182 0.993 . . . . 0.0 112.176 175.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -75.88 158.58 31.91 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 121.83 0.824 . . . . 0.0 112.199 172.045 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.8 t -137.83 108.9 5.62 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.546 0 C-N-CA 126.198 1.799 . . . . 0.0 106.59 -179.662 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm180 -77.48 113.06 14.9 Favored 'General case' 0 N--CA 1.456 -0.17 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 171.423 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -111.61 128.89 67.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.674 1.19 . . . . 0.0 109.841 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.71 139.19 15.27 Favored Glycine 0 CA--C 1.523 0.548 0 C-N-CA 125.031 1.301 . . . . 0.0 110.893 169.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 68.5 mt -128.82 131.28 68.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 N-CA-C 108.078 -1.082 . . . . 0.0 108.078 176.29 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -132.47 95.38 3.61 Favored 'General case' 0 N--CA 1.45 -0.433 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 -173.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.94 154.55 68.57 Favored Pre-proline 0 N--CA 1.452 -0.336 0 C-N-CA 123.846 0.858 . . . . 0.0 110.425 -176.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 19.3 Cg_endo -63.38 154.36 68.77 Favored 'Trans proline' 0 N--CA 1.451 -0.976 0 C-N-CA 122.95 2.433 . . . . 0.0 111.352 172.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmmm -66.63 -1.01 3.24 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 123.321 0.649 . . . . 0.0 112.604 171.366 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 21.1 t70 -65.89 -22.84 66.54 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.217 1.007 . . . . 0.0 111.346 169.188 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.84 148.81 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.137 0.975 . . . . 0.0 110.653 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.25 154.55 21.87 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 122.716 0.406 . . . . 0.0 111.188 175.445 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.63 129.31 34.63 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.094 0 C-N-CA 123.169 0.588 . . . . 0.0 109.553 169.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -155.04 156.0 35.11 Favored 'General case' 0 CA--C 1.522 -0.112 0 CA-C-N 118.299 0.499 . . . . 0.0 112.006 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 28.7 ptt-85 -75.76 161.64 28.86 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 166.515 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -59.57 -33.14 71.07 Favored 'General case' 0 N--CA 1.456 -0.155 0 N-CA-C 112.766 0.654 . . . . 0.0 112.766 -169.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -58.15 -45.12 87.97 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.626 0.77 . . . . 0.0 111.632 176.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 27.4 mm -88.54 -30.62 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 123.306 0.642 . . . . 0.0 110.64 -172.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -52.0 -38.14 55.72 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.722 0.809 . . . . 0.0 112.252 178.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -58.95 -30.82 68.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 123.764 0.826 . . . . 0.0 112.511 -179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 71.4 ttt-85 -70.15 -35.66 74.19 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.301 0.64 . . . . 0.0 111.73 175.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.2 mp -70.29 -19.9 22.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 O-C-N 121.844 -0.535 . . . . 0.0 110.046 177.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 72.3 mm-40 -93.19 2.07 56.82 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.808 0.843 . . . . 0.0 112.632 173.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.64 -2.63 50.96 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.724 0.81 . . . . 0.0 113.029 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 98.0 104.87 2.4 Favored Glycine 0 C--N 1.337 0.591 0 C-N-CA 124.303 0.954 . . . . 0.0 111.393 179.292 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 72.7 mt -132.54 -179.83 5.69 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 124.557 1.143 . . . . 0.0 110.879 -175.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 26.6 m 67.92 134.27 0.03 OUTLIER 'General case' 0 N--CA 1.455 -0.175 0 C-N-CA 126.429 1.892 . . . . 0.0 112.048 -172.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 47.28 73.48 0.99 Allowed Pre-proline 0 N--CA 1.454 -0.243 0 C-N-CA 125.039 1.335 . . . . 0.0 112.422 -169.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 33.2 Cg_exo -62.49 172.42 4.44 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 123.344 2.696 . . . . 0.0 113.498 -177.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 . . . . . 0 N--CA 1.454 -0.236 0 C-N-CA 123.982 0.913 . . . . 0.0 112.916 179.567 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 4.2 mmm . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 110.856 -0.053 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -125.37 111.4 15.1 Favored 'General case' 0 N--CA 1.451 -0.424 0 C-N-CA 124.705 1.202 . . . . 0.0 108.346 168.209 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -107.71 139.0 31.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.225 0 C-N-CA 124.786 1.234 . . . . 0.0 109.62 -173.629 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -156.76 159.88 38.73 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.289 0.635 . . . . 0.0 112.034 172.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -94.61 138.48 32.43 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.138 0.575 . . . . 0.0 111.358 173.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -130.94 145.04 51.9 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.467 1.107 . . . . 0.0 108.688 167.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 25.0 mtmt -94.77 163.44 13.35 Favored 'General case' 0 CA--C 1.521 -0.171 0 CA-C-N 118.25 0.477 . . . . 0.0 111.343 173.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.512 HG11 HG12 ' D' ' 25' ' ' VAL . 31.4 m -49.22 138.76 4.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.126 0 N-CA-C 112.37 0.507 . . . . 0.0 112.37 177.077 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.43 -1.79 84.43 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 124.097 0.856 . . . . 0.0 114.002 177.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 73.9 mt-10 -99.93 172.42 7.24 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-N 118.536 1.168 . . . . 0.0 112.472 -176.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 50.7 m -132.0 158.34 41.76 Favored 'General case' 0 N--CA 1.456 -0.165 0 N-CA-C 113.45 0.907 . . . . 0.0 113.45 -169.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 3.5 mt -143.9 164.45 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 126.909 2.084 . . . . 0.0 108.51 -177.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 m120 -143.59 146.01 32.96 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.105 0.962 . . . . 0.0 111.78 -171.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 69.7 mt -134.11 136.9 52.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.865 1.266 . . . . 0.0 109.158 175.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.2 -136.37 51.01 Favored Glycine 0 CA--C 1.526 0.725 0 N-CA-C 111.379 -0.688 . . . . 0.0 111.379 -175.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -123.46 7.04 8.95 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.981 0.912 . . . . 0.0 111.821 172.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 m-20 -131.15 -10.96 3.72 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 113.399 0.889 . . . . 0.0 113.399 -172.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -115.08 136.1 52.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-N 118.836 0.744 . . . . 0.0 110.503 -173.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 88.6 m -131.14 143.8 50.91 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.422 1.089 . . . . 0.0 109.842 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -123.45 143.09 37.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.816 1.246 . . . . 0.0 108.354 175.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 11.7 m -133.07 129.13 37.62 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.536 0.735 . . . . 0.0 109.19 176.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -83.77 102.99 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 170.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 37.2 mt -75.0 -33.07 61.79 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.231 0.613 . . . . 0.0 110.549 -173.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.62 179.31 43.32 Favored Glycine 0 CA--C 1.524 0.624 0 CA-C-O 121.115 0.286 . . . . 0.0 113.171 169.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.512 HG12 HG11 ' D' ' 8' ' ' VAL . 7.2 p -121.95 133.1 69.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.299 0 C-N-CA 124.639 1.176 . . . . 0.0 109.597 178.347 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 74.3 m -132.63 72.64 1.5 Allowed 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 124.711 1.204 . . . . 0.0 109.523 -169.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.68 -117.96 4.55 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -173.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.5 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -93.14 -8.72 41.77 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 123.415 0.686 . . . . 0.0 110.563 171.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 15.9 mt-30 -74.04 151.73 40.15 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 121.785 0.803 . . . . 0.0 111.445 169.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 58.0 t -132.88 117.32 29.38 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.539 0 N-CA-C 106.471 -1.677 . . . . 0.0 106.471 173.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 11.9 ttm-85 -92.55 111.28 22.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 124.096 0.958 . . . . 0.0 108.703 -175.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -119.54 123.48 71.19 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 123.52 0.728 . . . . 0.0 110.411 -168.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.98 132.62 11.31 Favored Glycine 0 CA--C 1.522 0.504 0 N-CA-C 110.602 -0.999 . . . . 0.0 110.602 170.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 59.1 mt -120.48 140.03 45.85 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 N-CA-C 108.523 -0.917 . . . . 0.0 108.523 177.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -138.09 100.84 4.26 Favored 'General case' 0 N--CA 1.45 -0.427 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 -174.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -132.71 154.41 81.46 Favored Pre-proline 0 N--CA 1.451 -0.385 0 C-N-CA 124.236 1.014 . . . . 0.0 109.342 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.5 Cg_endo -60.34 149.97 82.98 Favored 'Trans proline' 0 N--CA 1.452 -0.97 0 C-N-CA 122.011 1.807 . . . . 0.0 110.67 170.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 2.4 mmmm -67.8 -2.87 7.92 Favored 'General case' 0 CA--C 1.529 0.147 0 C-N-CA 123.202 0.601 . . . . 0.0 112.346 174.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 -21.59 66.43 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.855 1.262 . . . . 0.0 111.649 169.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.0 m -125.18 156.95 34.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 C-N-CA 124.135 0.974 . . . . 0.0 110.622 175.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.34 156.96 16.1 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.923 0.489 . . . . 0.0 111.996 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -145.48 126.87 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 O-C-N 122.042 -0.411 . . . . 0.0 109.921 168.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -148.77 159.21 44.35 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.475 0.71 . . . . 0.0 111.194 173.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.3 ttp180 -64.64 152.6 41.79 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 122.707 0.403 . . . . 0.0 110.046 169.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 8.6 tm-20 -59.37 -36.04 75.03 Favored 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 118.959 0.799 . . . . 0.0 112.316 -171.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -68.48 -28.67 67.23 Favored 'General case' 0 N--CA 1.456 -0.151 0 N-CA-C 112.957 0.725 . . . . 0.0 112.957 175.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 27.5 mm -80.95 -39.94 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.288 0 C-N-CA 123.756 0.822 . . . . 0.0 110.456 174.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -52.81 -38.75 61.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.7 1.2 . . . . 0.0 111.817 -175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -62.12 -23.29 66.46 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.974 0.909 . . . . 0.0 113.018 -178.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -71.75 -39.48 70.0 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-N 118.688 0.676 . . . . 0.0 110.63 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.759 HD11 ' C2 ' ' G' ' 7' ' ' ' C' . 1.4 mp -73.01 -18.86 18.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 125.917 1.687 . . . . 0.0 109.658 176.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 21.7 mm-40 -91.22 -3.71 56.7 Favored 'General case' 0 N--CA 1.453 -0.29 0 O-C-N 121.49 -0.757 . . . . 0.0 112.899 171.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -111.96 -47.32 3.14 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.158 0.983 . . . . 0.0 112.805 -173.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . 0.422 ' C ' HD13 ' D' ' 55' ' ' LEU . . . -174.21 -3.31 0.03 OUTLIER Glycine 0 CA--C 1.525 0.679 0 CA-C-O 118.946 -0.919 . . . . 0.0 114.663 179.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.422 HD13 ' C ' ' D' ' 54' ' ' GLY . 0.0 OUTLIER 68.89 163.31 0.23 Allowed 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 126.276 1.83 . . . . 0.0 112.411 167.322 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . 0.432 ' HB ' ' N4 ' ' G' ' 7' ' ' ' C' 0.254 0.5 OUTLIER -145.58 -19.22 0.47 Allowed 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 114.834 1.42 . . . . 0.0 114.834 164.776 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -106.06 131.75 21.46 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 122.812 0.445 . . . . 0.0 110.647 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo -66.54 177.58 3.24 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 122.925 2.417 . . . . 0.0 113.69 179.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 . . . . . 0 N--CA 1.455 -0.199 0 C-N-CA 124.398 1.079 . . . . 0.0 112.37 174.521 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 16.8 tpt . . . . . 0 N--CA 1.474 0.743 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 6.3 mt -109.05 147.62 32.08 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.777 0.431 . . . . 0.0 111.368 -177.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.84 117.58 44.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 N-CA-C 108.044 -1.095 . . . . 0.0 108.044 170.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.98 160.44 18.84 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.009 1.323 . . . . 0.0 110.301 -177.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.79 114.44 14.11 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 168.219 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -120.04 147.91 44.23 Favored 'General case' 0 CA--C 1.52 -0.206 0 C-N-CA 124.253 1.021 . . . . 0.0 110.025 -178.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 21.6 pttm -94.46 168.8 10.64 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 120.05 -0.66 . . . . 0.0 111.941 169.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -60.89 139.84 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-O 121.003 0.43 . . . . 0.0 111.867 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.55 -2.52 86.28 Favored Glycine 0 CA--C 1.527 0.795 0 C-N-CA 123.906 0.765 . . . . 0.0 113.979 -177.308 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 -91.75 174.61 7.26 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.651 1.225 . . . . 0.0 111.81 177.73 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 40.5 m -136.05 157.6 46.45 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -174.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mm -137.41 149.65 25.75 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.144 0 C-N-CA 127.542 2.337 . . . . 0.0 107.753 178.014 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.7 m-80 -130.35 152.99 49.16 Favored 'General case' 0 N--CA 1.457 -0.077 0 CA-C-N 119.62 1.1 . . . . 0.0 113.493 -174.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 49.4 mt -137.89 139.21 43.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 125.12 1.368 . . . . 0.0 109.559 -178.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.43 -141.02 47.61 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 111.57 -0.612 . . . . 0.0 111.57 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -118.6 6.93 11.67 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 123.961 0.904 . . . . 0.0 111.641 172.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -138.04 -6.98 1.61 Allowed 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 113.974 1.102 . . . . 0.0 113.974 -169.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.6 mp -117.53 132.36 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 CA-C-N 119.146 0.884 . . . . 0.0 110.779 -174.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 37.1 m -126.47 141.06 52.01 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.039 0.936 . . . . 0.0 110.251 177.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -118.74 137.42 52.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 125.325 1.45 . . . . 0.0 108.404 176.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 14.1 m -132.18 127.95 36.96 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.235 0.614 . . . . 0.0 109.884 -179.08 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -82.62 106.4 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 169.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 12.7 mt -75.07 -31.71 61.3 Favored 'General case' 0 N--CA 1.454 -0.249 0 O-C-N 122.063 -0.398 . . . . 0.0 110.395 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.18 -174.51 36.12 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 169.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 6.1 m -115.46 156.73 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.89 0.876 . . . . 0.0 112.013 -178.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 69.5 m -145.53 90.0 1.97 Allowed 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 125.194 1.398 . . . . 0.0 109.167 170.207 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 66.79 -114.7 6.64 Favored Glycine 0 CA--C 1.525 0.677 0 O-C-N 121.429 -0.794 . . . . 0.0 111.29 -173.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -91.13 -20.49 21.95 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.931 0.865 . . . . 0.0 111.596 172.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 23.9 mm-40 -71.0 149.54 46.53 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.256 0.55 . . . . 0.0 110.664 177.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.6 t -140.82 117.22 7.59 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.405 0 N-CA-C 107.85 -1.167 . . . . 0.0 107.85 -173.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 13.9 mmt85 -80.7 116.43 20.71 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.587 0.755 . . . . 0.0 109.383 175.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -123.87 131.0 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.25 0 C-N-CA 123.495 0.718 . . . . 0.0 110.134 -173.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -101.37 142.66 15.81 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 124.45 1.024 . . . . 0.0 111.565 171.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.2 mt -133.44 125.66 50.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.827 1.251 . . . . 0.0 108.961 -179.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 53.1 t-20 -126.71 99.01 5.6 Favored 'General case' 0 N--CA 1.449 -0.492 0 N-CA-C 109.613 -0.514 . . . . 0.0 109.613 -171.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.57 154.79 78.5 Favored Pre-proline 0 N--CA 1.453 -0.317 0 C-N-CA 124.65 1.18 . . . . 0.0 110.695 178.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_endo -62.49 158.3 41.78 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.985 2.457 . . . . 0.0 112.061 171.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -72.49 -1.05 14.37 Favored 'General case' 0 N--CA 1.457 -0.075 0 C-N-CA 123.393 0.677 . . . . 0.0 112.672 172.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -66.88 -22.48 65.97 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 124.654 1.182 . . . . 0.0 111.808 169.482 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.5 m -122.77 159.27 26.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.159 0.984 . . . . 0.0 110.655 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.75 158.51 15.42 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 112.182 0.438 . . . . 0.0 112.182 177.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.07 128.63 1.21 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.081 0.553 . . . . 0.0 110.237 169.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 4.0 m-70 -149.22 167.37 26.2 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 123.913 0.885 . . . . 0.0 110.533 175.056 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt85 -76.63 162.27 27.88 Favored 'General case' 0 N--CA 1.456 -0.15 0 O-C-N 121.666 -0.646 . . . . 0.0 110.117 169.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -60.13 -28.61 68.01 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -169.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 tp10 -57.64 -53.5 57.45 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.771 0.828 . . . . 0.0 111.508 170.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 23.3 mm -78.04 -32.92 17.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 123.643 0.777 . . . . 0.0 109.734 -169.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -52.44 -35.15 51.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.195 0.998 . . . . 0.0 112.567 177.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 76.4 mt-30 -63.5 -21.89 66.58 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.403 0.681 . . . . 0.0 112.593 -178.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -71.52 -22.97 61.71 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 118.584 0.629 . . . . 0.0 110.746 175.476 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.471 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.9 mp -94.77 -22.99 5.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.968 1.307 . . . . 0.0 109.774 -177.494 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -85.25 -51.12 6.82 Favored 'General case' 0 N--CA 1.454 -0.266 0 N-CA-C 115.991 1.848 . . . . 0.0 115.991 171.164 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.46 -25.62 13.55 Favored 'General case' 0 N--CA 1.455 -0.186 0 N-CA-C 116.3 1.963 . . . . 0.0 116.3 -165.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -123.49 -32.06 0.92 Allowed Glycine 0 CA--C 1.525 0.671 0 CA-C-N 118.831 0.741 . . . . 0.0 112.213 -170.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 64.5 159.51 0.1 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 129.155 2.982 . . . . 0.0 113.323 175.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 39.6 p -92.6 -26.98 17.62 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 115.193 -0.912 . . . . 0.0 112.251 -175.169 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -146.9 90.6 5.39 Favored Pre-proline 0 N--CA 1.453 -0.28 0 C-N-CA 124.172 0.989 . . . . 0.0 109.785 170.003 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -66.22 174.04 6.58 Favored 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.701 2.267 . . . . 0.0 114.655 -177.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 31.3 t0 . . . . . 0 N--CA 1.451 -0.395 0 CA-C-N 114.15 -1.386 . . . . 0.0 111.967 172.837 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 7.1 tpt . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 120.192 0.044 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.0 mt -97.49 148.42 23.24 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 123.26 0.624 . . . . 0.0 111.455 175.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -128.79 136.94 58.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 C-N-CA 123.972 0.909 . . . . 0.0 109.075 170.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -134.01 160.64 37.12 Favored 'General case' 0 N--CA 1.451 -0.409 0 C-N-CA 124.744 1.218 . . . . 0.0 110.102 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.38 99.25 6.23 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 168.246 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.542 ' CD ' HD11 ' F' ' 12' ' ' ILE . 4.3 mmp_? -108.64 144.01 36.95 Favored 'General case' 0 N--CA 1.457 -0.119 0 C-N-CA 124.346 1.059 . . . . 0.0 111.127 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 9.4 ptpp? -102.61 168.28 9.38 Favored 'General case' 0 CA--C 1.521 -0.137 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.3 m -56.36 135.04 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 CA-C-N 115.377 -0.829 . . . . 0.0 112.286 -171.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.82 -8.49 70.77 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.321 0.962 . . . . 0.0 114.266 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 60.6 mt-10 -91.26 167.73 12.1 Favored 'General case' 0 CA--C 1.529 0.163 0 CA-C-N 118.859 1.33 . . . . 0.0 112.319 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 63.4 m -133.21 152.65 51.94 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.423 0.689 . . . . 0.0 112.8 -170.024 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.542 HD11 ' CD ' ' F' ' 6' ' ' ARG . 43.4 mm -133.98 153.99 37.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 126.697 1.999 . . . . 0.0 108.481 -179.345 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -130.6 148.7 52.43 Favored 'General case' 0 N--CA 1.455 -0.22 0 O-C-N 121.553 -0.717 . . . . 0.0 112.288 -177.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.1 mt -135.82 144.06 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.564 1.146 . . . . 0.0 108.98 179.577 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.07 -131.32 51.87 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.154 -0.778 . . . . 0.0 111.154 -174.052 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -128.9 10.0 5.89 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 124.275 1.03 . . . . 0.0 111.374 174.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -140.36 -18.37 0.89 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.501 0.926 . . . . 0.0 113.501 -170.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.9 mp -98.99 137.91 25.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 118.869 0.759 . . . . 0.0 110.413 -172.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 27.4 m -131.7 139.17 48.96 Favored 'General case' 0 N--CA 1.452 -0.329 0 C-N-CA 124.53 1.132 . . . . 0.0 110.183 177.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 18.9 mm -121.67 144.57 30.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 125.367 1.467 . . . . 0.0 108.015 174.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 33.0 m -140.07 126.75 20.47 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 122.994 0.518 . . . . 0.0 109.991 177.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -77.18 118.04 23.18 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 169.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 19.4 mt -88.64 -29.5 19.89 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 123.062 0.545 . . . . 0.0 111.026 -177.179 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.02 -175.31 35.26 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 113.903 0.321 . . . . 0.0 113.903 170.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -123.67 153.69 29.59 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 123.448 0.699 . . . . 0.0 112.137 -178.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.6 m -142.21 89.95 2.21 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 125.182 1.393 . . . . 0.0 109.171 169.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.86 -102.9 1.28 Allowed Glycine 0 CA--C 1.525 0.707 0 O-C-N 121.795 -0.565 . . . . 0.0 111.902 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 6.8 mm-40 -99.52 -18.48 17.38 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 117.565 0.683 . . . . 0.0 112.087 171.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 45.2 mm-40 -74.93 146.1 42.08 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.349 0.595 . . . . 0.0 110.397 179.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -139.48 112.4 5.94 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.399 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 -173.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 50.6 ttm-85 -89.55 125.42 35.2 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.566 0.747 . . . . 0.0 109.263 -177.042 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -132.36 129.9 59.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.158 0 C-N-CA 123.94 0.896 . . . . 0.0 110.411 -168.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.59 142.07 15.92 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 124.155 0.883 . . . . 0.0 111.062 171.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.0 mt -136.58 125.66 37.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.894 0.877 . . . . 0.0 109.256 -172.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -134.09 107.86 7.99 Favored 'General case' 0 N--CA 1.451 -0.406 0 C-N-CA 123.37 0.668 . . . . 0.0 109.721 -172.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.89 157.32 78.05 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 123.705 0.802 . . . . 0.0 111.312 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -64.87 160.62 40.15 Favored 'Trans proline' 0 N--CA 1.451 -1.023 0 C-N-CA 122.801 2.334 . . . . 0.0 112.227 173.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -64.53 -11.52 35.04 Favored 'General case' 0 N--CA 1.456 -0.141 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 171.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -71.57 -15.91 62.29 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.77 1.228 . . . . 0.0 112.507 178.152 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 13.9 m -126.54 166.26 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 123.885 0.874 . . . . 0.0 111.098 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -90.07 157.3 17.85 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.076 0.55 . . . . 0.0 111.564 170.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.1 117.25 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 123.214 0.605 . . . . 0.0 110.428 173.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -153.49 174.56 14.25 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.633 0.773 . . . . 0.0 111.189 -178.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 36.9 ptt180 -80.11 163.32 24.22 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.804 -0.56 . . . . 0.0 110.204 168.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -60.76 -21.33 62.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.324 0.861 . . . . 0.0 113.324 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -63.82 -49.58 72.31 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.672 0.789 . . . . 0.0 110.688 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 16.3 mm -77.97 -31.4 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.271 0 C-N-CA 123.318 0.647 . . . . 0.0 110.004 -173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -56.11 -34.96 66.55 Favored 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 123.823 0.849 . . . . 0.0 112.494 177.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 53.1 mt-30 -71.58 -22.66 61.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.18 0.592 . . . . 0.0 112.55 -177.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 12.2 mpt_? -75.04 -22.97 58.08 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 123.344 0.658 . . . . 0.0 111.103 172.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.9 mt -95.49 -47.73 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 C-N-CA 123.47 0.708 . . . . 0.0 110.27 -169.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 60.9 mm-40 -69.7 2.92 2.83 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 112.908 0.706 . . . . 0.0 112.908 176.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.64 -21.76 65.93 Favored 'General case' 0 N--CA 1.451 -0.414 0 C-N-CA 123.837 0.855 . . . . 0.0 112.388 169.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 156.12 21.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.687 0 N-CA-C 114.709 0.643 . . . . 0.0 114.709 169.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -153.85 -173.78 4.71 Favored 'General case' 0 N--CA 1.455 -0.19 0 CA-C-N 118.507 1.153 . . . . 0.0 111.505 -168.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 6.4 m -121.7 -35.04 3.29 Favored 'General case' 0 N--CA 1.458 -0.056 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 178.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . 0.646 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -158.46 -32.12 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.317 0 CA-C-O 117.873 -1.06 . . . . 0.0 113.709 -169.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . 0.646 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 32.9 Cg_exo -72.99 -179.4 4.26 Favored 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 121.517 1.478 . . . . 0.0 113.464 -176.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 17.9 t70 . . . . . 0 N--CA 1.453 -0.278 0 C-N-CA 124.215 1.006 . . . . 0.0 112.009 173.592 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 0 O4'-C1'-N19 111.769 3.569 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 O4'-C1'-N19 111.905 3.705 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 1 O4'-C1'-N19 112.784 4.584 . 0.679 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.01 0 O4'-C1'-N19 112.058 3.858 . 0.077 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.453 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.181 0 C3'-C2'-C1' 104.205 3.006 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.453 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.127 1 C5'-C4'-C3' 108.978 -4.348 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.759 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.917 0 O4'-C1'-N19 112.017 3.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 C5'-C4'-C3' 111.464 -2.691 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 O5'-C5'-C4' 114.278 2.913 . 0.025 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C3'-C2'-C1' 104.775 3.639 . 0.163 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.252 0 O4'-C1'-N19 111.415 3.215 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 C5'-C4'-C3' 111.702 -2.532 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 1 C5'-C4'-C3' 108.453 -4.698 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 100.33 -2.37 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 0 O4'-C1'-N19 111.745 3.545 . 0.808 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.217 0 N19-C1'-C2' 107.849 -3.469 . 0.441 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 111.688 3.488 . 0.83 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.689 4.489 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.957 0 O4'-C1'-N19 110.948 2.748 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.922 3.722 . 0.598 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 1 O4'-C1'-N19 112.514 4.314 . 0.452 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 0 O4'-C1'-N19 111.097 2.897 . 0.055 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 O4'-C1'-N19 112.661 4.461 . 0.696 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.2 0 O4'-C1'-N19 112.117 3.917 . 0.531 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C5'-C4'-C3' 110.002 -3.666 . 0.286 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.894 0 O4'-C1'-N19 111.01 2.81 . 0.454 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.418 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.316 0 C5'-C4'-C3' 112.191 -2.206 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.425 " O2'" ' HE2' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C5'-C4'-C3' 111.834 -2.444 . 0.049 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 111.292 -2.805 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 C5'-C4'-C3' 109.132 -4.245 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 1 P-O3'-C3' 125.774 5.062 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 O4'-C1'-N19 111.3 3.1 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.166 1 O4'-C1'-N19 112.402 4.202 . 0.84 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 111.751 3.551 . 0.391 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 O4'-C1'-N19 111.066 2.866 . 0.261 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.131 0 O4'-C1'-N19 111.59 3.39 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.204 0 C3'-C2'-C1' 103.54 2.267 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 0 C3'-C2'-C1' 104.111 2.901 . 0.266 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 1 O4'-C1'-N19 113.706 5.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 1 C5'-C4'-C3' 108.931 -4.379 . 0.024 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . 0.403 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.296 2 C3'-C2'-C1' 106.095 5.106 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . 0.403 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.303 1 C5'-C4'-C3' 109.25 -4.166 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.032 1 O4'-C1'-N19 112.902 4.702 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 1 O4'-C1'-N19 112.6 4.4 . 0.417 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 O4'-C1'-N19 111.429 3.229 . 0.444 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 0 O4'-C1'-N19 112.176 3.976 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.349 0 C3'-C2'-C1' 104.501 3.335 . 0.357 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.402 -3.298 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.137 0 C5'-C4'-C3' 110.987 -3.009 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . 0.418 " H2'" H5'' ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.337 0 C3'-C2'-C1' 104.026 2.807 . 0.387 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.462 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.347 3 C5'-C4'-C3' 107.77 -5.153 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . 0.418 H5'' " H2'" ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.073 1 P-O3'-C3' 126.646 5.788 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.448 4.248 . 0.516 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 0 C4'-C3'-C2' 99.743 -2.957 . 0.433 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 O4'-C1'-N19 111.432 3.232 . 0.443 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.036 1 O4'-C1'-N19 112.201 4.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.599 3.399 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 1 O4'-C1'-N19 112.361 4.161 . 0.164 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 O4'-C1'-N19 111.497 3.297 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.393 4.193 . 0.409 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 O4'-C1'-N19 111.975 3.775 . 0.537 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.277 0 O4'-C1'-N19 111.174 2.974 . 0.359 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 0 C4'-C3'-C2' 99.412 -3.288 . 0.011 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 C3'-C2'-C1' 103.97 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.494 0 C5'-C4'-C3' 111.188 -2.875 . 0.149 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 C5'-C4'-C3' 105.079 -6.947 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.267 1 P-O3'-C3' 125.678 4.982 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 110.973 2.773 . 0.744 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 1 O4'-C1'-N19 112.642 4.442 . 0.574 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C4'-C3'-C2' 99.578 -3.122 . 0.351 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.289 0 O4'-C1'-N19 111.404 3.204 . 0.649 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.5 ttp . . . . . 0 N--CA 1.475 0.786 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -96.26 112.51 24.22 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 123.675 0.79 . . . . 0.0 109.848 -177.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.4 mp -95.29 137.66 22.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 123.663 0.785 . . . . 0.0 110.434 178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.4 mt -132.06 153.88 49.98 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.195 0.998 . . . . 0.0 109.56 173.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 25.2 m -127.98 101.01 6.12 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.912 0.885 . . . . 0.0 109.241 -178.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.54 142.92 33.52 Favored 'General case' 0 N--CA 1.455 -0.178 0 N-CA-C 112.117 0.414 . . . . 0.0 112.117 -169.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.62 167.26 19.41 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.182 0.993 . . . . 0.0 112.856 -168.634 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.485 HG13 ' HA2' ' A' ' 24' ' ' GLY . 52.2 t -44.35 130.71 1.57 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 124.452 1.101 . . . . 0.0 110.241 167.456 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.68 -11.73 70.79 Favored Glycine 0 CA--C 1.527 0.793 0 CA-C-O 118.862 -0.965 . . . . 0.0 114.5 179.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 -79.52 172.38 13.87 Favored 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 119.456 1.628 . . . . 0.0 112.477 172.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -147.47 143.72 28.08 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.637 0.775 . . . . 0.0 111.955 -169.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 27.1 mm -113.57 153.44 15.12 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 124.952 1.301 . . . . 0.0 109.982 174.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -122.57 137.3 54.93 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.58 1.152 . . . . 0.0 109.817 178.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 37.3 mt -131.99 125.83 55.6 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 124.375 1.07 . . . . 0.0 109.478 -174.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.87 -128.29 28.84 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -177.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.2 m-20 -125.68 1.45 7.5 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.801 0.841 . . . . 0.0 112.285 179.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 18.5 m-20 -135.1 -25.61 1.36 Allowed 'General case' 0 N--CA 1.456 -0.129 0 N-CA-C 114.056 1.132 . . . . 0.0 114.056 -169.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -100.72 134.94 39.02 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 CA-C-N 119.071 0.85 . . . . 0.0 110.468 -172.533 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -127.35 144.27 51.08 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 123.651 0.78 . . . . 0.0 109.526 170.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.4 mm -124.47 140.5 47.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 125.054 1.342 . . . . 0.0 107.981 -176.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 88.8 m -138.34 132.39 31.47 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 122.985 0.514 . . . . 0.0 110.341 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.439 HG22 ' H ' ' A' ' 22' ' ' ILE . 2.9 tp -83.09 103.28 10.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 171.314 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.9 -29.05 63.93 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.979 -0.451 . . . . 0.0 109.786 -176.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 166.05 -172.52 41.44 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 113.728 0.251 . . . . 0.0 113.728 168.353 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 8.5 p -128.81 145.26 35.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 C-N-CA 123.81 0.844 . . . . 0.0 110.948 -172.155 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 62.3 m -136.98 65.16 1.51 Allowed 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.932 1.293 . . . . 0.0 109.693 -170.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.98 -122.19 12.86 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.494 -0.642 . . . . 0.0 111.494 -174.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -73.97 -12.47 60.65 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.611 0.764 . . . . 0.0 111.812 176.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -99.0 157.72 16.14 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-O 121.823 0.821 . . . . 0.0 112.419 175.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -138.41 125.38 26.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.766 1.627 . . . . 0.0 108.274 -169.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.8 ttt180 -101.62 101.95 12.57 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.477 0.711 . . . . 0.0 110.127 -176.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.1 mt -108.61 131.35 59.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.228 0 C-N-CA 125.139 1.376 . . . . 0.0 109.505 -173.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.9 138.26 14.08 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 123.845 0.736 . . . . 0.0 111.484 169.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.3 mt -112.11 130.4 65.84 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 C-N-CA 125.288 1.435 . . . . 0.0 107.936 177.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -119.28 74.97 1.02 Allowed 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 124.209 1.004 . . . . 0.0 109.363 176.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -105.96 152.85 40.39 Favored Pre-proline 0 N--CA 1.453 -0.312 0 CA-C-N 114.304 -1.316 . . . . 0.0 110.708 173.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.5 Cg_endo -72.15 155.43 56.67 Favored 'Trans proline' 0 N--CA 1.449 -1.142 0 C-N-CA 122.532 2.155 . . . . 0.0 110.398 176.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.5 mtpt -69.18 -1.08 6.97 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.77 0.656 . . . . 0.0 112.77 179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -65.88 -31.06 71.79 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 123.774 0.829 . . . . 0.0 111.358 168.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m -117.98 144.02 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 CA-C-O 121.839 0.828 . . . . 0.0 111.343 -177.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -80.93 143.0 32.95 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 123.818 0.847 . . . . 0.0 110.721 -179.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.52 127.51 59.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.548 0.339 . . . . 0.0 110.345 172.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.47 ' CD2' HD11 ' A' ' 51' ' ' ILE . 95.6 m-70 -151.11 -176.97 5.76 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 124.385 1.074 . . . . 0.0 109.971 -172.284 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.441 ' HA ' ' HA ' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -123.96 167.8 13.66 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 169.952 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -60.63 -33.68 73.14 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.935 0.894 . . . . 0.0 112.564 -173.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -57.97 -25.47 61.04 Favored 'General case' 0 N--CA 1.455 -0.177 0 C-N-CA 124.869 1.268 . . . . 0.0 112.981 173.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -117.63 -24.46 3.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 125.017 1.327 . . . . 0.0 111.168 -172.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -63.82 -30.58 71.66 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 123.487 0.715 . . . . 0.0 110.184 -176.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.07 -13.28 60.47 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 123.667 0.787 . . . . 0.0 111.753 178.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.54 -34.65 35.31 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.342 1.057 . . . . 0.0 110.669 169.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.6 HG22 HE21 ' A' ' 52' ' ' GLN . 26.7 mt -62.95 -54.01 39.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.928 0.891 . . . . 0.0 108.61 172.606 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.6 HE21 HG22 ' A' ' 51' ' ' ILE . 79.8 mm-40 -84.17 5.18 27.29 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 123.855 0.862 . . . . 0.0 112.758 -175.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.06 -28.08 66.12 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 122.58 0.352 . . . . 0.0 111.173 169.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.97 14.23 0.04 OUTLIER Glycine 0 CA--C 1.525 0.677 0 CA-C-O 118.972 -0.904 . . . . 0.0 113.298 173.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.589 ' O ' HG23 ' A' ' 56' ' ' THR . 11.8 mt -92.02 90.58 7.46 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 118.898 1.349 . . . . 0.0 107.806 179.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.589 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.1 p 158.75 147.32 0.01 OUTLIER 'General case' 0 C--O 1.23 0.075 0 C-N-CA 127.651 2.38 . . . . 0.0 108.837 -171.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.14 151.36 46.57 Favored Pre-proline 0 N--CA 1.454 -0.23 0 C-N-CA 123.142 0.577 . . . . 0.0 110.427 167.23 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -75.58 162.02 36.24 Favored 'Trans proline' 0 N--CA 1.451 -1.009 0 C-N-CA 122.962 2.441 . . . . 0.0 111.577 171.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.9 t0 . . . . . 0 N--CA 1.45 -0.425 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.375 177.798 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.759 0 CA-C-O 119.46 -0.305 . . . . 0.0 110.712 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -113.33 123.1 49.32 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.659 -1.237 . . . . 0.0 107.659 168.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 58.5 mt -118.82 139.59 45.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -165.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 91.9 mt -134.56 138.74 44.85 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.974 1.31 . . . . 0.0 110.548 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 32.7 m -115.42 103.76 11.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 175.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 14.6 mtp85 -129.11 157.96 40.3 Favored 'General case' 0 N--CA 1.457 -0.113 0 C-N-CA 123.97 0.908 . . . . 0.0 110.955 -169.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.4 pttp -92.33 170.2 9.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 121.355 0.598 . . . . 0.0 112.575 -178.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.2 m -63.37 135.19 27.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 CA-C-O 121.428 0.632 . . . . 0.0 111.056 176.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.18 -2.25 78.48 Favored Glycine 0 CA--C 1.526 0.77 0 CA-C-N 115.297 -0.865 . . . . 0.0 114.272 -174.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -83.61 155.44 23.22 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.848 1.324 . . . . 0.0 112.087 175.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 58.6 m -123.45 146.02 48.36 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.307 1.043 . . . . 0.0 111.226 -173.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.441 ' HA ' ' HA ' ' A' ' 44' ' ' ARG . 10.3 mt -136.3 151.75 28.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.296 0 C-N-CA 125.243 1.417 . . . . 0.0 109.258 -170.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -135.51 142.24 45.41 Favored 'General case' 0 N--CA 1.457 -0.075 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 -169.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 59.8 mt -134.1 127.7 51.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.627 1.171 . . . . 0.0 109.509 177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.8 -136.72 50.52 Favored Glycine 0 CA--C 1.525 0.657 0 N-CA-C 111.218 -0.753 . . . . 0.0 111.218 -174.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -119.66 -4.14 10.29 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.613 0.765 . . . . 0.0 112.382 172.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -107.18 -20.99 13.12 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.463 0.705 . . . . 0.0 112.795 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.8 mp -118.21 134.54 61.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 CA-C-N 118.853 0.752 . . . . 0.0 111.209 -169.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 17.6 m -129.65 148.41 51.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.789 1.236 . . . . 0.0 109.652 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.6 mm -125.53 144.58 35.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 C-N-CA 126.076 1.75 . . . . 0.0 107.76 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.7 m -136.06 127.18 27.98 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 173.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.793 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.4 tp -79.2 105.77 9.1 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 N-CA-C 107.797 -1.186 . . . . 0.0 107.797 170.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 20.9 mt -73.51 -31.96 63.99 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.754 -0.591 . . . . 0.0 110.94 -177.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.59 157.72 8.56 Favored Glycine 0 C--N 1.336 0.544 0 CA-C-O 121.324 0.402 . . . . 0.0 112.574 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -89.68 144.69 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 173.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.7 t -130.08 73.99 1.56 Allowed 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 175.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 86.33 -135.36 13.25 Favored Glycine 0 CA--C 1.523 0.558 0 C-N-CA 119.767 -1.206 . . . . 0.0 110.493 -170.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.63 13.03 23.34 Favored 'General case' 0 N--CA 1.453 -0.316 0 C-N-CA 123.252 0.621 . . . . 0.0 110.197 167.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 5.4 mm-40 -98.8 143.35 29.24 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.311 -0.996 . . . . 0.0 108.311 170.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.89 117.38 45.95 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.998 -173.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.37 117.56 24.37 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 124.826 1.25 . . . . 0.0 109.088 174.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.793 HG22 ' HA ' ' B' ' 22' ' ' ILE . 6.7 pt -136.9 144.87 31.09 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 123.483 0.713 . . . . 0.0 111.319 -178.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -106.27 144.66 15.86 Favored Glycine 0 C--N 1.335 0.49 0 C-N-CA 124.034 0.826 . . . . 0.0 111.902 176.567 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -124.36 132.14 71.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.364 0 C-N-CA 124.093 0.957 . . . . 0.0 108.667 178.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 30.0 t-20 -130.69 83.11 2.09 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 114.677 -1.147 . . . . 0.0 109.404 -167.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.64 156.01 80.68 Favored Pre-proline 0 N--CA 1.45 -0.463 0 CA-C-N 114.063 -1.426 . . . . 0.0 109.857 -179.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_endo -57.43 154.41 35.75 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 121.506 1.471 . . . . 0.0 110.672 169.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . 0.615 ' HE3' " H1'" ' G' ' 28' ' ' ' G' . 23.9 mmtm -71.15 -0.71 10.31 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.918 -0.489 . . . . 0.0 112.011 171.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -65.94 -25.16 67.0 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 124.969 1.308 . . . . 0.0 112.18 169.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m -108.16 144.06 17.47 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.809 0.844 . . . . 0.0 110.376 176.456 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.79 142.52 27.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-O 121.247 0.546 . . . . 0.0 111.526 171.042 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.7 t -144.22 97.97 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.367 0 CA-C-N 114.954 -1.021 . . . . 0.0 109.608 -166.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.471 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.1 OUTLIER -147.09 160.72 42.08 Favored 'General case' 0 C--N 1.338 0.085 0 C-N-CA 123.632 0.773 . . . . 0.0 111.372 178.139 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.424 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 5.5 ptm180 -62.39 153.23 31.82 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.073 0.549 . . . . 0.0 111.567 169.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 19.0 mm-40 -54.24 -36.19 63.28 Favored 'General case' 0 C--N 1.334 -0.084 0 C-N-CA 123.823 0.849 . . . . 0.0 112.408 -174.511 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.55 -51.22 63.61 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.636 0.653 . . . . 0.0 111.401 175.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -69.47 -44.23 80.11 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.321 0 C-N-CA 124.465 1.106 . . . . 0.0 110.773 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 78.5 t80 -51.43 -37.99 51.31 Favored 'General case' 0 N--CA 1.449 -0.494 0 C-N-CA 124.089 0.956 . . . . 0.0 112.086 -178.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 41.6 mt-30 -68.74 -25.89 64.97 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -175.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.476 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 3.1 mpt_? -79.68 -38.18 34.13 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-N 119.068 0.849 . . . . 0.0 110.295 173.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.518 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.0 mt -64.41 -41.95 93.86 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 -178.421 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.518 ' NE2' HG22 ' B' ' 51' ' ' ILE . 33.6 mm-40 -78.93 4.98 12.68 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 173.749 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.04 -18.26 53.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 O-C-N 121.938 -0.476 . . . . 0.0 111.442 168.625 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.1 45.53 0.09 OUTLIER Glycine 0 CA--C 1.524 0.647 0 CA-C-O 119.414 -0.659 . . . . 0.0 114.284 168.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -168.82 -175.7 2.47 Favored 'General case' 0 N--CA 1.455 -0.214 0 CA-C-N 118.044 0.922 . . . . 0.0 112.952 -168.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 38.2 p -126.07 178.35 5.82 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 125.464 1.505 . . . . 0.0 109.351 167.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.413 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -39.51 117.18 1.15 Allowed Pre-proline 0 N--CA 1.455 -0.182 0 C-N-CA 124.333 1.053 . . . . 0.0 111.271 177.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 52.0 Cg_exo -66.86 167.16 20.29 Favored 'Trans proline' 0 N--CA 1.453 -0.886 0 C-N-CA 121.526 1.484 . . . . 0.0 114.754 -168.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.452 -0.369 0 CA-C-N 114.001 -1.454 . . . . 0.0 111.445 171.079 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . 0.423 ' HA ' ' O ' ' D' ' 34' ' ' ILE . 13.7 tpp . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -121.08 105.72 10.88 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 126.169 1.788 . . . . 0.0 106.213 165.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -81.69 133.03 30.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 C-N-CA 123.373 0.669 . . . . 0.0 109.474 -179.202 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -129.2 134.98 48.24 Favored 'General case' 0 N--CA 1.451 -0.4 0 C-N-CA 124.315 1.046 . . . . 0.0 109.19 169.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.6 p -91.17 151.08 21.11 Favored 'General case' 0 N--CA 1.454 -0.248 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 168.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -146.08 131.75 18.9 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-O 119.444 -0.312 . . . . 0.0 111.28 177.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.494 ' HE2' ' HB2' ' D' ' 28' ' ' GLN . 2.6 tptm -77.57 153.6 33.14 Favored 'General case' 0 N--CA 1.457 -0.118 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 170.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 14.5 m -58.95 135.87 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 CA-C-O 121.005 0.431 . . . . 0.0 111.988 -175.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.39 -1.98 80.18 Favored Glycine 0 CA--C 1.527 0.81 0 C-N-CA 124.602 1.096 . . . . 0.0 114.16 179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -100.75 164.15 11.99 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 119.021 1.411 . . . . 0.0 111.746 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 73.7 m -120.88 161.05 22.2 Favored 'General case' 0 C--O 1.232 0.132 0 N-CA-C 115.135 1.532 . . . . 0.0 115.135 -167.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 54.6 mt -137.04 160.48 36.35 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 C-N-CA 127.692 2.397 . . . . 0.0 108.026 179.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -132.96 150.91 52.12 Favored 'General case' 0 N--CA 1.456 -0.155 0 O-C-N 121.035 -1.041 . . . . 0.0 112.068 179.715 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 67.6 mt -132.58 133.17 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.47 1.108 . . . . 0.0 108.979 174.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.93 -142.01 44.49 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 123.614 0.626 . . . . 0.0 112.048 -176.248 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 36.8 t70 -114.88 0.51 13.78 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.598 1.159 . . . . 0.0 111.321 173.159 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -122.38 -12.07 8.26 Favored 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 -169.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -121.12 134.62 63.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 118.845 0.748 . . . . 0.0 110.869 -173.303 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 33.4 m -120.92 146.8 46.25 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.381 1.072 . . . . 0.0 109.806 170.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 31.9 mm -125.94 141.73 44.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.483 1.513 . . . . 0.0 108.08 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 21.0 m -132.45 135.06 45.8 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 170.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.417 ' HA ' HD12 ' C' ' 22' ' ' ILE . 5.8 tp -90.13 111.41 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.415 0 N-CA-C 107.538 -1.282 . . . . 0.0 107.538 169.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 6.5 mt -85.32 -46.49 10.94 Favored 'General case' 0 N--CA 1.454 -0.243 0 O-C-N 121.859 -0.526 . . . . 0.0 111.136 -167.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 174.4 -178.04 46.36 Favored Glycine 0 C--N 1.336 0.556 0 C-N-CA 120.685 -0.769 . . . . 0.0 113.822 169.624 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -120.3 154.51 23.43 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.08 0 CA-C-O 121.563 0.697 . . . . 0.0 112.223 -178.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -142.25 110.37 5.95 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 126.958 2.103 . . . . 0.0 107.283 172.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.05 -117.21 7.85 Favored Glycine 0 CA--C 1.525 0.683 0 CA-C-N 119.362 0.983 . . . . 0.0 110.851 -169.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -98.19 -9.26 25.95 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 174.469 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -86.33 145.68 26.81 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-O 122.004 0.907 . . . . 0.0 111.637 178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -130.11 116.45 36.88 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.448 0 CA-C-N 114.302 -1.317 . . . . 0.0 107.6 -168.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.7 ttm180 -76.67 114.12 15.07 Favored 'General case' 0 N--CA 1.454 -0.261 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 172.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -110.99 136.58 46.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.884 1.674 . . . . 0.0 109.656 179.466 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.46 138.59 15.0 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.291 0.948 . . . . 0.0 112.037 172.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 56.9 mt -127.46 124.22 63.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 124.772 1.229 . . . . 0.0 108.931 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -119.02 100.17 7.19 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.386 0.674 . . . . 0.0 109.834 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.29 156.2 71.98 Favored Pre-proline 0 N--CA 1.453 -0.319 0 C-N-CA 124.384 1.073 . . . . 0.0 110.191 -178.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_endo -63.61 151.89 82.92 Favored 'Trans proline' 0 N--CA 1.451 -0.98 0 C-N-CA 122.767 2.311 . . . . 0.0 111.212 171.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 12.8 mmtp -65.31 -0.88 2.01 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 123.387 0.675 . . . . 0.0 112.715 172.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -65.99 -24.21 66.73 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.402 1.081 . . . . 0.0 111.516 169.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -120.09 146.46 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 C-N-CA 124.082 0.953 . . . . 0.0 110.308 175.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 153.53 22.44 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 122.69 0.396 . . . . 0.0 111.206 175.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.7 m -138.01 131.18 41.53 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.117 0 C-N-CA 123.017 0.527 . . . . 0.0 109.624 169.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.5 m-70 -155.26 162.53 40.87 Favored 'General case' 0 N--CA 1.456 -0.145 0 C-N-CA 123.105 0.562 . . . . 0.0 112.179 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 9.5 ptp85 -79.03 159.57 27.54 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 166.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 7.8 tm-20 -59.06 -31.85 69.24 Favored 'General case' 0 N--CA 1.456 -0.143 0 N-CA-C 112.454 0.539 . . . . 0.0 112.454 -171.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -58.68 -45.96 88.31 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.693 0.797 . . . . 0.0 111.652 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 26.9 mm -87.51 -30.4 5.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 C-N-CA 123.151 0.58 . . . . 0.0 110.525 -172.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.9 t80 -51.78 -36.98 49.58 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 123.653 0.781 . . . . 0.0 112.238 177.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -60.07 -31.42 69.98 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.641 0.776 . . . . 0.0 112.321 -179.389 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 69.8 ttt-85 -69.97 -36.53 75.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.259 0.624 . . . . 0.0 111.682 174.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.0 mp -68.58 -20.88 25.61 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 O-C-N 121.975 -0.453 . . . . 0.0 110.152 178.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -90.51 -13.75 34.06 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 123.461 0.704 . . . . 0.0 112.564 171.85 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -78.33 -27.11 47.07 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 124.074 0.949 . . . . 0.0 112.042 174.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 101.57 140.71 11.34 Favored Glycine 0 C--N 1.338 0.649 0 C-N-CA 124.061 0.839 . . . . 0.0 111.785 178.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.99 14.34 0.81 Allowed 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.975 0.91 . . . . 0.0 112.716 -169.574 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 16.9 m -62.73 140.86 58.75 Favored 'General case' 0 N--CA 1.455 -0.201 0 C-N-CA 123.613 0.765 . . . . 0.0 111.084 -171.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 50.09 71.88 1.42 Allowed Pre-proline 0 N--CA 1.454 -0.259 0 C-N-CA 124.976 1.31 . . . . 0.0 112.086 -169.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo -55.31 139.02 81.08 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 123.469 2.779 . . . . 0.0 112.699 -176.276 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 35.3 t70 . . . . . 0 CA--C 1.528 0.109 0 C-N-CA 126.715 2.006 . . . . 0.0 114.372 177.095 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.544 ' HG2' HD11 ' D' ' 3' ' ' ILE . 1.5 ttp . . . . . 0 N--CA 1.475 0.803 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -107.58 116.0 31.16 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 125.316 1.446 . . . . 0.0 109.375 172.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.544 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -109.12 141.46 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 125.158 1.383 . . . . 0.0 109.8 -179.175 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -158.94 160.39 35.98 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.8 0.84 . . . . 0.0 111.525 174.718 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 21.1 p -87.56 150.85 23.44 Favored 'General case' 0 N--CA 1.456 -0.141 0 CA-C-O 121.415 0.626 . . . . 0.0 112.143 173.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.3 tpm_? -145.9 130.96 18.3 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 125.123 1.369 . . . . 0.0 108.206 169.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . 0.25 18.4 ptpt -99.14 162.72 12.9 Favored 'General case' 0 CA--C 1.52 -0.176 0 CA-C-N 120.161 1.346 . . . . 0.0 112.714 171.547 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 25.9 m -53.75 137.33 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.12 -0.945 . . . . 0.0 112.494 -167.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -5.58 76.67 Favored Glycine 0 CA--C 1.527 0.804 0 C-N-CA 124.35 0.976 . . . . 0.0 114.016 178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 -95.72 177.16 5.88 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 118.799 1.3 . . . . 0.0 112.27 -179.163 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -135.15 157.75 46.11 Favored 'General case' 0 N--CA 1.457 -0.125 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -169.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 29.5 mt -141.38 159.68 22.26 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.19 0 C-N-CA 127.324 2.25 . . . . 0.0 108.423 -176.41 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 21.0 m120 -137.84 149.18 46.09 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.784 0.833 . . . . 0.0 112.151 -176.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 65.9 mt -134.19 137.61 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.809 1.244 . . . . 0.0 109.195 176.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.22 -137.55 49.85 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.524 -0.63 . . . . 0.0 111.524 -176.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 19.7 m-20 -120.14 4.31 10.86 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 123.785 0.834 . . . . 0.0 112.019 171.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -130.29 -8.11 4.25 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.527 0.936 . . . . 0.0 113.527 -170.031 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -118.15 137.73 51.16 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 CA-C-N 118.757 0.708 . . . . 0.0 110.68 -174.117 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 52.4 m -126.64 145.06 50.71 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.496 1.118 . . . . 0.0 109.774 175.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.6 mm -124.61 140.23 48.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 125.453 1.501 . . . . 0.0 107.993 177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 7.2 m -132.55 129.55 39.2 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -87.54 94.56 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.381 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 174.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.9 mt -70.0 -31.75 69.58 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.343 0.657 . . . . 0.0 110.945 -170.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.83 -176.84 41.79 Favored Glycine 0 CA--C 1.524 0.625 0 CA-C-O 120.752 0.084 . . . . 0.0 112.973 174.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 13.8 m -114.81 159.19 14.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.585 0.754 . . . . 0.0 109.81 167.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 60.6 m -142.78 79.14 1.64 Allowed 'General case' 0 N--CA 1.454 -0.239 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 169.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.07 -112.97 3.56 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.159 -0.777 . . . . 0.0 111.159 -173.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.494 ' HB2' ' HE2' ' C' ' 7' ' ' LYS . 3.2 mp0 -95.18 -5.66 43.45 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.499 0.72 . . . . 0.0 110.635 174.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.41 HE22 ' H41' ' G' ' 4' ' ' ' C' . 22.9 mt-30 -75.01 152.78 38.7 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-O 121.721 0.772 . . . . 0.0 111.353 169.065 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 42.7 t -128.58 119.31 49.79 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.504 0 N-CA-C 106.481 -1.674 . . . . 0.0 106.481 168.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 13.6 ttm-85 -89.9 113.42 25.03 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 178.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -120.64 127.4 75.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 C-N-CA 123.608 0.763 . . . . 0.0 109.789 -169.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -94.1 137.92 13.78 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.613 -0.995 . . . . 0.0 110.613 171.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' C' ' 1' ' ' MET . 4.7 mp -125.18 138.67 53.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 174.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 66.0 t30 -137.71 98.72 3.74 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 -172.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.01 155.84 76.03 Favored Pre-proline 0 N--CA 1.452 -0.356 0 C-N-CA 124.533 1.133 . . . . 0.0 109.751 -174.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_endo -61.89 151.74 79.22 Favored 'Trans proline' 0 N--CA 1.452 -0.956 0 C-N-CA 122.161 1.907 . . . . 0.0 110.51 169.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.66 -0.98 2.36 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.251 0.62 . . . . 0.0 112.35 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.88 -23.76 66.72 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 124.889 1.276 . . . . 0.0 111.119 169.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.8 m -126.61 160.03 35.19 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.658 1.183 . . . . 0.0 110.772 176.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.58 156.99 16.11 Favored 'General case' 0 N--CA 1.451 -0.388 0 C-N-CA 123.438 0.695 . . . . 0.0 112.206 -178.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 1.1 p -149.89 121.91 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 C-N-CA 122.805 0.442 . . . . 0.0 109.83 167.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -149.59 166.02 30.52 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.437 0.695 . . . . 0.0 111.402 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 46.9 mtm180 -60.69 156.91 15.75 Favored 'General case' 0 N--CA 1.456 -0.172 0 N-CA-C 109.168 -0.679 . . . . 0.0 109.168 167.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.1 tm-20 -60.43 -34.48 74.03 Favored 'General case' 0 CA--C 1.528 0.127 0 CA-C-N 119.295 0.952 . . . . 0.0 110.702 173.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -53.66 -47.65 70.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.489 1.116 . . . . 0.0 112.177 169.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 20.9 mm -84.9 -28.81 6.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.334 0.654 . . . . 0.0 111.674 -173.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -52.37 -40.51 62.12 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 123.382 0.673 . . . . 0.0 110.788 172.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -66.09 -20.96 66.33 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 124.214 1.006 . . . . 0.0 113.219 175.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 8.1 mmt85 -72.37 -52.56 15.51 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 172.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.467 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.4 mp -61.21 -37.16 76.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.45 2.01 20.32 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 123.496 0.718 . . . . 0.0 112.03 -177.313 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.93 -5.51 31.4 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 123.513 0.725 . . . . 0.0 111.838 168.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 113.59 35.78 1.52 Allowed Glycine 0 C--N 1.339 0.714 0 C-N-CA 124.014 0.816 . . . . 0.0 112.98 170.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 1.2 pp -164.47 -168.73 1.59 Allowed 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.908 0.854 . . . . 0.0 112.778 -166.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . 0.465 HG22 ' H ' ' D' ' 57' ' ' ALA . 4.1 m -133.9 171.36 14.28 Favored 'General case' 0 N--CA 1.456 -0.174 0 C-N-CA 125.701 1.6 . . . . 0.0 107.843 167.642 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.465 ' H ' HG22 ' D' ' 56' ' ' THR . . . -47.66 127.25 10.73 Favored Pre-proline 0 N--CA 1.455 -0.215 0 C-N-CA 123.462 0.705 . . . . 0.0 111.927 -176.35 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -63.13 172.63 4.83 Favored 'Trans proline' 0 N--CA 1.453 -0.878 0 C-N-CA 122.836 2.358 . . . . 0.0 113.99 -178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 27.6 t0 . . . . . 0 N--CA 1.453 -0.325 0 C-N-CA 124.16 0.984 . . . . 0.0 112.052 178.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 7.2 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 111.355 0.132 . . . . 0.0 111.355 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -138.27 123.09 18.82 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.473 1.109 . . . . 0.0 108.912 174.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -112.98 139.91 35.7 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 124.041 0.936 . . . . 0.0 109.753 -175.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 49.2 mt -136.84 165.05 26.85 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 125.424 1.49 . . . . 0.0 111.109 -178.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.07 106.4 8.35 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 108.643 -0.873 . . . . 0.0 108.643 167.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -112.1 129.8 56.1 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 125.635 1.574 . . . . 0.0 110.194 -173.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 22.7 pttm -93.73 165.12 12.86 Favored 'General case' 0 C--N 1.339 0.115 0 CA-C-N 119.769 1.168 . . . . 0.0 112.713 172.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.05 139.18 19.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 115.553 -0.748 . . . . 0.0 112.427 -169.651 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.12 -3.92 86.57 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 124.002 0.811 . . . . 0.0 114.189 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 85.5 mt-10 -94.35 175.2 6.78 Favored 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 118.641 1.22 . . . . 0.0 111.188 176.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 33.9 m -135.69 155.77 49.88 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -169.292 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 96.0 mt -133.83 154.0 37.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 126.947 2.099 . . . . 0.0 108.095 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -129.03 149.37 50.88 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 121.538 -0.726 . . . . 0.0 112.149 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 56.5 mt -136.73 134.85 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.79 1.236 . . . . 0.0 109.551 178.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.62 -135.38 51.97 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 111.231 -0.748 . . . . 0.0 111.231 -176.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -129.98 10.01 5.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.65 0.78 . . . . 0.0 112.678 172.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -126.34 -11.72 6.29 Favored 'General case' 0 CA--C 1.529 0.157 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 178.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -114.97 131.32 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-N 119.242 0.928 . . . . 0.0 110.912 -170.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 25.2 m -122.61 142.53 50.54 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.239 1.016 . . . . 0.0 109.611 174.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 20.8 mm -120.93 137.24 55.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 124.675 1.19 . . . . 0.0 108.313 177.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 19.8 m -131.3 126.08 34.43 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.398 0.679 . . . . 0.0 109.726 178.161 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -81.8 101.65 6.86 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.4 mt -70.19 -30.43 67.54 Favored 'General case' 0 N--CA 1.454 -0.227 0 O-C-N 122.18 -0.325 . . . . 0.0 110.761 -176.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.12 -176.75 32.68 Favored Glycine 0 CA--C 1.525 0.67 0 C-N-CA 123.304 0.478 . . . . 0.0 113.603 169.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 7.3 m -108.65 160.71 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.102 0 C-N-CA 123.893 0.877 . . . . 0.0 111.745 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -150.01 89.89 1.64 Allowed 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 124.858 1.263 . . . . 0.0 109.11 169.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.14 -106.04 1.6 Allowed Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.806 -0.559 . . . . 0.0 111.797 -176.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -97.23 -19.65 18.44 Favored 'General case' 0 N--CA 1.456 -0.125 0 CA-C-N 117.672 0.736 . . . . 0.0 111.736 171.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 34.8 mm-40 -71.67 148.04 46.87 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.447 0.642 . . . . 0.0 110.423 178.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 44.1 t -136.7 114.37 13.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 N-CA-C 107.094 -1.447 . . . . 0.0 107.094 -177.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 29.7 ttm180 -91.1 121.16 32.66 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.142 -0.688 . . . . 0.0 109.142 -177.612 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.5 mt -129.02 128.92 67.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 123.804 0.842 . . . . 0.0 110.324 -168.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.64 133.25 11.7 Favored Glycine 0 CA--C 1.524 0.595 0 N-CA-C 110.469 -1.052 . . . . 0.0 110.469 169.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.7 mt -124.04 116.77 48.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.737 1.215 . . . . 0.0 107.925 179.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 52.8 t-20 -118.18 98.89 6.53 Favored 'General case' 0 N--CA 1.449 -0.519 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 -169.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.4 153.15 72.54 Favored Pre-proline 0 N--CA 1.449 -0.496 0 C-N-CA 124.386 1.074 . . . . 0.0 109.557 175.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -59.24 150.15 76.06 Favored 'Trans proline' 0 N--CA 1.448 -1.149 0 C-N-CA 122.012 1.808 . . . . 0.0 111.112 171.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -4.28 8.32 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 124.172 0.989 . . . . 0.0 113.277 175.597 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -64.89 -28.23 69.4 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 125.792 1.637 . . . . 0.0 111.799 171.339 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -113.68 161.48 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 124.406 1.083 . . . . 0.0 109.412 177.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.43 153.58 17.62 Favored 'General case' 0 N--CA 1.452 -0.348 0 N-CA-C 112.555 0.576 . . . . 0.0 112.555 -177.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -154.97 127.44 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.235 0.614 . . . . 0.0 110.474 168.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -151.21 165.78 32.89 Favored 'General case' 0 N--CA 1.456 -0.17 0 C-N-CA 124.282 1.033 . . . . 0.0 109.949 174.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 34.3 ptt-85 -74.82 162.6 28.51 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.828 -0.545 . . . . 0.0 109.99 169.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.6 tm-20 -62.08 -24.54 67.17 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.809 0.444 . . . . 0.0 112.164 -170.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -60.04 -50.44 73.73 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 124.224 1.01 . . . . 0.0 112.009 172.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 19.3 mm -78.27 -33.43 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.704 0.802 . . . . 0.0 110.083 -172.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 74.2 t80 -54.56 -37.06 65.02 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 124.074 0.95 . . . . 0.0 112.412 179.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -65.91 -28.47 68.96 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 123.206 0.603 . . . . 0.0 112.364 -177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -73.22 -22.96 60.33 Favored 'General case' 0 N--CA 1.457 -0.088 0 C-N-CA 123.41 0.684 . . . . 0.0 110.829 178.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 71.6 mt -95.44 -41.77 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.675 1.19 . . . . 0.0 110.037 -172.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 56.5 mm-40 -74.25 2.65 8.68 Favored 'General case' 0 N--CA 1.453 -0.279 0 C-N-CA 123.599 0.76 . . . . 0.0 112.678 174.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.6 -22.12 66.89 Favored 'General case' 0 N--CA 1.451 -0.415 0 C-N-CA 123.812 0.845 . . . . 0.0 112.427 171.164 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 149.54 32.04 0.05 OUTLIER Glycine 0 CA--C 1.526 0.72 0 CA-C-O 118.976 -0.902 . . . . 0.0 114.947 169.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 1.8 pp -155.69 41.6 0.41 Allowed 'General case' 0 N--CA 1.455 -0.18 0 CA-C-N 118.746 1.273 . . . . 0.0 113.739 -169.068 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 4.6 m -67.09 -24.15 65.92 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.156 -0.965 . . . . 0.0 112.168 -176.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -128.56 94.6 34.83 Favored Pre-proline 0 N--CA 1.451 -0.415 0 C-N-CA 124.369 1.068 . . . . 0.0 109.308 168.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -66.17 176.1 4.23 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 123.018 2.479 . . . . 0.0 113.623 -178.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 N--CA 1.454 -0.271 0 C-N-CA 124.293 1.037 . . . . 0.0 112.227 177.149 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 4.9 tpt . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.244 0.068 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.7 mt -107.22 140.95 39.28 Favored 'General case' 0 N--CA 1.451 -0.417 0 C-N-CA 122.889 0.475 . . . . 0.0 110.534 175.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -114.0 121.22 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.356 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 174.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . 0.404 HD13 ' C2 ' ' G' ' 38' ' ' ' A' . 3.5 mm? -115.8 150.75 36.44 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 125.327 1.451 . . . . 0.0 109.47 -178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.41 114.44 21.81 Favored 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 168.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -125.39 126.5 45.09 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.882 1.273 . . . . 0.0 109.991 -169.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.9 pttm -92.83 165.7 12.78 Favored 'General case' 0 CA--C 1.523 -0.095 0 CA-C-N 119.505 1.048 . . . . 0.0 112.431 175.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 7.3 m -58.98 135.03 23.87 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.204 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.623 -169.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.32 76.3 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 124.347 0.975 . . . . 0.0 114.23 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 88.0 mt-10 -96.83 172.04 8.13 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 118.726 1.263 . . . . 0.0 111.561 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 61.7 m -136.02 159.46 41.62 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 113.709 1.003 . . . . 0.0 113.709 -169.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.0 mt -137.23 157.03 34.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 126.64 1.976 . . . . 0.0 108.113 178.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -129.76 149.63 51.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.444 -0.785 . . . . 0.0 112.182 -176.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.6 mt -133.86 138.79 49.89 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.549 1.139 . . . . 0.0 108.991 176.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.26 -135.96 51.39 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.28 -0.728 . . . . 0.0 111.28 -174.208 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -126.39 10.07 7.3 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.186 0.994 . . . . 0.0 112.325 175.074 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 -131.2 -20.46 2.71 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 -177.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -101.48 137.07 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 119.134 0.879 . . . . 0.0 110.855 -171.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 26.2 m -126.82 142.87 51.43 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.418 1.087 . . . . 0.0 110.257 174.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 24.4 mm -119.7 140.49 43.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 C-N-CA 125.7 1.6 . . . . 0.0 108.157 173.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 34.1 m -135.72 128.8 31.6 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.256 0.622 . . . . 0.0 109.885 176.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.9 tp -82.28 109.13 15.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 171.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 24.9 mt -81.16 -27.89 35.27 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 123.156 0.582 . . . . 0.0 111.186 -172.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.61 -173.59 34.36 Favored Glycine 0 CA--C 1.525 0.659 0 C-N-CA 123.193 0.425 . . . . 0.0 113.47 170.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 3.9 m -125.24 158.45 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.105 0 C-N-CA 123.541 0.737 . . . . 0.0 111.96 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -150.05 91.35 1.77 Allowed 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 124.681 1.193 . . . . 0.0 109.105 169.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.96 -111.45 3.95 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.582 -0.607 . . . . 0.0 111.582 -174.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 12.8 mm100 -92.51 -21.04 20.36 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-N 117.434 0.617 . . . . 0.0 111.812 175.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 28.9 mm-40 -74.53 142.38 44.77 Favored 'General case' 0 N--CA 1.449 -0.487 0 C-N-CA 123.067 0.547 . . . . 0.0 110.175 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 44.8 t -133.92 115.35 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 -176.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 45.4 ttt180 -85.46 127.0 34.26 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 -179.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -133.69 139.3 49.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.137 0 C-N-CA 123.652 0.781 . . . . 0.0 109.966 -169.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.53 139.71 15.67 Favored Glycine 0 CA--C 1.523 0.584 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 173.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -124.64 141.07 45.97 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 124.364 1.066 . . . . 0.0 109.469 174.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -130.22 107.92 9.65 Favored 'General case' 0 N--CA 1.449 -0.484 0 C-N-CA 124.245 1.018 . . . . 0.0 109.072 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.1 158.14 74.34 Favored Pre-proline 0 N--CA 1.453 -0.278 0 C-N-CA 124.085 0.954 . . . . 0.0 111.256 -176.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -65.19 162.53 32.72 Favored 'Trans proline' 0 N--CA 1.45 -1.04 0 C-N-CA 122.966 2.444 . . . . 0.0 112.197 174.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -71.58 -5.01 30.24 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.41 0.684 . . . . 0.0 112.608 172.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -68.68 -20.16 64.42 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.636 1.175 . . . . 0.0 112.431 171.631 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -128.42 164.98 28.92 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.131 0 C-N-CA 123.93 0.892 . . . . 0.0 111.271 -176.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.05 162.35 13.01 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.873 0.869 . . . . 0.0 111.235 172.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.3 p -153.64 125.26 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 123.19 0.596 . . . . 0.0 110.541 169.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -153.03 173.19 15.75 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 124.014 0.926 . . . . 0.0 110.634 178.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.1 ptt-85 -74.36 162.31 29.0 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 168.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.31 -21.78 62.41 Favored 'General case' 0 N--CA 1.455 -0.18 0 N-CA-C 113.231 0.826 . . . . 0.0 113.231 -173.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -63.62 -44.35 94.17 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.776 0.831 . . . . 0.0 111.372 177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 mm -86.42 -29.86 6.03 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 C-N-CA 123.252 0.621 . . . . 0.0 109.669 -172.404 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . 0.489 ' HA ' HG12 ' F' ' 51' ' ' ILE . 73.9 t80 -53.61 -34.31 58.05 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.835 0.854 . . . . 0.0 112.643 175.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -67.96 -22.0 65.05 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.427 0.691 . . . . 0.0 112.361 -179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -85.11 -22.97 28.67 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.442 0.697 . . . . 0.0 111.329 174.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.489 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.4 mm -68.8 -57.68 8.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 123.73 0.812 . . . . 0.0 109.221 170.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -75.9 3.17 10.66 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 123.82 0.848 . . . . 0.0 112.535 -170.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.61 -24.71 65.72 Favored 'General case' 0 N--CA 1.451 -0.382 0 C-N-CA 124.047 0.939 . . . . 0.0 112.414 169.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.4 28.13 0.02 OUTLIER Glycine 0 CA--C 1.525 0.659 0 CA-C-O 119.328 -0.706 . . . . 0.0 114.656 169.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 pp -159.34 -177.42 6.43 Favored 'General case' 0 N--CA 1.455 -0.186 0 CA-C-N 118.368 1.084 . . . . 0.0 111.775 -169.076 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 39.4 m -139.14 142.5 38.03 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.2 1.0 . . . . 0.0 109.114 168.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . 51.85 82.95 0.23 Allowed Pre-proline 0 N--CA 1.454 -0.236 0 C-N-CA 125.328 1.451 . . . . 0.0 112.957 -179.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_exo -59.47 171.28 2.64 Favored 'Trans proline' 0 N--CA 1.453 -0.891 0 C-N-CA 123.583 2.855 . . . . 0.0 114.705 -178.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 N--CA 1.453 -0.286 0 C-N-CA 124.726 1.211 . . . . 0.0 112.074 171.415 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 112.174 3.974 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.118 0 O4'-C1'-N19 111.66 3.46 . 0.364 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.197 1 O4'-C1'-N19 112.59 4.39 . 0.675 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . 0.41 ' H41' HE22 ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.047 0 O4'-C1'-N19 111.896 3.696 . 0.258 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.583 3.383 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.09 0 C5'-C4'-O4' 114.465 3.761 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.852 3.652 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 C3'-C2'-C1' 103.755 2.506 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.448 0 O5'-C5'-C4' 113.716 2.511 . 0.0 OUTLIER '7D dist 2[' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.381 0 C3'-C2'-C1' 104.753 3.614 . 0.212 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.33 0 O4'-C1'-N19 111.332 3.132 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.018 0 C5'-C4'-C3' 112.242 -2.172 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 1 C5'-C4'-C3' 108.406 -4.729 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 0 O4'-C1'-N19 110.511 2.311 . 0.648 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 O4'-C1'-N19 111.766 3.566 . 0.827 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.28 0 O4'-C1'-N19 111.384 3.184 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.026 0 C5'-C4'-C3' 110.104 -3.598 . 0.769 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.109 1 O4'-C1'-N19 113.326 5.126 . 0.079 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 110.909 2.709 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.209 0 O4'-C1'-N19 111.915 3.715 . 0.732 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 1 O4'-C1'-N19 112.661 4.461 . 0.501 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 O4'-C1'-N19 111.279 3.079 . 0.048 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 O4'-C1'-N19 113.121 4.921 . 0.611 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.002 0 O4'-C1'-N19 111.998 3.798 . 0.627 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . 0.447 " H2'" ' C8 ' ' G' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.031 0 C5'-C4'-C3' 110.863 -3.091 . 0.853 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 O5'-C5'-C4' 113.785 2.561 . 0.45 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.471 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C4'-C3'-C2' 100.272 -2.428 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.615 " H1'" ' HE3' ' B' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.412 -3.424 0 C5'-C4'-C3' 112.759 -1.827 . 0.021 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 C5'-C4'-C3' 111.31 -2.793 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.124 1 C5'-C4'-C3' 109.238 -4.175 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 1 P-O3'-C3' 125.228 4.606 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.148 0 O4'-C1'-N19 111.093 2.893 . 0.625 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 1 O4'-C1'-N19 112.468 4.268 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 O4'-C1'-N19 111.824 3.624 . 0.445 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.019 0 C4'-C3'-C2' 99.777 -2.923 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.103 0 O4'-C1'-N19 111.282 3.082 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.279 1 O4'-C1'-N19 112.209 4.009 . 0.261 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . 0.404 ' C2 ' HD13 ' F' ' 4' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.302 0 O4'-C4'-C3' 109.089 2.564 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.429 1 C5'-C4'-C3' 109.26 -4.16 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 2 O4'-C1'-N19 114.591 6.391 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.409 0 C5'-C4'-C3' 110.151 -3.566 . 0.139 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . 0.425 HO2' ' P ' ' G' ' 43' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.283 2 C3'-C2'-C1' 106.396 5.44 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . 0.425 ' P ' HO2' ' G' ' 42' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.333 0 O4'-C1'-N19 111.87 3.67 . 0.043 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.12 1 O4'-C1'-N19 112.788 4.588 . 0.208 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.023 1 O4'-C1'-N19 112.957 4.757 . 0.271 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.168 0 O4'-C1'-N19 111.36 3.16 . 0.497 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.052 0 O4'-C1'-N19 112.199 3.999 . 0.442 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 C3'-C2'-C1' 104.672 3.525 . 0.316 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 0 C4'-C3'-C2' 99.847 -2.853 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C5'-C4'-C3' 111.214 -2.857 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . 0.402 ' C2 ' " H1'" ' G' ' 53' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.411 -3.462 0 C5'-C4'-C3' 111.224 -2.851 . 0.41 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.408 1 O5'-C5'-C4' 116.912 4.794 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . 0.402 " H1'" ' C2 ' ' G' ' 51' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -3.015 0 C5'-C4'-C3' 111.784 -2.478 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 112.018 3.818 . 0.921 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 0 C4'-C3'-C2' 100.134 -2.566 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 O4'-C1'-N19 111.465 3.265 . 0.521 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 0 C3'-C2'-C1' 104.408 3.231 . 0.219 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 O4'-C1'-N19 111.199 2.999 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 0 O4'-C1'-N19 112.169 3.969 . 0.062 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.223 0 O4'-C1'-N19 111.515 3.315 . 0.402 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.097 0 O4'-C1'-N19 111.887 3.687 . 0.539 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.068 0 O4'-C1'-N19 111.362 3.162 . 0.524 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.295 1 C3'-C2'-C1' 105.117 4.019 . 0.242 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.292 0 C4'-C3'-C2' 100.011 -2.689 . 0.032 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C5'-C4'-C3' 111.927 -2.382 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.383 0 C5'-C4'-C3' 110.312 -3.458 . 0.174 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.404 ' C6 ' ' CE ' ' D' ' 1' ' ' MET . . . . . . . . 0 O4'--C4' 1.415 -3.142 2 C5'-C4'-C3' 105.937 -6.376 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.4 " H5'" HD13 ' D' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.274 1 P-O3'-C3' 125.555 4.879 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.044 2.844 . 0.884 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 1 O4'-C1'-N19 112.723 4.523 . 0.533 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 C4'-C3'-C2' 99.942 -2.758 . 0.375 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.228 0 O4'-C1'-N19 111.204 3.004 . 0.623 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.0 ttp . . . . . 0 N--CA 1.475 0.79 0 CA-C-O 119.066 -0.492 . . . . 0.0 109.712 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.14 113.16 24.71 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 123.599 0.76 . . . . 0.0 108.997 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.6 mp -95.38 121.15 45.68 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 178.195 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 74.2 mt -115.54 158.06 23.16 Favored 'General case' 0 N--CA 1.451 -0.407 0 C-N-CA 123.932 0.893 . . . . 0.0 109.452 174.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 74.1 m -125.02 100.9 6.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -118.66 137.41 53.32 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 123.861 0.864 . . . . 0.0 110.729 -167.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 26.5 mttt -99.08 160.87 13.96 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 123.358 0.663 . . . . 0.0 110.176 -172.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.674 HG11 HG13 ' A' ' 25' ' ' VAL . 27.3 m -64.32 138.17 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 O-C-N 121.492 -0.755 . . . . 0.0 111.64 -173.01 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.21 -7.87 78.01 Favored Glycine 0 CA--C 1.529 0.911 0 C-N-CA 124.472 1.034 . . . . 0.0 114.681 -170.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -85.83 166.95 15.62 Favored 'General case' 0 N--CA 1.456 -0.128 0 CA-C-N 119.433 1.617 . . . . 0.0 112.672 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -132.91 140.09 47.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 123.924 0.89 . . . . 0.0 111.584 -177.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.435 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 23.4 mm -114.8 151.22 16.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.132 0 C-N-CA 125.367 1.467 . . . . 0.0 108.881 173.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.2 t-20 -124.55 136.58 54.09 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.932 0.893 . . . . 0.0 110.149 -178.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -130.87 130.84 64.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 C-N-CA 124.1 0.96 . . . . 0.0 109.806 -178.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.01 -127.46 27.61 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.257 -0.737 . . . . 0.0 111.257 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.4 t70 -127.29 -2.19 6.3 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 124.001 0.92 . . . . 0.0 111.941 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -144.65 -3.15 0.81 Allowed 'General case' 0 N--CA 1.454 -0.256 0 N-CA-C 114.811 1.412 . . . . 0.0 114.811 -168.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -111.05 134.01 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-N 119.484 1.038 . . . . 0.0 110.638 176.322 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.3 m -129.69 146.25 51.47 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.773 0.829 . . . . 0.0 109.635 170.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 13.0 mm -130.49 127.37 62.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.402 1.081 . . . . 0.0 108.562 -172.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 85.0 m -127.45 130.33 49.08 Favored 'General case' 0 N--CA 1.456 -0.127 0 CA-C-N 118.916 0.78 . . . . 0.0 111.004 -176.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG22 ' H ' ' A' ' 22' ' ' ILE . 3.9 tp -83.72 111.17 19.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 N-CA-C 108.893 -0.781 . . . . 0.0 108.893 173.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -76.09 -32.35 59.18 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.694 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.33 -170.93 31.6 Favored Glycine 0 C--N 1.339 0.725 0 N-CA-C 115.234 0.853 . . . . 0.0 115.234 165.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.674 HG13 HG11 ' A' ' 8' ' ' VAL . 21.7 m -88.0 157.16 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.086 0 C-N-CA 123.929 0.892 . . . . 0.0 112.333 -169.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 65.9 m -142.04 60.92 1.46 Allowed 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 125.136 1.374 . . . . 0.0 109.448 169.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 67.94 -122.52 16.52 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.385 -0.686 . . . . 0.0 111.385 -172.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -79.9 -0.86 36.7 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.164 0.586 . . . . 0.0 112.123 173.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -98.86 159.91 14.63 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 122.057 0.932 . . . . 0.0 110.906 168.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 50.5 t -140.24 125.35 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.408 0 C-N-CA 126.109 1.764 . . . . 0.0 107.757 -168.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 32.7 ttm180 -107.8 101.98 11.23 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.644 0.378 . . . . 0.0 110.424 -174.624 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 28.9 mt -114.15 137.19 48.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.13 0 C-N-CA 125.16 1.384 . . . . 0.0 110.271 -174.412 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.23 138.85 14.19 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 124.349 0.976 . . . . 0.0 111.622 169.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -105.71 134.48 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.269 1.427 . . . . 0.0 108.269 172.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -120.02 75.55 1.1 Allowed 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.704 1.202 . . . . 0.0 109.259 177.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.76 153.03 45.22 Favored Pre-proline 0 N--CA 1.454 -0.266 0 CA-C-N 114.242 -1.345 . . . . 0.0 110.474 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.35 153.92 56.03 Favored 'Trans proline' 0 N--CA 1.45 -1.067 0 C-N-CA 122.57 2.18 . . . . 0.0 110.531 176.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -68.32 -5.13 17.04 Favored 'General case' 0 N--CA 1.457 -0.115 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -68.77 -26.13 65.06 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.007 0.923 . . . . 0.0 112.198 169.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m -116.16 144.1 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 CA-C-O 122.044 0.926 . . . . 0.0 111.984 176.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -81.93 143.08 31.9 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 124.365 1.066 . . . . 0.0 111.454 -173.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.0 t -129.53 117.46 42.49 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.096 0 C-N-CA 123.814 0.845 . . . . 0.0 109.532 172.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 96.7 m-70 -151.38 156.19 40.21 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.365 0.666 . . . . 0.0 111.614 -175.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.66 160.14 31.19 Favored 'General case' 0 C--O 1.227 -0.096 0 O-C-N 121.974 -0.453 . . . . 0.0 110.347 171.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -65.92 -27.73 68.4 Favored 'General case' 0 N--CA 1.455 -0.183 0 O-C-N 121.792 -0.568 . . . . 0.0 111.991 175.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -78.38 -1.86 35.45 Favored 'General case' 0 N--CA 1.455 -0.221 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 174.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mt -121.78 -30.15 1.54 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.188 0 C-N-CA 124.214 1.005 . . . . 0.0 111.219 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -66.95 -31.6 72.29 Favored 'General case' 0 N--CA 1.451 -0.389 0 O-C-N 121.142 -0.974 . . . . 0.0 110.414 -176.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.0 mt-30 -75.44 -12.15 60.19 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 122.851 0.46 . . . . 0.0 111.833 178.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -80.99 -33.61 33.62 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 124.032 0.933 . . . . 0.0 110.69 169.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.668 HG22 HE21 ' A' ' 52' ' ' GLN . 43.0 mt -65.19 -52.44 52.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.226 0 C-N-CA 123.868 0.867 . . . . 0.0 108.925 171.682 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.668 HE21 HG22 ' A' ' 51' ' ' ILE . 66.6 mm-40 -83.95 5.09 26.83 Favored 'General case' 0 N--CA 1.453 -0.32 0 C-N-CA 123.553 0.741 . . . . 0.0 112.304 -175.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.61 -24.89 64.18 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 122.584 0.354 . . . . 0.0 110.993 168.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.19 2.53 0.06 OUTLIER Glycine 0 CA--C 1.525 0.696 0 C-N-CA 123.835 0.731 . . . . 0.0 113.201 172.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.624 ' O ' HG23 ' A' ' 56' ' ' THR . 13.5 mt -86.31 90.59 8.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 118.625 1.212 . . . . 0.0 107.754 -174.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.5 p 153.28 -22.78 0.0 OUTLIER 'General case' 0 CA--C 1.528 0.098 0 C-N-CA 127.999 2.52 . . . . 0.0 110.582 -169.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -54.81 156.76 6.24 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.749 1.22 . . . . 0.0 113.824 -168.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -50.58 -32.08 34.01 Favored 'Trans proline' 0 N--CA 1.455 -0.768 0 C-N-CA 124.246 3.297 . . . . 0.0 114.086 175.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 . . . . . 0 N--CA 1.451 -0.4 0 CA-C-O 120.976 0.417 . . . . 0.0 111.434 -179.177 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 27.7 tpp . . . . . 0 N--CA 1.474 0.772 0 CA-C-O 119.26 -0.4 . . . . 0.0 110.707 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -101.27 117.53 35.17 Favored 'General case' 0 N--CA 1.455 -0.177 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 169.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.441 HD11 " H5'" ' G' ' 52' ' ' ' A' . 59.9 mt -114.89 138.04 46.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.274 0 CA-C-O 121.106 0.479 . . . . 0.0 111.622 -167.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.9 mt -130.71 140.17 50.33 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 124.73 1.212 . . . . 0.0 110.086 178.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 27.7 m -105.78 100.98 10.52 Favored 'General case' 0 N--CA 1.453 -0.275 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 171.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -114.52 151.62 33.03 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 124.239 1.015 . . . . 0.0 111.077 -170.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 17.0 ptpt -91.0 164.29 14.02 Favored 'General case' 0 CA--C 1.522 -0.124 0 CA-C-O 120.904 0.383 . . . . 0.0 111.919 174.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 13.2 m -58.79 130.5 22.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.958 170.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.46 -3.43 57.86 Favored Glycine 0 CA--C 1.528 0.891 0 CA-C-O 118.646 -1.086 . . . . 0.0 115.53 -176.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -74.57 158.25 34.05 Favored 'General case' 0 CA--C 1.528 0.121 0 CA-C-N 119.987 1.894 . . . . 0.0 111.548 175.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -126.3 147.96 49.62 Favored 'General case' 0 N--CA 1.455 -0.206 0 C-N-CA 123.62 0.768 . . . . 0.0 111.131 173.262 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 33.9 mm -133.91 150.09 31.18 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.143 0 C-N-CA 125.986 1.714 . . . . 0.0 108.732 -175.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 24.9 m120 -124.59 138.77 54.29 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 124.601 1.161 . . . . 0.0 110.466 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 63.6 mt -129.06 130.04 68.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.774 0.829 . . . . 0.0 109.567 176.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.2 -133.49 52.36 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -174.032 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -127.59 5.01 6.16 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.748 0.819 . . . . 0.0 112.816 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -117.09 -18.2 10.11 Favored 'General case' 0 CA--C 1.528 0.109 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -116.26 136.68 52.45 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 CA-C-N 119.258 0.935 . . . . 0.0 111.569 -169.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 90.4 m -133.08 145.63 50.92 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.879 1.272 . . . . 0.0 109.962 172.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 7.6 mm -129.94 139.41 51.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 125.054 1.342 . . . . 0.0 109.162 -175.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -132.35 128.42 37.61 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 123.5 0.72 . . . . 0.0 110.586 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -85.11 106.07 14.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 172.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 18.6 mt -77.87 -32.07 51.76 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 122.199 -0.313 . . . . 0.0 110.544 -177.244 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.64 177.55 32.83 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 169.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.2 m -104.95 141.36 20.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-O 121.102 0.477 . . . . 0.0 110.328 176.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 45.2 t -114.92 72.56 0.79 Allowed 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.667 1.187 . . . . 0.0 107.915 171.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 78.29 -117.03 4.55 Favored Glycine 0 CA--C 1.525 0.703 0 CA-C-N 115.369 -0.832 . . . . 0.0 111.477 -173.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.96 8.9 42.43 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 122.174 -0.604 . . . . 0.0 111.029 174.32 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.1 mt-30 -98.96 155.44 17.41 Favored 'General case' 0 N--CA 1.447 -0.577 0 C-N-CA 124.122 0.969 . . . . 0.0 110.126 170.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 14.8 t -136.55 113.56 13.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 -170.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -86.69 117.42 25.44 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.064 1.346 . . . . 0.0 109.598 179.445 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -131.51 127.26 59.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 123.924 0.89 . . . . 0.0 110.343 -169.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.34 137.04 14.13 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 111.151 -0.779 . . . . 0.0 111.151 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 64.9 mt -125.21 128.51 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 N-CA-C 108.407 -0.96 . . . . 0.0 108.407 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.7 t-20 -129.21 84.68 2.24 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 114.97 -1.013 . . . . 0.0 109.326 -167.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.17 154.83 78.78 Favored Pre-proline 0 N--CA 1.449 -0.511 0 CA-C-N 114.019 -1.446 . . . . 0.0 109.524 176.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_endo -58.79 151.86 61.22 Favored 'Trans proline' 0 N--CA 1.447 -1.235 0 C-N-CA 121.516 1.477 . . . . 0.0 109.264 168.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 1.6 mppt? -70.47 -0.87 9.23 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-O 122.089 0.947 . . . . 0.0 111.79 173.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.79 -21.74 66.52 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 125.962 1.705 . . . . 0.0 110.984 169.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 2.9 m -124.92 144.08 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 125.128 1.371 . . . . 0.0 109.513 175.254 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.6 143.04 27.2 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -130.99 116.88 35.47 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 C-N-CA 124.269 1.028 . . . . 0.0 109.712 169.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.464 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -147.26 164.8 32.05 Favored 'General case' 0 C--N 1.338 0.07 0 C-N-CA 124.854 1.262 . . . . 0.0 110.395 169.502 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -67.85 156.11 37.86 Favored 'General case' 0 N--CA 1.456 -0.152 0 O-C-N 122.281 -0.262 . . . . 0.0 110.803 169.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -54.31 -39.1 66.68 Favored 'General case' 0 N--CA 1.457 -0.092 0 C-N-CA 123.396 0.678 . . . . 0.0 111.956 -175.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -50.09 -45.63 52.81 Favored 'General case' 0 N--CA 1.457 -0.103 0 C-N-CA 122.771 0.428 . . . . 0.0 110.959 177.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 mm -77.22 -48.67 24.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.398 0 C-N-CA 125.527 1.531 . . . . 0.0 110.2 -175.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 88.0 t80 -51.43 -35.55 39.84 Favored 'General case' 0 N--CA 1.448 -0.532 0 C-N-CA 124.301 1.041 . . . . 0.0 111.629 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 69.6 mt-30 -70.33 -22.59 62.79 Favored 'General case' 0 N--CA 1.452 -0.33 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -176.271 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.469 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.7 mpt_? -81.9 -38.81 24.75 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-N 119.283 0.947 . . . . 0.0 110.451 169.552 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.527 HG22 ' NE2' ' B' ' 52' ' ' GLN . 97.4 mt -63.78 -40.92 90.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 -176.344 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.527 ' NE2' HG22 ' B' ' 51' ' ' ILE . 31.9 mm-40 -80.26 5.02 15.83 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 173.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.53 -19.76 45.04 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.087 0.555 . . . . 0.0 111.385 168.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 136.67 47.04 0.08 OUTLIER Glycine 0 C--N 1.338 0.69 0 CA-C-O 119.418 -0.657 . . . . 0.0 114.447 168.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.06 -176.53 2.64 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-N 117.998 0.899 . . . . 0.0 112.865 -168.341 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 39.0 p -126.42 -177.6 4.04 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 125.536 1.535 . . . . 0.0 109.387 168.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.406 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -42.78 121.46 2.83 Favored Pre-proline 0 CA--C 1.531 0.225 0 C-N-CA 124.13 0.972 . . . . 0.0 111.503 179.502 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 51.0 Cg_exo -66.5 173.59 7.51 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 121.916 1.744 . . . . 0.0 114.899 -169.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 N--CA 1.453 -0.311 0 C-N-CA 125.481 1.513 . . . . 0.0 112.984 -178.116 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.1 tpp . . . . . 0 N--CA 1.475 0.791 0 CA-C-O 119.495 -0.288 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.77 105.63 14.55 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 107.678 -1.23 . . . . 0.0 107.678 167.289 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -82.32 134.93 25.93 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 124.093 0.957 . . . . 0.0 109.536 177.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 95.3 mt -126.66 134.9 50.62 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 123.566 0.746 . . . . 0.0 109.225 168.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 19.1 p -93.74 143.35 26.4 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.712 -0.477 . . . . 0.0 109.712 169.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.446 ' NH1' HD12 ' C' ' 12' ' ' ILE . 1.4 mtp-105 -146.09 163.97 33.62 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 112.211 0.449 . . . . 0.0 112.211 173.053 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.429 ' HE2' ' HB3' ' D' ' 28' ' ' GLN . 13.0 mmmm -98.58 161.22 13.78 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.141 0.577 . . . . 0.0 109.701 172.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -57.72 134.27 22.33 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.11 0 CA-C-O 120.901 0.381 . . . . 0.0 111.362 177.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.21 -6.8 72.34 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.81 1.195 . . . . 0.0 114.388 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.437 ' C ' ' HE ' ' C' ' 6' ' ' ARG . 47.3 mm-40 -90.38 174.06 7.77 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 119.077 1.439 . . . . 0.0 112.34 -174.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -132.83 154.21 50.53 Favored 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 114.489 1.292 . . . . 0.0 114.489 -170.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.446 HD12 ' NH1' ' C' ' 6' ' ' ARG . 29.9 mt -135.42 160.19 40.21 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.166 0 C-N-CA 127.461 2.304 . . . . 0.0 108.702 177.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -128.29 147.1 50.59 Favored 'General case' 0 N--CA 1.455 -0.199 0 C-N-CA 124.254 1.021 . . . . 0.0 111.97 176.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 69.3 mt -134.32 142.67 40.22 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 C-N-CA 124.84 1.256 . . . . 0.0 109.131 177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 54.01 -137.52 40.36 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.72 -0.952 . . . . 0.0 110.72 -169.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 34.4 m-20 -123.63 10.08 9.03 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.768 0.827 . . . . 0.0 110.939 169.1 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -129.51 -8.35 4.64 Favored 'General case' 0 N--CA 1.455 -0.189 0 C-N-CA 124.676 1.19 . . . . 0.0 112.968 -169.659 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -120.62 136.85 56.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 123.568 0.747 . . . . 0.0 110.624 -174.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 35.4 m -122.3 143.51 49.57 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.686 1.195 . . . . 0.0 109.321 171.039 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 33.0 mm -121.83 136.92 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.999 1.32 . . . . 0.0 108.311 -179.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -128.52 134.25 48.63 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 123.013 0.525 . . . . 0.0 109.594 177.041 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.473 ' HA ' HD12 ' C' ' 22' ' ' ILE . 9.1 tp -99.21 113.18 33.4 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.395 0 N-CA-C 107.0 -1.481 . . . . 0.0 107.0 174.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.1 mt -87.52 -42.85 12.46 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 116.557 -0.292 . . . . 0.0 111.14 -166.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.47 174.09 40.22 Favored Glycine 0 C--N 1.336 0.568 0 C-N-CA 120.278 -0.963 . . . . 0.0 114.341 168.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 1.9 m -107.96 144.24 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.39 0.676 . . . . 0.0 110.35 174.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -140.94 100.21 3.77 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 170.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.89 -140.03 25.24 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.397 -169.182 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.59 1.76 44.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.124 0.97 . . . . 0.0 110.933 168.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -87.89 145.4 26.07 Favored 'General case' 0 N--CA 1.45 -0.456 0 C-N-CA 124.703 1.201 . . . . 0.0 110.169 178.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 45.1 t -134.97 120.01 29.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.336 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 -178.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -80.29 115.43 19.83 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 171.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.1 mt -112.78 139.41 37.95 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.267 0 C-N-CA 126.011 1.724 . . . . 0.0 109.267 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.91 139.13 15.12 Favored Glycine 0 CA--C 1.524 0.6 0 C-N-CA 124.178 0.894 . . . . 0.0 111.765 172.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 63.6 mt -125.29 123.79 65.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 124.207 1.003 . . . . 0.0 108.91 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -117.26 100.85 7.97 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.165 0.586 . . . . 0.0 110.051 -177.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.63 154.23 62.72 Favored Pre-proline 0 N--CA 1.452 -0.345 0 C-N-CA 124.243 1.017 . . . . 0.0 110.027 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -62.09 152.05 78.01 Favored 'Trans proline' 0 N--CA 1.452 -0.949 0 C-N-CA 122.781 2.321 . . . . 0.0 111.121 172.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp -65.15 -0.87 1.86 Allowed 'General case' 0 CA--C 1.528 0.118 0 C-N-CA 123.374 0.67 . . . . 0.0 112.663 172.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -65.97 -23.49 66.6 Favored 'General case' 0 N--CA 1.453 -0.299 0 C-N-CA 124.464 1.106 . . . . 0.0 111.443 169.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.6 m -121.55 147.07 25.71 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.107 0.963 . . . . 0.0 110.366 174.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.43 154.78 21.6 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 122.774 0.429 . . . . 0.0 111.265 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.3 m -138.97 130.13 34.66 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.123 0 C-N-CA 122.956 0.502 . . . . 0.0 109.741 169.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -156.7 158.15 36.43 Favored 'General case' 0 N--CA 1.457 -0.107 0 CA-C-N 118.246 0.475 . . . . 0.0 112.155 -178.651 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 35.4 ptt-85 -74.44 158.03 34.57 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 165.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.5 tm-20 -63.85 -32.28 73.74 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.228 0.825 . . . . 0.0 113.228 -167.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -69.37 -20.57 63.83 Favored 'General case' 0 N--CA 1.455 -0.191 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 178.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.5 mm -95.74 -34.57 5.31 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 123.507 0.723 . . . . 0.0 110.753 173.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -51.73 -36.46 47.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.79 0.836 . . . . 0.0 112.52 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -59.46 -28.9 67.4 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 123.701 0.8 . . . . 0.0 112.471 -179.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -70.52 -37.35 74.11 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.348 0.659 . . . . 0.0 111.787 175.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.9 mp -67.35 -19.87 25.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 177.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 80.2 mm-40 -94.38 -9.81 34.58 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 123.847 0.859 . . . . 0.0 112.695 173.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.74 -27.1 31.32 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.027 0.931 . . . . 0.0 111.927 174.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 101.33 140.17 11.09 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 124.073 0.844 . . . . 0.0 111.619 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -149.26 13.5 0.86 Allowed 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 123.907 0.883 . . . . 0.0 112.743 -169.652 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 19.0 m -61.66 139.51 58.28 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.459 0.704 . . . . 0.0 110.792 -174.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 51.28 75.14 0.69 Allowed Pre-proline 0 N--CA 1.454 -0.245 0 C-N-CA 124.776 1.231 . . . . 0.0 111.613 -169.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_exo -53.76 132.56 50.0 Favored 'Trans proline' 0 N--CA 1.453 -0.875 0 C-N-CA 123.764 2.976 . . . . 0.0 112.82 -177.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 C-N-CA 126.378 1.871 . . . . 0.0 114.942 173.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.507 ' HG2' HD11 ' D' ' 3' ' ' ILE . 5.0 tpp . . . . . 0 N--CA 1.475 0.779 0 N-CA-C 111.431 0.16 . . . . 0.0 111.431 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -115.06 111.95 21.87 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 125.545 1.538 . . . . 0.0 107.845 168.452 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.507 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.9 mp -101.79 140.05 21.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 C-N-CA 124.982 1.313 . . . . 0.0 109.573 -178.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 1.6 pp -155.17 158.54 39.1 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.919 0.888 . . . . 0.0 110.406 169.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 66.6 p -90.46 148.0 23.05 Favored 'General case' 0 N--CA 1.454 -0.258 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.106 169.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.403 ' HG3' HD11 ' D' ' 12' ' ' ILE . 4.4 mmp_? -139.04 145.34 39.47 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 123.648 0.779 . . . . 0.0 109.016 166.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.8 mmtp -80.08 158.89 26.31 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 121.042 0.449 . . . . 0.0 110.163 171.58 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.1 m -56.42 138.32 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.263 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.457 171.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.37 -3.42 83.89 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.168 0.89 . . . . 0.0 113.956 -177.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -88.98 169.2 11.73 Favored 'General case' 0 N--CA 1.456 -0.155 0 CA-C-N 118.708 1.254 . . . . 0.0 112.03 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 66.3 m -130.24 156.79 44.04 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.949 0.9 . . . . 0.0 112.151 -172.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.403 HD11 ' HG3' ' D' ' 6' ' ' ARG . 56.7 mt -146.62 160.57 9.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 126.657 1.983 . . . . 0.0 108.687 -170.455 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -134.11 150.61 51.16 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.298 1.039 . . . . 0.0 112.255 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 60.7 mt -135.14 135.27 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.192 0 C-N-CA 125.115 1.366 . . . . 0.0 109.267 173.167 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 61.39 -133.61 48.09 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.181 -0.768 . . . . 0.0 111.181 -175.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -130.03 9.97 5.37 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 123.895 0.878 . . . . 0.0 112.325 171.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 27.6 m-20 -127.85 -17.02 4.55 Favored 'General case' 0 N--CA 1.455 -0.185 0 N-CA-C 113.581 0.956 . . . . 0.0 113.581 -178.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -110.39 130.96 62.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.993 0.815 . . . . 0.0 110.489 -171.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -115.43 145.41 42.59 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.797 0.839 . . . . 0.0 109.876 174.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -129.2 140.44 49.18 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.955 1.302 . . . . 0.0 108.268 -179.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.9 m -137.37 130.88 31.29 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 -176.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp -86.61 103.91 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 N-CA-C 108.566 -0.902 . . . . 0.0 108.566 171.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 40.3 mt -78.16 -30.46 49.16 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.315 0.646 . . . . 0.0 110.584 -172.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.64 -173.62 40.58 Favored Glycine 0 C--N 1.337 0.629 0 CA-C-O 120.805 0.114 . . . . 0.0 112.966 170.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 16.1 m -116.98 159.42 17.01 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 123.921 0.888 . . . . 0.0 110.398 168.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -141.76 77.08 1.57 Allowed 'General case' 0 N--CA 1.454 -0.24 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 169.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.97 -114.48 3.84 Favored Glycine 0 CA--C 1.523 0.558 0 N-CA-C 111.676 -0.57 . . . . 0.0 111.676 -175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.429 ' HB3' ' HE2' ' C' ' 7' ' ' LYS . 3.1 mp0 -88.43 -6.89 57.38 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.512 0.725 . . . . 0.0 110.005 172.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -74.72 149.28 39.9 Favored 'General case' 0 N--CA 1.449 -0.52 0 CA-C-O 121.136 0.493 . . . . 0.0 112.167 173.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 31.2 t -129.21 119.12 48.08 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.516 0 N-CA-C 106.991 -1.485 . . . . 0.0 106.991 167.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ttm-85 -94.89 112.04 23.78 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.652 1.181 . . . . 0.0 108.386 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -120.41 128.2 75.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 123.379 0.672 . . . . 0.0 110.202 -168.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.37 135.55 12.77 Favored Glycine 0 CA--C 1.523 0.555 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 171.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.81 140.54 43.5 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 C-N-CA 123.985 0.914 . . . . 0.0 108.811 171.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.8 t30 -137.97 90.01 2.45 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.339 0.656 . . . . 0.0 109.509 -177.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.4 155.34 54.06 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 124.393 1.077 . . . . 0.0 110.02 178.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -62.89 150.84 87.18 Favored 'Trans proline' 0 N--CA 1.451 -0.996 0 C-N-CA 122.185 1.923 . . . . 0.0 110.466 169.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 mmmm -68.86 -1.42 7.19 Favored 'General case' 0 CA--C 1.526 0.025 0 N-CA-C 112.622 0.601 . . . . 0.0 112.622 175.647 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.55 -20.94 66.14 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.581 1.152 . . . . 0.0 111.587 168.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -128.12 160.01 38.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.261 1.024 . . . . 0.0 110.863 177.059 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.13 157.04 16.13 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.547 0.739 . . . . 0.0 112.675 -176.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -149.23 124.67 1.96 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.128 0 O-C-N 121.869 -0.52 . . . . 0.0 109.613 168.095 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -149.0 160.63 43.13 Favored 'General case' 0 N--CA 1.456 -0.169 0 C-N-CA 123.117 0.567 . . . . 0.0 111.87 175.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 61.7 ttp85 -65.66 154.15 39.66 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 168.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -58.35 -35.22 71.61 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-N 118.417 0.553 . . . . 0.0 112.292 -171.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -57.46 -55.95 28.22 Favored 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 123.255 0.622 . . . . 0.0 110.94 170.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 15.3 mm -64.15 -42.71 96.39 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 124.02 0.928 . . . . 0.0 109.993 -173.225 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -49.4 -42.72 43.25 Favored 'General case' 0 N--CA 1.45 -0.47 0 C-N-CA 125.52 1.528 . . . . 0.0 112.241 -178.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -61.19 -20.93 63.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -177.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -76.9 -50.93 12.18 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 118.98 0.809 . . . . 0.0 109.572 174.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.628 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.8 mp -62.11 -18.78 20.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 125.137 1.375 . . . . 0.0 111.965 178.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 69.4 mm-40 -95.44 -32.5 12.87 Favored 'General case' 0 N--CA 1.454 -0.229 0 N-CA-C 114.997 1.48 . . . . 0.0 114.997 171.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -112.03 -16.29 13.1 Favored 'General case' 0 CA--C 1.53 0.21 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -169.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -148.3 -8.2 0.21 Allowed Glycine 0 CA--C 1.526 0.764 0 C-N-CA 124.132 0.872 . . . . 0.0 113.51 -172.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 55.14 57.11 5.81 Favored 'General case' 0 N--CA 1.452 -0.336 0 C-N-CA 127.519 2.327 . . . . 0.0 112.05 169.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 50.3 p -73.97 -37.49 64.47 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.387 -179.296 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -127.38 79.06 73.85 Favored Pre-proline 0 N--CA 1.451 -0.378 0 C-N-CA 125.207 1.403 . . . . 0.0 108.341 169.242 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -53.75 -44.31 50.25 Favored 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 123.924 3.083 . . . . 0.0 112.746 -169.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 30.9 t70 . . . . . 0 N--CA 1.454 -0.253 0 C-N-CA 124.608 1.163 . . . . 0.0 110.497 -170.232 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 21.7 ttt . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.1 tt -124.37 119.85 30.44 Favored 'General case' 0 N--CA 1.455 -0.225 0 C-N-CA 123.984 0.913 . . . . 0.0 109.634 -173.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.92 136.22 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 C-N-CA 124.001 0.92 . . . . 0.0 109.737 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 80.6 mt -132.46 163.41 28.84 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.765 1.626 . . . . 0.0 110.485 179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 3.4 m -133.65 98.63 4.25 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 167.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.447 ' HG3' HD11 ' E' ' 12' ' ' ILE . 6.1 mmp_? -104.94 154.81 19.59 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.684 1.193 . . . . 0.0 109.673 179.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.8 pttp -110.2 171.59 7.36 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-N 119.05 0.841 . . . . 0.0 113.166 173.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 16.9 m -55.09 128.31 15.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.942 -169.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.56 -2.94 67.98 Favored Glycine 0 CA--C 1.526 0.73 0 C-N-CA 124.245 0.926 . . . . 0.0 113.86 176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -91.55 168.76 11.28 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 118.443 1.121 . . . . 0.0 111.077 178.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.9 m -132.13 159.51 38.72 Favored 'General case' 0 N--CA 1.456 -0.159 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -168.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . 0.447 HD11 ' HG3' ' E' ' 6' ' ' ARG . 24.0 mt -143.85 156.86 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.129 0 C-N-CA 126.739 2.016 . . . . 0.0 107.682 -175.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -137.95 149.33 46.07 Favored 'General case' 0 N--CA 1.455 -0.196 0 O-C-N 121.564 -0.71 . . . . 0.0 112.831 -174.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 48.1 mt -136.62 138.65 46.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.261 0 C-N-CA 124.905 1.282 . . . . 0.0 109.027 -178.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.6 -134.91 49.75 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 -177.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -126.98 10.03 6.93 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.264 1.026 . . . . 0.0 111.675 173.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -139.1 -7.72 1.36 Allowed 'General case' 0 N--CA 1.455 -0.207 0 N-CA-C 113.357 0.873 . . . . 0.0 113.357 -169.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -116.56 134.19 60.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 118.79 0.723 . . . . 0.0 110.492 -174.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 29.9 m -126.88 143.77 51.18 Favored 'General case' 0 N--CA 1.454 -0.251 0 C-N-CA 124.47 1.108 . . . . 0.0 110.03 176.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 22.2 mm -120.87 138.6 50.78 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.3 0 C-N-CA 125.057 1.343 . . . . 0.0 108.083 173.665 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 60.5 m -132.03 126.39 33.79 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 123.38 0.672 . . . . 0.0 109.204 171.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -83.8 108.34 16.13 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 107.546 -1.279 . . . . 0.0 107.546 179.026 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 38.4 mt -72.77 -41.73 64.74 Favored 'General case' 0 N--CA 1.456 -0.154 0 O-C-N 121.301 -0.874 . . . . 0.0 110.895 -169.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 162.82 178.78 36.93 Favored Glycine 0 CA--C 1.525 0.719 0 C-N-CA 123.413 0.53 . . . . 0.0 113.076 169.152 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -106.77 158.89 6.68 Favored 'Isoleucine or valine' 0 C--O 1.23 0.045 0 C-N-CA 123.364 0.666 . . . . 0.0 112.267 -174.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 22.9 t -149.12 90.88 1.79 Allowed 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 124.854 1.262 . . . . 0.0 109.361 169.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 68.07 -113.46 5.41 Favored Glycine 0 CA--C 1.526 0.773 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -171.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -93.94 -20.37 20.06 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-N 117.252 0.526 . . . . 0.0 111.749 174.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 31.1 mm-40 -71.28 139.0 49.83 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 121.238 0.542 . . . . 0.0 109.677 179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 21.5 t -126.95 114.72 38.63 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.407 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 38.2 ttt180 -83.43 125.79 32.08 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 176.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.6 130.95 53.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.418 0.687 . . . . 0.0 109.399 -169.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.9 139.74 14.66 Favored Glycine 0 CA--C 1.524 0.652 0 C-N-CA 124.061 0.838 . . . . 0.0 111.334 172.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 3.7 mp -130.39 133.41 63.89 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 124.929 1.291 . . . . 0.0 109.08 178.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 38.2 t-20 -134.29 99.0 4.26 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.954 -0.567 . . . . 0.0 109.612 -171.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.09 155.58 78.93 Favored Pre-proline 0 N--CA 1.452 -0.328 0 C-N-CA 124.657 1.183 . . . . 0.0 110.533 177.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 26.3 Cg_endo -61.12 158.24 35.64 Favored 'Trans proline' 0 N--CA 1.451 -0.994 0 C-N-CA 122.669 2.246 . . . . 0.0 111.811 171.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 17.4 mmmt -68.31 -0.87 5.27 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.557 0.743 . . . . 0.0 112.637 169.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -65.03 -25.03 67.67 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.109 1.364 . . . . 0.0 111.944 169.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 5.0 m -120.61 157.6 23.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 C-N-CA 124.1 0.96 . . . . 0.0 111.026 -179.06 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.07 154.42 20.49 Favored 'General case' 0 N--CA 1.452 -0.373 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.714 172.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.06 124.91 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.873 0.469 . . . . 0.0 110.261 168.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -149.7 166.18 30.14 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.271 1.028 . . . . 0.0 110.206 179.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.9 ptt85 -78.74 161.61 26.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.685 -0.635 . . . . 0.0 109.95 169.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -59.09 -22.81 61.41 Favored 'General case' 0 CA--C 1.528 0.119 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -169.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -65.28 -49.54 69.14 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.143 0.977 . . . . 0.0 111.654 174.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.98 -33.17 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.591 0.756 . . . . 0.0 109.929 -175.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 71.3 t80 -55.21 -35.84 65.31 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 123.406 0.683 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 83.4 mt-30 -69.17 -26.53 64.89 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.219 0.608 . . . . 0.0 112.571 -177.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.6 mpt_? -71.36 -23.03 61.83 Favored 'General case' 0 N--CA 1.456 -0.134 0 C-N-CA 123.364 0.666 . . . . 0.0 110.716 176.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 95.1 mt -96.31 -46.99 12.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.416 0 C-N-CA 124.153 0.981 . . . . 0.0 109.635 -171.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 64.8 mm-40 -71.28 3.04 3.97 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 113.08 0.77 . . . . 0.0 113.08 176.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.47 -24.46 65.27 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.853 0.861 . . . . 0.0 112.389 169.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 151.73 32.53 0.04 OUTLIER Glycine 0 CA--C 1.525 0.701 0 CA-C-O 119.521 -0.6 . . . . 0.0 113.747 169.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 3.4 pp -158.05 -179.2 7.9 Favored 'General case' 0 N--CA 1.454 -0.25 0 CA-C-N 118.012 0.906 . . . . 0.0 111.497 -169.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 5.6 m -134.46 -37.68 0.85 Allowed 'General case' 0 N--CA 1.457 -0.123 0 C-N-CA 123.166 0.586 . . . . 0.0 111.665 171.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . 0.712 ' H ' ' CD ' ' E' ' 58' ' ' PRO . . . -142.54 -25.48 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.309 0 C-N-CA 125.292 1.437 . . . . 0.0 114.133 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . 0.712 ' CD ' ' H ' ' E' ' 57' ' ' ALA . 37.2 Cg_exo -72.39 -177.53 2.78 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 121.565 1.51 . . . . 0.0 114.009 -178.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 31.0 t0 . . . . . 0 N--CA 1.452 -0.374 0 C-N-CA 124.662 1.185 . . . . 0.0 112.494 -178.083 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 5.8 tpt . . . . . 0 N--CA 1.475 0.784 0 N-CA-C 110.755 -0.091 . . . . 0.0 110.755 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 6.5 mt -99.17 148.81 23.71 Favored 'General case' 0 N--CA 1.452 -0.36 0 C-N-CA 123.025 0.53 . . . . 0.0 111.153 172.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 5.0 mp -128.2 127.05 67.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 109.187 -0.671 . . . . 0.0 109.187 171.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.86 155.87 28.29 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 125.594 1.558 . . . . 0.0 109.305 -178.457 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -124.13 103.39 8.24 Favored 'General case' 0 N--CA 1.456 -0.157 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 168.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.3 tpm_? -116.49 126.24 53.09 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.814 1.246 . . . . 0.0 109.538 -170.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 46.1 pttt -88.73 165.86 14.44 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 119.117 0.871 . . . . 0.0 112.787 173.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 10.4 m -58.06 135.7 22.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.287 -171.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.97 -9.31 72.99 Favored Glycine 0 CA--C 1.526 0.767 0 C-N-CA 124.348 0.975 . . . . 0.0 113.873 178.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 70.6 mm-40 -96.44 172.32 8.01 Favored 'General case' 0 N--CA 1.455 -0.207 0 CA-C-N 118.804 1.302 . . . . 0.0 112.27 -178.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 64.4 m -131.24 160.43 34.89 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 113.853 1.057 . . . . 0.0 113.853 -169.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 63.5 mt -138.65 156.26 28.9 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.172 0 C-N-CA 127.154 2.182 . . . . 0.0 107.852 177.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -131.74 149.36 52.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 O-C-N 121.382 -0.824 . . . . 0.0 112.431 -175.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.2 mt -135.63 141.47 42.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 124.599 1.16 . . . . 0.0 108.992 179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.12 -139.14 47.94 Favored Glycine 0 CA--C 1.526 0.726 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 -174.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -122.24 10.03 9.9 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.087 0.955 . . . . 0.0 112.452 174.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -134.61 -20.71 1.78 Allowed 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -96.97 136.81 26.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.161 0 CA-C-N 119.267 0.939 . . . . 0.0 110.755 -170.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m -125.35 142.05 51.72 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.009 0.924 . . . . 0.0 110.392 173.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 27.4 mm -120.81 140.25 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.737 1.615 . . . . 0.0 108.169 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 25.4 m -136.26 128.1 29.25 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 123.054 0.542 . . . . 0.0 109.839 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -81.34 111.34 17.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 169.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 27.7 mt -85.0 -28.08 26.0 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.416 0.686 . . . . 0.0 111.217 -171.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.15 -172.35 35.84 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 123.076 0.369 . . . . 0.0 113.485 171.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -128.71 159.56 40.31 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.281 0.632 . . . . 0.0 112.334 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.1 t -149.16 91.19 1.81 Allowed 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.927 1.291 . . . . 0.0 109.229 169.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.49 -103.01 1.45 Allowed Glycine 0 CA--C 1.527 0.79 0 N-CA-C 111.862 -0.495 . . . . 0.0 111.862 -177.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -101.94 -16.74 16.42 Favored 'General case' 0 CA--C 1.522 -0.119 0 CA-C-N 117.417 0.609 . . . . 0.0 111.992 170.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -72.54 145.8 47.2 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.647 0.737 . . . . 0.0 109.485 177.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 95.1 t -140.57 106.88 2.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.422 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 -170.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 29.3 ttm180 -84.63 127.47 34.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.632 0.773 . . . . 0.0 109.013 -176.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -133.43 140.58 46.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 123.964 0.906 . . . . 0.0 110.352 -168.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -115.04 138.63 14.93 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.096 0.855 . . . . 0.0 111.014 173.287 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -124.29 138.83 52.52 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 124.178 0.991 . . . . 0.0 109.79 175.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -132.2 106.44 7.96 Favored 'General case' 0 N--CA 1.451 -0.392 0 C-N-CA 124.136 0.974 . . . . 0.0 109.346 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -131.35 157.97 76.61 Favored Pre-proline 0 N--CA 1.454 -0.26 0 C-N-CA 124.023 0.929 . . . . 0.0 111.324 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -65.61 162.71 33.05 Favored 'Trans proline' 0 N--CA 1.45 -1.047 0 C-N-CA 123.051 2.501 . . . . 0.0 112.135 174.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -70.28 -7.73 44.72 Favored 'General case' 0 N--CA 1.457 -0.116 0 C-N-CA 123.467 0.707 . . . . 0.0 112.611 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -67.7 -18.13 64.81 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 124.853 1.261 . . . . 0.0 112.395 173.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.6 m -130.01 162.85 36.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 C-N-CA 123.954 0.901 . . . . 0.0 111.148 -177.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -99.55 164.28 12.14 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.546 0.739 . . . . 0.0 111.34 171.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -154.35 129.25 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 C-N-CA 123.522 0.729 . . . . 0.0 110.111 170.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 -151.41 174.13 13.72 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.271 1.029 . . . . 0.0 110.217 175.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 11.9 ptp180 -74.33 159.57 32.22 Favored 'General case' 0 N--CA 1.454 -0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 168.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 7.2 tm-20 -62.43 -21.96 65.82 Favored 'General case' 0 N--CA 1.456 -0.136 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 -171.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -60.33 -50.74 72.42 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.776 0.83 . . . . 0.0 111.304 172.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 19.6 mm -79.68 -31.82 14.09 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.346 0 C-N-CA 123.091 0.556 . . . . 0.0 109.586 -171.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . 0.451 ' HA ' HG12 ' F' ' 51' ' ' ILE . 70.3 t80 -53.2 -35.22 59.64 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 123.991 0.916 . . . . 0.0 112.896 177.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.5 mt-30 -66.59 -22.04 66.14 Favored 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 123.101 0.56 . . . . 0.0 112.351 -178.009 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 10.9 mpt_? -82.46 -34.6 28.06 Favored 'General case' 0 N--CA 1.455 -0.203 0 C-N-CA 123.183 0.593 . . . . 0.0 110.706 174.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.451 HG12 ' HA ' ' F' ' 48' ' ' TYR . 3.2 mm -58.35 -49.14 83.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 C-N-CA 124.02 0.928 . . . . 0.0 110.118 172.185 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -85.04 3.07 40.4 Favored 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 124.479 1.112 . . . . 0.0 112.886 -171.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.52 -13.82 61.46 Favored 'General case' 0 N--CA 1.453 -0.295 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 174.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 128.86 50.81 0.13 Allowed Glycine 0 C--N 1.338 0.665 0 CA-C-O 119.631 -0.539 . . . . 0.0 112.913 170.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.473 HD12 ' N ' ' F' ' 56' ' ' THR . 0.9 OUTLIER -154.04 -51.92 0.1 Allowed 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 114.188 1.181 . . . . 0.0 114.188 -169.716 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . 0.473 ' N ' HD12 ' F' ' 55' ' ' LEU . 1.3 m 50.26 22.9 1.06 Allowed 'General case' 0 CA--C 1.529 0.146 0 C-N-CA 125.184 1.394 . . . . 0.0 113.564 -168.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -159.69 124.89 2.23 Favored Pre-proline 0 N--CA 1.452 -0.342 0 C-N-CA 124.032 0.933 . . . . 0.0 109.841 175.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -51.41 134.3 44.97 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.963 2.442 . . . . 0.0 112.367 172.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 CA--C 1.53 0.185 0 C-N-CA 124.523 1.129 . . . . 0.0 113.808 172.436 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 1 O4'-C1'-N19 112.241 4.041 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.572 3.372 . 0.352 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.054 1 O4'-C1'-N19 112.865 4.665 . 0.455 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.967 3.767 . 0.267 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.057 0 O4'-C1'-N19 111.329 3.129 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C5'-C4'-O4' 114.57 3.836 . 0.03 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 2 C5'-C4'-C3' 106.967 -5.689 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 O4'-C1'-N19 111.661 3.461 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 O5'-C5'-C4' 113.92 2.657 . 0.028 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C3'-C2'-C1' 104.783 3.648 . 0.256 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.377 0 O4'-C1'-N19 111.509 3.309 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 C5'-C4'-C3' 111.279 -2.814 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 C5'-C4'-C3' 108.797 -4.469 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 100.18 -2.52 . 0.628 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.894 3.694 . 0.795 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 0 O4'-C1'-N19 111.639 3.439 . 0.38 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 0 O4'-C1'-N19 111.526 3.326 . 0.807 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 112.314 4.114 . 0.741 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 0 O4'-C1'-N19 110.804 2.604 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 O4'-C1'-N19 111.696 3.496 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 1 O4'-C1'-N19 112.542 4.342 . 0.507 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 O4'-C1'-N19 110.789 2.589 . 0.206 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.106 1 O4'-C1'-N19 112.903 4.703 . 0.636 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 O4'-C1'-N19 112.095 3.895 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.009 0 N19-C1'-C2' 108.364 -3.148 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.962 0 O4'-C1'-N19 110.963 2.763 . 0.428 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.464 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.414 -3.211 0 C5'-C4'-C3' 111.539 -2.641 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.343 0 C5'-C4'-C3' 112.014 -2.324 . 0.037 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 111.293 -2.805 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 O4'-C1'-N19 111.53 3.33 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 0 C4'-C3'-C2' 99.995 -2.705 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-N19 111.187 2.987 . 0.535 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 1 O4'-C1'-N19 112.444 4.244 . 0.83 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 C4'-C3'-C2' 98.965 -3.735 . 0.605 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.138 0 C4'-C3'-C2' 99.596 -3.104 . 0.188 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 111.648 3.448 . 0.681 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 1 O4'-C1'-N19 112.588 4.388 . 0.161 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.195 0 C5'-C4'-C3' 110.628 -3.248 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C3'-C2'-C1' 103.771 2.523 . 0.325 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 1 O4'-C1'-N19 113.055 4.855 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 C5'-C4'-C3' 109.589 -3.94 . 0.043 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 2 C3'-C2'-C1' 106.167 5.186 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.308 1 O4'-C1'-N19 113.793 5.593 . 0.061 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 O4'-C1'-N19 112.774 4.574 . 0.136 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 1 O4'-C1'-N19 112.667 4.467 . 0.316 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 0 C4'-C3'-C2' 99.207 -3.493 . 0.278 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 1 O4'-C1'-N19 112.537 4.337 . 0.213 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.396 0 C3'-C2'-C1' 105.005 3.895 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.144 1 C5'-C4'-C3' 108.179 -4.881 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.184 0 O4'-C1'-N19 111.186 2.986 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.332 0 C5'-C4'-C3' 110.528 -3.315 . 0.382 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.441 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.411 -3.518 1 O5'-C5'-C4' 117.08 4.914 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.145 0 C5'-C4'-C3' 111.886 -2.409 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 1 O4'-C1'-N19 112.259 4.059 . 0.758 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 C4'-C3'-C2' 100.205 -2.495 . 0.381 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.083 0 O4'-C1'-N19 111.015 2.815 . 0.423 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.192 0 O4'-C1'-N19 110.387 2.187 . 0.274 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.178 0 O4'-C1'-N19 112.125 3.925 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 112.138 3.938 . 0.067 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 O4'-C1'-N19 111.237 3.037 . 0.338 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.473 3.273 . 0.591 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.155 0 O4'-C1'-N19 111.498 3.298 . 0.576 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 C5'-C4'-O4' 116.578 5.27 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 P-O3'-C3' 122.8 2.583 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.098 2.898 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 0 C5'-C4'-C3' 111.342 -2.772 . 0.164 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.271 2 C5'-C4'-C3' 105.362 -6.759 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.21 1 P-O3'-C3' 125.533 4.861 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.001 2.801 . 0.864 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.062 1 O4'-C1'-N19 112.512 4.312 . 0.617 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 O4'-C1'-N19 111.14 2.94 . 0.494 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 110.99 2.79 . 0.691 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.9 ttp . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -100.81 115.75 31.06 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 123.456 0.702 . . . . 0.0 109.961 -175.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 3.7 mp -101.24 137.76 27.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 123.925 0.89 . . . . 0.0 110.496 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.4 mt -132.54 161.34 34.05 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 124.386 1.075 . . . . 0.0 109.826 173.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 60.9 m -128.02 100.94 6.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.1 mtp180 -120.03 147.17 45.14 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 122.824 0.45 . . . . 0.0 110.776 -170.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -104.35 160.66 14.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.834 0.853 . . . . 0.0 109.702 -170.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.495 HG13 ' HA2' ' A' ' 24' ' ' GLY . 60.9 t -47.66 128.9 3.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.213 0 C-N-CA 122.726 0.41 . . . . 0.0 111.297 -178.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.62 -6.49 70.7 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 124.599 1.095 . . . . 0.0 114.002 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 85.1 mt-10 -91.14 172.09 8.8 Favored 'General case' 0 N--CA 1.455 -0.182 0 CA-C-N 118.529 1.164 . . . . 0.0 112.165 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.7 m -140.11 158.07 44.62 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -170.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.1 mm -120.49 159.58 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.1 0 C-N-CA 126.466 1.906 . . . . 0.0 109.561 173.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -131.21 139.13 49.64 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.372 1.069 . . . . 0.0 110.847 173.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.5 mt -132.57 131.07 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.314 0 C-N-CA 124.449 1.099 . . . . 0.0 109.599 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 68.9 -125.24 18.98 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.465 -0.654 . . . . 0.0 111.465 176.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -129.92 -4.9 4.53 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.358 1.063 . . . . 0.0 111.762 179.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 10.2 p-10 -138.1 -8.93 1.55 Allowed 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 114.463 1.283 . . . . 0.0 114.463 -168.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 11.6 mt -111.33 138.01 41.51 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 CA-C-N 119.09 0.859 . . . . 0.0 110.489 -176.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.2 m -139.77 142.16 36.77 Favored 'General case' 0 N--CA 1.457 -0.105 0 C-N-CA 124.215 1.006 . . . . 0.0 109.383 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -126.07 148.1 30.77 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 C-N-CA 124.286 1.034 . . . . 0.0 109.083 -174.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 26.0 m -138.89 138.65 37.62 Favored 'General case' 0 N--CA 1.456 -0.133 0 C-N-CA 123.738 0.815 . . . . 0.0 110.264 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -93.32 100.52 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 171.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.7 mt -73.56 -26.73 60.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 122.675 0.39 . . . . 0.0 110.6 -172.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.495 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 171.7 -170.88 43.74 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 123.294 0.473 . . . . 0.0 113.236 169.817 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 27.6 m -130.83 157.04 43.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.503 0.721 . . . . 0.0 111.34 175.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 50.5 m -141.88 61.18 1.46 Allowed 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.911 1.284 . . . . 0.0 109.622 -174.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.23 -121.04 6.85 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 -175.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -79.41 -4.09 49.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.45 0.7 . . . . 0.0 111.813 175.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -98.87 159.18 15.14 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-O 121.836 0.827 . . . . 0.0 111.928 169.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.3 t -140.79 129.7 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.323 0 C-N-CA 126.487 1.915 . . . . 0.0 108.184 -169.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 12.8 mmm180 -101.88 101.87 12.37 Favored 'General case' 0 N--CA 1.454 -0.258 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 -175.116 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 48.8 mt -108.88 139.97 29.41 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.583 1.153 . . . . 0.0 109.984 -170.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -125.84 142.29 13.58 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 123.43 0.538 . . . . 0.0 112.072 173.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.5 mp -114.91 136.46 51.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.788 1.235 . . . . 0.0 108.987 179.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 71.3 m-80 -119.57 82.43 1.88 Allowed 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 124.722 1.209 . . . . 0.0 109.247 172.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.91 153.4 51.0 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.107 0.963 . . . . 0.0 110.407 171.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -75.26 157.92 41.45 Favored 'Trans proline' 0 N--CA 1.45 -1.055 0 C-N-CA 122.657 2.238 . . . . 0.0 110.683 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mtpt -67.97 -1.3 5.47 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 112.867 0.691 . . . . 0.0 112.867 179.032 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -65.96 -31.02 71.69 Favored 'General case' 0 N--CA 1.452 -0.331 0 C-N-CA 123.821 0.849 . . . . 0.0 111.426 169.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.4 m -118.97 144.07 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 CA-C-O 121.773 0.797 . . . . 0.0 111.248 -178.201 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.03 143.02 29.17 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.667 0.787 . . . . 0.0 110.611 -178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 9.6 m -132.91 128.32 56.57 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 172.041 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 97.9 m-70 -149.82 150.63 32.27 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.156 0.582 . . . . 0.0 110.915 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -66.61 159.29 27.86 Favored 'General case' 0 N--CA 1.455 -0.215 0 C-N-CA 122.585 0.354 . . . . 0.0 111.189 169.663 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -73.32 -24.01 60.33 Favored 'General case' 0 C--N 1.333 -0.109 0 O-C-N 122.097 -0.377 . . . . 0.0 111.89 179.74 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -60.52 -20.37 59.98 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 124.629 1.172 . . . . 0.0 112.671 169.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 5.8 mt -123.03 -29.19 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 124.038 0.935 . . . . 0.0 111.391 -173.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 75.6 t80 -61.02 -31.39 71.01 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 119.14 0.882 . . . . 0.0 110.719 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -76.56 -14.66 59.99 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 123.388 0.675 . . . . 0.0 112.043 179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 ptm180 -81.42 -34.29 31.65 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.038 0.935 . . . . 0.0 110.944 169.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.64 HG22 HE21 ' A' ' 52' ' ' GLN . 50.8 mt -63.6 -52.37 58.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 171.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.64 HE21 HG22 ' A' ' 51' ' ' ILE . 77.1 mm-40 -83.96 5.08 26.91 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 123.704 0.802 . . . . 0.0 112.519 -176.185 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.91 -31.48 68.66 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 122.366 0.266 . . . . 0.0 111.037 169.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.51 18.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.646 0 CA-C-O 119.098 -0.834 . . . . 0.0 113.272 172.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.591 ' O ' HG23 ' A' ' 56' ' ' THR . 16.2 mt -94.24 90.63 6.4 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 118.851 1.325 . . . . 0.0 108.121 -177.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.591 HG23 ' O ' ' A' ' 55' ' ' LEU . 1.0 OUTLIER 163.05 169.74 0.02 OUTLIER 'General case' 0 C--O 1.231 0.089 0 C-N-CA 127.445 2.298 . . . . 0.0 107.811 -169.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -98.73 151.24 37.34 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 122.874 0.469 . . . . 0.0 110.113 167.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -75.11 -41.87 0.58 Allowed 'Trans proline' 0 N--CA 1.452 -0.931 0 C-N-CA 122.792 2.328 . . . . 0.0 112.228 -174.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 p30 . . . . . 0 N--CA 1.454 -0.257 0 C-N-CA 122.829 0.452 . . . . 0.0 111.835 -169.889 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 tpp . . . . . 0 N--CA 1.472 0.663 0 CA-C-O 119.749 -0.167 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -123.98 112.17 16.88 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 125.329 1.452 . . . . 0.0 108.101 169.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.426 HD11 " H5'" ' G' ' 52' ' ' ' A' . 5.2 mp -102.59 142.39 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.221 0 C-N-CA 123.446 0.698 . . . . 0.0 111.486 -169.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.3 mt -136.59 148.55 47.57 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 125.797 1.639 . . . . 0.0 110.311 177.195 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 15.3 m -107.44 117.6 34.53 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.441 -0.948 . . . . 0.0 108.441 169.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.56 154.79 27.66 Favored 'General case' 0 N--CA 1.453 -0.305 0 C-N-CA 125.559 1.544 . . . . 0.0 110.029 -168.011 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -113.65 160.06 19.0 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 119.254 0.934 . . . . 0.0 110.617 166.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 11.8 m -59.18 129.57 21.56 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-O 121.455 0.645 . . . . 0.0 111.125 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.13 -5.64 63.38 Favored Glycine 0 CA--C 1.526 0.777 0 CA-C-O 118.902 -0.943 . . . . 0.0 115.139 -177.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -84.18 169.28 14.96 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 119.381 1.591 . . . . 0.0 111.644 171.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 41.1 m -138.84 156.25 47.47 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 123.743 0.817 . . . . 0.0 112.17 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 39.7 mm -131.59 152.97 38.03 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 C-N-CA 126.41 1.884 . . . . 0.0 108.988 -179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -128.79 141.52 51.28 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.571 1.148 . . . . 0.0 110.481 -178.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 73.3 mt -130.68 130.74 64.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.241 1.016 . . . . 0.0 109.624 178.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.0 -133.55 52.66 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 -173.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -124.58 4.57 8.26 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.682 0.793 . . . . 0.0 112.249 173.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.0 m-20 -120.54 -17.79 7.99 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.603 0.761 . . . . 0.0 113.031 -172.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.49 135.69 57.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 CA-C-N 118.743 0.701 . . . . 0.0 110.611 -171.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 50.0 m -131.71 147.7 52.53 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.425 1.09 . . . . 0.0 109.979 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 17.8 mm -128.09 143.38 41.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 125.755 1.622 . . . . 0.0 108.103 -177.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 33.5 m -135.68 130.69 34.65 Favored 'General case' 0 N--CA 1.456 -0.16 0 C-N-CA 123.115 0.566 . . . . 0.0 110.041 175.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.3 tp -83.7 95.19 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.409 -0.96 . . . . 0.0 108.409 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.3 mt -65.24 -34.28 78.0 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 121.936 -0.478 . . . . 0.0 110.983 -175.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.1 179.37 37.57 Favored Glycine 0 C--N 1.335 0.526 0 N-CA-C 112.57 -0.212 . . . . 0.0 112.57 173.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -109.27 148.1 13.3 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 CA-C-O 121.062 0.458 . . . . 0.0 110.081 173.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 68.1 m -124.54 77.63 1.6 Allowed 'General case' 0 N--CA 1.452 -0.342 0 C-N-CA 124.047 0.939 . . . . 0.0 108.474 170.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.02 -118.49 4.72 Favored Glycine 0 CA--C 1.526 0.721 0 N-CA-C 111.1 -0.8 . . . . 0.0 111.1 -175.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.09 10.25 41.85 Favored 'General case' 0 N--CA 1.454 -0.23 0 O-C-N 122.201 -0.588 . . . . 0.0 111.144 173.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.96 155.08 17.6 Favored 'General case' 0 N--CA 1.449 -0.498 0 C-N-CA 124.164 0.986 . . . . 0.0 109.959 169.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.98 113.73 10.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 C-N-CA 123.065 0.546 . . . . 0.0 109.569 -169.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -84.97 118.91 24.84 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 125.126 1.371 . . . . 0.0 109.612 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -129.29 131.28 67.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.258 1.023 . . . . 0.0 109.694 -170.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -97.93 139.49 14.5 Favored Glycine 0 C--N 1.334 0.453 0 N-CA-C 111.573 -0.611 . . . . 0.0 111.573 171.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 42.6 mt -122.87 131.38 73.37 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.175 0.99 . . . . 0.0 109.036 177.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.4 t-20 -132.56 75.17 1.61 Allowed 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.552 -1.204 . . . . 0.0 109.332 -168.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.77 158.13 50.51 Favored Pre-proline 0 N--CA 1.451 -0.41 0 CA-C-N 113.951 -1.477 . . . . 0.0 109.702 175.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -61.05 156.67 43.22 Favored 'Trans proline' 0 N--CA 1.448 -1.171 0 C-N-CA 122.024 1.816 . . . . 0.0 111.38 169.607 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 18.2 mmmt -68.09 -0.85 4.94 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.231 1.012 . . . . 0.0 112.114 169.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -65.84 -27.41 68.22 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 125.399 1.48 . . . . 0.0 111.184 171.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.7 m -111.83 144.08 20.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 124.695 1.198 . . . . 0.0 109.98 177.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.43 142.65 28.26 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-O 121.599 0.714 . . . . 0.0 111.014 169.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 21.2 t -141.69 96.52 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 114.729 -1.123 . . . . 0.0 109.032 -166.191 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.453 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.3 OUTLIER -144.93 167.19 23.23 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 124.073 0.949 . . . . 0.0 110.558 178.284 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -72.86 162.26 29.71 Favored 'General case' 0 N--CA 1.453 -0.285 0 N-CA-C 112.046 0.388 . . . . 0.0 112.046 169.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -57.98 -41.67 83.47 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.65 0.78 . . . . 0.0 112.495 -171.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -72.22 -3.37 23.11 Favored 'General case' 0 N--CA 1.457 -0.119 0 O-C-N 121.335 -0.853 . . . . 0.0 113.279 179.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.415 ' CG2' " H1'" ' G' ' 26' ' ' ' A' . 14.8 mm -101.98 -50.13 10.2 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 C-N-CA 123.708 0.803 . . . . 0.0 109.712 169.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -49.3 -38.84 28.84 Favored 'General case' 0 N--CA 1.449 -0.485 0 C-N-CA 125.444 1.498 . . . . 0.0 112.264 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -70.23 -23.22 62.88 Favored 'General case' 0 N--CA 1.453 -0.277 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -173.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.8 mpt_? -76.55 -43.57 38.53 Favored 'General case' 0 CA--C 1.52 -0.207 0 CA-C-N 118.9 0.773 . . . . 0.0 109.899 170.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.519 HG22 HE22 ' B' ' 52' ' ' GLN . 98.3 mt -63.78 -37.73 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 123.459 0.704 . . . . 0.0 109.43 -173.238 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.519 HE22 HG22 ' B' ' 51' ' ' ILE . 15.2 mm-40 -81.09 1.14 32.92 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 112.916 0.71 . . . . 0.0 112.916 175.08 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.25 -19.66 50.08 Favored 'General case' 0 N--CA 1.452 -0.337 0 C-N-CA 123.384 0.674 . . . . 0.0 111.764 169.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 133.2 50.24 0.09 OUTLIER Glycine 0 C--N 1.338 0.676 0 CA-C-O 119.589 -0.562 . . . . 0.0 114.049 169.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -168.95 -177.41 2.96 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 117.61 0.705 . . . . 0.0 112.387 -168.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 57.2 p -128.18 -172.2 2.63 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.339 1.456 . . . . 0.0 109.556 168.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.4 124.02 4.55 Favored Pre-proline 0 N--CA 1.454 -0.249 0 C-N-CA 123.761 0.825 . . . . 0.0 111.312 179.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -62.69 171.43 5.77 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.844 2.362 . . . . 0.0 114.461 -169.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.5 t70 . . . . . 0 N--CA 1.453 -0.281 0 C-N-CA 124.753 1.221 . . . . 0.0 113.078 -176.773 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 18.4 tpp . . . . . 0 N--CA 1.476 0.842 0 CA-C-O 119.28 -0.39 . . . . 0.0 110.697 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.37 107.38 15.78 Favored 'General case' 0 N--CA 1.453 -0.321 0 N-CA-C 107.265 -1.383 . . . . 0.0 107.265 167.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -81.24 131.97 32.64 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.389 0 C-N-CA 123.765 0.826 . . . . 0.0 109.069 177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 96.0 mt -126.75 138.97 53.45 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.04 0.936 . . . . 0.0 109.416 169.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 25.9 p -102.15 145.31 29.55 Favored 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 121.588 0.708 . . . . 0.0 111.196 169.279 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 mmp_? -138.89 145.27 39.71 Favored 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 124.532 1.133 . . . . 0.0 109.157 177.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -78.0 162.55 26.67 Favored 'General case' 0 N--CA 1.452 -0.355 0 N-CA-C 107.761 -1.2 . . . . 0.0 107.761 167.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 35.8 m -58.67 133.25 23.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 O-C-N 121.819 -0.551 . . . . 0.0 111.21 174.39 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.97 -2.19 87.0 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 124.782 1.182 . . . . 0.0 114.091 -178.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 70.0 mt-10 -87.57 169.11 12.45 Favored 'General case' 0 CA--C 1.531 0.22 0 CA-C-N 119.493 1.646 . . . . 0.0 111.853 174.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 74.2 m -129.23 158.2 39.7 Favored 'General case' 0 CA--C 1.527 0.093 0 N-CA-C 114.148 1.166 . . . . 0.0 114.148 -168.628 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 38.5 mt -136.77 159.01 37.43 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 C-N-CA 127.745 2.418 . . . . 0.0 108.242 -176.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 8.5 m120 -134.95 149.54 50.25 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.243 1.017 . . . . 0.0 112.051 178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 65.3 mt -135.27 140.24 45.34 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.643 1.177 . . . . 0.0 109.095 177.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.96 -137.3 49.97 Favored Glycine 0 CA--C 1.525 0.696 0 N-CA-C 111.34 -0.704 . . . . 0.0 111.34 -174.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -124.15 9.99 8.69 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.968 0.907 . . . . 0.0 111.442 169.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -128.41 -10.82 5.15 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 124.054 0.942 . . . . 0.0 112.824 -170.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -119.65 133.34 66.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 118.678 0.672 . . . . 0.0 110.966 -173.052 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.3 m -120.01 148.0 44.1 Favored 'General case' 0 N--CA 1.457 -0.096 0 C-N-CA 124.596 1.158 . . . . 0.0 109.496 169.802 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 27.7 mm -130.1 141.93 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.375 1.47 . . . . 0.0 107.986 -178.166 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -134.52 127.82 32.13 Favored 'General case' 0 CA--C 1.52 -0.177 0 O-C-N 121.95 -0.469 . . . . 0.0 110.144 175.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . 0.443 HD11 HG13 ' C' ' 30' ' ' VAL . 0.0 OUTLIER -85.89 110.1 19.35 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.412 0 N-CA-C 106.117 -1.808 . . . . 0.0 106.117 168.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.47 HD13 " H1'" ' G' ' 67' ' ' ' C' . 9.8 mt -79.79 -46.55 16.75 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.71 -0.619 . . . . 0.0 110.08 -171.089 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 178.6 178.75 48.16 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 121.221 -0.514 . . . . 0.0 113.539 169.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.3 m -113.76 152.85 15.39 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-O 121.395 0.617 . . . . 0.0 111.272 174.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 7.8 m -149.9 110.94 4.36 Favored 'General case' 0 N--CA 1.454 -0.267 0 N-CA-C 106.552 -1.648 . . . . 0.0 106.552 168.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 74.44 -142.01 29.58 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 120.463 -0.875 . . . . 0.0 110.983 -168.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -85.13 3.32 39.58 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.704 0.802 . . . . 0.0 111.331 167.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -88.65 139.24 30.67 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 125.174 1.39 . . . . 0.0 110.535 -175.271 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . 0.443 HG13 HD11 ' C' ' 22' ' ' ILE . 39.5 t -125.19 118.29 52.37 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.391 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 -177.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.5 ttm180 -81.81 118.45 22.9 Favored 'General case' 0 N--CA 1.455 -0.211 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 169.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.2 mt -124.91 129.37 73.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 125.137 1.375 . . . . 0.0 109.823 -174.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -96.1 140.59 15.13 Favored Glycine 0 CA--C 1.525 0.694 0 C-N-CA 126.483 1.992 . . . . 0.0 112.16 172.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.4 mt -125.9 123.38 64.03 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 124.327 1.051 . . . . 0.0 109.552 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 51.0 t-20 -116.24 99.5 7.26 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.751 0.82 . . . . 0.0 109.982 178.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.64 155.26 80.68 Favored Pre-proline 0 N--CA 1.453 -0.318 0 C-N-CA 123.975 0.91 . . . . 0.0 109.641 175.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 28.8 Cg_endo -62.07 150.22 87.39 Favored 'Trans proline' 0 N--CA 1.451 -0.975 0 C-N-CA 122.437 2.092 . . . . 0.0 110.715 171.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 mmmt -66.33 -1.04 3.01 Favored 'General case' 0 CA--C 1.529 0.14 0 C-N-CA 123.424 0.689 . . . . 0.0 112.439 173.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.85 -25.29 67.13 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.627 1.171 . . . . 0.0 111.388 169.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.89 152.04 23.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.24 1.016 . . . . 0.0 110.672 175.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.11 153.11 21.51 Favored 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.48 178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -136.78 131.43 47.06 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 168.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 -153.16 154.18 34.24 Favored 'General case' 0 CA--C 1.521 -0.158 0 C-N-CA 122.694 0.398 . . . . 0.0 111.838 -179.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 33.8 ptt-85 -70.37 156.64 39.05 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 166.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -59.97 -34.53 73.41 Favored 'General case' 0 CA--C 1.529 0.146 0 N-CA-C 112.972 0.73 . . . . 0.0 112.972 -168.182 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -70.55 -19.92 62.85 Favored 'General case' 0 N--CA 1.456 -0.167 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 47.0 mm -97.67 -31.41 3.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 123.777 0.831 . . . . 0.0 110.881 172.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 60.2 t80 -54.5 -41.68 69.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 O-C-N 121.648 -0.658 . . . . 0.0 111.815 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.0 mt-30 -58.35 -32.81 68.89 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.539 0.736 . . . . 0.0 112.346 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 35.6 ttm-85 -71.84 -35.59 69.92 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.943 0.897 . . . . 0.0 111.548 176.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.4 mp -70.12 -20.58 23.12 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 CA-C-N 118.349 0.522 . . . . 0.0 110.722 174.078 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.7 mm-40 -89.46 -3.99 58.16 Favored 'General case' 0 N--CA 1.454 -0.25 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 172.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -90.48 -17.12 27.67 Favored 'General case' 0 N--CA 1.453 -0.286 0 C-N-CA 123.641 0.777 . . . . 0.0 113.083 -174.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 117.78 130.61 4.34 Favored Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.594 -1.002 . . . . 0.0 110.594 -171.486 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -102.04 -11.95 18.51 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.538 0.735 . . . . 0.0 112.274 -168.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 1.6 m 55.18 34.02 21.78 Favored 'General case' 0 N--CA 1.456 -0.165 0 C-N-CA 124.893 1.277 . . . . 0.0 112.007 -172.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -150.35 83.63 5.93 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 124.006 0.923 . . . . 0.0 110.336 174.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 31.3 Cg_exo -63.23 152.5 79.45 Favored 'Trans proline' 0 N--CA 1.453 -0.905 0 C-N-CA 123.236 2.624 . . . . 0.0 112.623 177.202 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.531 0.229 0 C-N-CA 125.409 1.484 . . . . 0.0 113.443 171.967 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.442 ' HG2' HD11 ' D' ' 3' ' ' ILE 0.368 1.3 tpp . . . . . 0 N--CA 1.475 0.783 1 N-CA-C 98.625 -4.583 . . . . 0.0 98.625 . . . . . . . . . 3 2 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -105.96 100.26 9.82 Favored 'General case' 0 N--CA 1.448 -0.566 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 -167.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.442 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.1 mp -91.32 135.9 25.69 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.445 1.098 . . . . 0.0 109.556 -175.25 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 88.3 mt -136.23 162.8 31.96 Favored 'General case' 0 N--CA 1.455 -0.178 0 C-N-CA 125.016 1.326 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 14.6 p -112.72 113.94 26.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 108.943 -0.762 . . . . 0.0 108.943 165.385 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -115.04 144.6 43.37 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 122.744 0.418 . . . . 0.0 110.102 168.459 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -83.26 162.99 20.99 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.663 0.785 . . . . 0.0 109.89 173.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.7 m -55.81 136.49 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 CA-C-O 120.902 0.382 . . . . 0.0 111.181 171.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.58 -1.09 83.61 Favored Glycine 0 CA--C 1.526 0.776 0 CA-C-O 119.154 -0.803 . . . . 0.0 114.339 179.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -98.93 170.69 8.56 Favored 'General case' 0 CA--C 1.53 0.177 0 CA-C-N 118.641 1.22 . . . . 0.0 111.556 178.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.8 m -132.99 160.02 38.34 Favored 'General case' 0 N--CA 1.456 -0.142 0 N-CA-C 113.363 0.875 . . . . 0.0 113.363 -169.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 5.8 mt -142.0 165.04 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 126.651 1.98 . . . . 0.0 108.27 -178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.2 m120 -141.81 149.23 40.08 Favored 'General case' 0 N--CA 1.453 -0.294 0 C-N-CA 123.897 0.879 . . . . 0.0 112.267 -172.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 52.2 mt -136.11 136.82 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 124.953 1.301 . . . . 0.0 108.99 177.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.34 -135.7 51.64 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 111.35 -0.7 . . . . 0.0 111.35 -174.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -125.28 9.81 7.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 123.926 0.89 . . . . 0.0 111.777 173.735 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -132.27 -11.54 3.23 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.391 0.885 . . . . 0.0 113.391 -173.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -114.59 136.59 50.7 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 CA-C-N 118.843 0.747 . . . . 0.0 110.703 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 33.3 m -129.11 145.17 51.35 Favored 'General case' 0 N--CA 1.453 -0.276 0 C-N-CA 124.769 1.228 . . . . 0.0 109.786 177.197 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 15.5 mm -121.56 141.35 42.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.249 0 C-N-CA 125.188 1.395 . . . . 0.0 108.111 173.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 55.7 m -136.01 120.85 18.57 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.433 0.693 . . . . 0.0 109.364 174.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tp -74.22 105.37 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 171.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 28.4 mt -74.66 -31.69 62.02 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 122.908 0.483 . . . . 0.0 110.542 -174.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.87 -179.7 39.37 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 112.801 -0.119 . . . . 0.0 112.801 170.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 8.9 m -109.48 158.78 9.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 122.866 0.466 . . . . 0.0 110.929 169.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 51.0 m -142.83 74.78 1.46 Allowed 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 124.685 1.194 . . . . 0.0 108.722 169.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.51 -117.19 4.4 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.5 -0.64 . . . . 0.0 111.5 -176.028 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -82.46 -19.24 39.29 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.024 0.929 . . . . 0.0 110.629 172.327 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . 0.662 ' NE2' ' H41' ' G' ' 4' ' ' ' C' . 2.0 mm100 -74.22 138.15 43.51 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.085 0.469 . . . . 0.0 110.498 177.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -123.75 118.41 54.11 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.375 0 N-CA-C 107.727 -1.212 . . . . 0.0 107.727 173.409 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 16.7 ttm-85 -95.78 109.29 21.62 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 124.574 1.15 . . . . 0.0 108.832 -174.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -118.15 119.84 62.63 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 C-N-CA 123.531 0.732 . . . . 0.0 110.11 -169.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.4 131.66 10.73 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 110.332 -1.107 . . . . 0.0 110.332 172.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 50.0 mt -120.61 140.17 45.55 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 108.687 -0.857 . . . . 0.0 108.687 179.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -138.02 89.93 2.44 Favored 'General case' 0 N--CA 1.45 -0.473 0 N-CA-C 108.914 -0.773 . . . . 0.0 108.914 -175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -115.57 154.69 47.86 Favored Pre-proline 0 N--CA 1.451 -0.4 0 C-N-CA 124.581 1.152 . . . . 0.0 108.705 170.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -55.85 143.31 81.93 Favored 'Trans proline' 0 N--CA 1.448 -1.162 0 C-N-CA 121.585 1.524 . . . . 0.0 109.536 169.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 23.3 tptp -66.6 -7.99 24.1 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-O 121.377 0.608 . . . . 0.0 112.582 -179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -65.97 -20.74 66.3 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 126.025 1.73 . . . . 0.0 112.79 170.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.9 m -121.55 160.05 23.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 124.081 0.952 . . . . 0.0 110.464 174.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -92.51 157.01 16.77 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -173.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -151.24 128.44 2.21 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 C-N-CA 123.594 0.758 . . . . 0.0 109.426 168.335 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . 0.416 ' HD1' ' H1 ' ' G' ' 8' ' ' ' G' . 12.1 m-70 -152.81 173.98 14.63 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.671 0.789 . . . . 0.0 111.689 178.334 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 29.0 mtm180 -72.68 161.25 31.0 Favored 'General case' 0 N--CA 1.456 -0.135 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 167.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -61.53 -41.47 97.37 Favored 'General case' 0 CA--C 1.528 0.106 0 O-C-N 121.53 -0.731 . . . . 0.0 111.618 -178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 mp0 -49.41 -43.24 44.34 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.435 1.094 . . . . 0.0 112.289 171.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.691 HD12 ' C2 ' ' G' ' 7' ' ' ' C' . 26.1 mm -84.53 -42.04 16.51 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 C-N-CA 124.618 1.167 . . . . 0.0 111.622 -168.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 13.1 t80 -47.76 -36.5 11.65 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 125.022 1.329 . . . . 0.0 112.195 -177.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 76.6 mt-30 -59.62 -26.59 65.61 Favored 'General case' 0 N--CA 1.452 -0.361 0 C-N-CA 125.084 1.353 . . . . 0.0 112.998 -178.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -80.1 -48.08 13.8 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.885 0.766 . . . . 0.0 110.998 -176.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.711 ' H ' HD12 ' D' ' 51' ' ' ILE . 4.8 mp -61.57 -18.84 19.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 125.824 1.649 . . . . 0.0 111.42 177.11 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -104.4 -4.31 22.98 Favored 'General case' 0 N--CA 1.453 -0.322 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -110.97 -45.12 3.5 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 124.374 1.07 . . . . 0.0 113.38 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -166.73 -4.01 0.03 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 115.048 0.779 . . . . 0.0 115.048 -173.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.426 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 75.43 144.91 0.08 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 127.582 2.353 . . . . 0.0 113.041 167.467 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 3.3 p -137.26 -30.93 0.83 Allowed 'General case' 0 N--CA 1.457 -0.103 0 N-CA-C 114.039 1.126 . . . . 0.0 114.039 -169.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -138.96 99.54 8.22 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 123.333 0.653 . . . . 0.0 109.88 173.773 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -66.21 175.83 4.51 Favored 'Trans proline' 0 N--CA 1.452 -0.913 0 C-N-CA 122.997 2.465 . . . . 0.0 114.134 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 114.894 -1.048 . . . . 0.0 112.205 176.441 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 119.736 -0.174 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -136.94 119.86 16.39 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 123.515 0.726 . . . . 0.0 109.498 169.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 27.6 mm -102.15 140.14 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.218 0 C-N-CA 123.968 0.907 . . . . 0.0 110.397 -174.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -137.3 161.38 36.4 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.206 1.403 . . . . 0.0 110.575 -177.184 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.47 127.74 35.92 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 168.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -135.69 126.86 28.11 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.155 0.982 . . . . 0.0 110.126 -169.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 13.9 pttp -89.63 164.39 14.76 Favored 'General case' 0 CA--C 1.522 -0.131 0 CA-C-N 119.484 1.038 . . . . 0.0 112.207 173.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 10.9 m -56.6 140.19 15.1 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 CA-C-N 115.692 -0.685 . . . . 0.0 111.903 -173.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.4 -6.3 83.73 Favored Glycine 0 CA--C 1.527 0.834 0 C-N-CA 124.015 0.817 . . . . 0.0 114.223 178.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 63.0 mt-10 -95.57 177.32 5.85 Favored 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 118.782 1.291 . . . . 0.0 111.643 177.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 22.7 m -139.14 157.52 45.8 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 113.344 0.868 . . . . 0.0 113.344 -169.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 59.6 mt -135.19 150.36 29.49 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 126.742 2.017 . . . . 0.0 108.366 -179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -125.86 150.29 47.99 Favored 'General case' 0 N--CA 1.455 -0.193 0 CA-C-O 121.48 0.657 . . . . 0.0 112.394 -178.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 51.1 mt -135.47 134.08 52.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 124.793 1.237 . . . . 0.0 109.259 177.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.06 -134.89 52.26 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 111.307 -0.717 . . . . 0.0 111.307 -174.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -129.87 10.09 5.46 Favored 'General case' 0 N--CA 1.456 -0.156 0 C-N-CA 124.223 1.009 . . . . 0.0 112.146 171.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -126.28 -12.02 6.3 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -117.21 132.14 67.88 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 CA-C-N 119.082 0.855 . . . . 0.0 110.909 -171.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 17.1 m -125.55 143.46 51.0 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 124.292 1.037 . . . . 0.0 110.188 176.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.4 mm -122.51 136.88 57.91 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 125.219 1.408 . . . . 0.0 108.388 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 21.3 m -132.38 123.55 26.97 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.203 0.601 . . . . 0.0 109.828 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . 0.416 HG22 ' H ' ' E' ' 22' ' ' ILE . 2.0 tp -81.0 99.78 4.67 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 175.068 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.2 mt -68.86 -30.04 68.47 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 122.782 0.433 . . . . 0.0 110.724 -175.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.4 -178.24 32.14 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 123.972 0.796 . . . . 0.0 112.929 169.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.2 m -103.59 152.77 6.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.134 0.574 . . . . 0.0 111.188 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 44.9 m -144.21 90.03 2.07 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 124.485 1.114 . . . . 0.0 108.978 174.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.54 -128.25 32.48 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.411 -0.675 . . . . 0.0 111.411 -169.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 16.0 mm100 -81.65 -21.17 38.34 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 117.505 0.652 . . . . 0.0 112.005 169.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -68.11 149.15 49.98 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 123.302 0.641 . . . . 0.0 109.845 173.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 40.3 t -138.83 121.41 18.01 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 -174.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -93.66 123.07 36.74 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.081 0.552 . . . . 0.0 110.0 -175.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.2 mt -133.51 131.25 57.31 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 C-N-CA 123.277 0.631 . . . . 0.0 110.644 -168.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.35 143.22 16.4 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 124.35 0.976 . . . . 0.0 111.381 170.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -133.49 128.23 54.54 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 124.868 1.267 . . . . 0.0 108.606 179.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 47.9 t-20 -130.42 98.98 4.85 Favored 'General case' 0 N--CA 1.448 -0.536 0 N-CA-C 109.731 -0.47 . . . . 0.0 109.731 -170.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.11 155.51 74.35 Favored Pre-proline 0 N--CA 1.453 -0.295 0 C-N-CA 124.614 1.166 . . . . 0.0 110.353 178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -61.41 158.48 35.84 Favored 'Trans proline' 0 N--CA 1.45 -1.049 0 C-N-CA 122.833 2.356 . . . . 0.0 111.933 171.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mmmm -68.58 -1.04 5.88 Favored 'General case' 0 N--CA 1.458 -0.043 0 C-N-CA 123.376 0.67 . . . . 0.0 112.646 169.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.85 -23.59 67.28 Favored 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 124.72 1.208 . . . . 0.0 111.432 169.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.11 153.67 26.52 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 124.424 1.089 . . . . 0.0 110.327 178.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.02 158.67 17.92 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.466 172.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -155.09 129.85 1.46 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 O-C-N 121.942 -0.474 . . . . 0.0 110.747 169.689 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 6.6 m-70 -152.69 167.65 28.25 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.746 0.818 . . . . 0.0 111.547 179.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 48.6 mtm105 -71.69 159.74 33.86 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 167.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.9 -18.98 65.67 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 112.852 0.686 . . . . 0.0 112.852 -177.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -65.14 -43.63 91.23 Favored 'General case' 0 N--CA 1.451 -0.375 0 C-N-CA 123.854 0.862 . . . . 0.0 110.99 172.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -81.8 -37.92 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.305 0 C-N-CA 123.342 0.657 . . . . 0.0 109.813 -177.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 69.0 t80 -52.42 -36.24 53.85 Favored 'General case' 0 N--CA 1.453 -0.307 0 C-N-CA 123.58 0.752 . . . . 0.0 112.446 -177.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -60.44 -21.88 62.79 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 123.969 0.908 . . . . 0.0 112.71 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 8.7 mpt_? -72.73 -47.58 45.8 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.194 0.598 . . . . 0.0 109.478 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.455 ' N ' HD12 ' E' ' 51' ' ' ILE . 1.7 mp -63.31 -22.9 31.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 125.145 1.378 . . . . 0.0 110.586 -179.287 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 71.9 mm-40 -85.3 -42.34 14.71 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 169.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -105.26 -31.57 9.03 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 116.308 1.966 . . . . 0.0 116.308 -166.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -128.27 -19.58 1.71 Allowed Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.961 0.791 . . . . 0.0 113.106 -169.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.418 ' N ' HD13 ' E' ' 55' ' ' LEU . 0.2 OUTLIER 59.76 -169.08 0.15 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 127.556 2.343 . . . . 0.0 112.301 169.843 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 31.7 p -78.7 -18.02 54.97 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 112.131 0.419 . . . . 0.0 112.131 178.049 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -141.59 127.34 10.98 Favored Pre-proline 0 N--CA 1.452 -0.346 0 C-N-CA 124.308 1.043 . . . . 0.0 109.463 169.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 75.6 Cg_exo -56.08 -42.9 61.73 Favored 'Trans proline' 0 N--CA 1.453 -0.877 0 C-N-CA 123.373 2.715 . . . . 0.0 113.299 175.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 22.3 t70 . . . . . 0 N--CA 1.452 -0.367 0 C-N-CA 123.274 0.63 . . . . 0.0 110.891 -169.482 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.6 tpt . . . . . 0 N--CA 1.474 0.763 0 N-CA-C 110.827 -0.064 . . . . 0.0 110.827 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.5 mt -95.3 150.01 20.72 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 122.844 0.458 . . . . 0.0 111.345 173.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.19 132.37 68.43 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.378 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 169.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 94.3 mt -129.66 157.63 41.58 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 124.696 1.198 . . . . 0.0 109.664 178.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.8 m -132.78 96.95 3.92 Favored 'General case' 0 N--CA 1.454 -0.235 0 CA-C-N 117.741 0.246 . . . . 0.0 110.378 169.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.31 160.86 24.46 Favored 'General case' 0 N--CA 1.46 0.05 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 175.541 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 23.3 pttm -102.51 174.52 5.86 Favored 'General case' 0 CA--C 1.519 -0.232 0 N-CA-C 113.456 0.91 . . . . 0.0 113.456 -169.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.3 m -59.74 137.96 21.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.053 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.39 -3.84 85.31 Favored Glycine 0 CA--C 1.526 0.78 0 CA-C-O 119.27 -0.739 . . . . 0.0 114.471 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 59.3 mm-40 -87.21 179.42 6.64 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 118.776 1.288 . . . . 0.0 111.883 176.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.2 m -144.66 155.87 43.81 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.035 0.934 . . . . 0.0 112.127 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 33.1 mt -135.31 155.76 37.79 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.146 0 C-N-CA 125.939 1.696 . . . . 0.0 108.017 178.209 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -131.46 146.03 52.06 Favored 'General case' 0 N--CA 1.455 -0.206 0 O-C-N 121.586 -0.696 . . . . 0.0 111.636 -172.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 49.6 mt -135.68 140.81 43.73 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.592 1.157 . . . . 0.0 109.225 179.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.75 -135.5 51.9 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -173.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -127.18 10.08 6.83 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 124.154 0.982 . . . . 0.0 112.246 170.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -130.27 -19.73 3.1 Favored 'General case' 0 N--CA 1.455 -0.187 0 N-CA-C 113.59 0.959 . . . . 0.0 113.59 -178.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -101.61 137.27 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-N 119.118 0.872 . . . . 0.0 110.767 -172.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 95.9 m -136.24 142.66 44.04 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 124.35 1.06 . . . . 0.0 110.541 177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 mm -116.3 142.21 30.79 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.715 1.606 . . . . 0.0 108.213 175.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 35.0 m -136.69 134.25 37.02 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.005 0.922 . . . . 0.0 109.737 177.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.6 tp -95.29 113.03 28.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 8.3 mt -80.6 -28.45 37.09 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 122.538 0.335 . . . . 0.0 110.535 -176.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.56 -169.2 32.26 Favored Glycine 0 CA--C 1.525 0.685 0 C-N-CA 123.017 0.342 . . . . 0.0 113.315 169.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 4.4 m -122.91 159.96 26.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.127 0 C-N-CA 123.32 0.648 . . . . 0.0 111.909 178.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 22.8 t -148.88 96.9 2.63 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.426 1.09 . . . . 0.0 109.187 169.328 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.64 -102.96 1.18 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.724 -0.55 . . . . 0.0 111.724 -177.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -102.34 -18.7 15.3 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 123.071 0.548 . . . . 0.0 112.1 172.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 41.9 mm-40 -72.88 144.67 47.31 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 123.104 0.562 . . . . 0.0 110.432 -179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.96 112.34 19.97 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.382 0 N-CA-C 106.754 -1.573 . . . . 0.0 106.754 -179.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -87.76 125.49 34.46 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 109.395 -0.595 . . . . 0.0 109.395 -178.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -132.67 130.51 59.37 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 124.164 0.986 . . . . 0.0 109.996 -168.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -98.58 139.12 14.27 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 169.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 24.4 mt -126.01 136.35 61.09 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 123.952 0.901 . . . . 0.0 108.814 -177.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 56.4 t-20 -129.49 107.9 9.84 Favored 'General case' 0 N--CA 1.451 -0.384 0 C-N-CA 123.866 0.866 . . . . 0.0 109.172 -177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -137.28 158.5 72.24 Favored Pre-proline 0 N--CA 1.453 -0.31 0 C-N-CA 123.687 0.795 . . . . 0.0 111.301 178.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -64.84 161.75 34.96 Favored 'Trans proline' 0 N--CA 1.451 -1.006 0 C-N-CA 122.935 2.423 . . . . 0.0 112.186 174.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -67.27 -11.57 57.85 Favored 'General case' 0 N--CA 1.457 -0.107 0 C-N-CA 123.713 0.805 . . . . 0.0 112.735 173.649 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -64.96 -20.19 66.35 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 125.125 1.37 . . . . 0.0 112.711 175.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.9 m -127.13 163.95 28.89 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.138 0 C-N-CA 123.655 0.782 . . . . 0.0 111.407 -175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -96.75 162.86 13.24 Favored 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 123.551 0.74 . . . . 0.0 111.579 173.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.1 p -155.04 115.36 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.251 0.62 . . . . 0.0 110.642 177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -154.11 173.84 15.52 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 124.063 0.945 . . . . 0.0 110.936 -179.244 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 30.6 ptt-85 -76.06 164.11 26.46 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 168.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.19 -21.36 63.73 Favored 'General case' 0 N--CA 1.455 -0.203 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -174.449 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -64.45 -46.58 82.52 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.436 0.695 . . . . 0.0 111.19 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -81.98 -30.91 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 123.377 0.671 . . . . 0.0 109.906 -172.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 73.4 t80 -55.19 -37.43 67.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.49 0.716 . . . . 0.0 112.269 174.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.9 -23.97 64.25 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 112.455 0.539 . . . . 0.0 112.455 -177.532 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -76.78 -23.77 52.9 Favored 'General case' 0 N--CA 1.456 -0.173 0 C-N-CA 123.642 0.777 . . . . 0.0 111.35 174.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 75.9 mt -95.41 -35.87 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.97 1.308 . . . . 0.0 110.287 -172.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -79.31 3.05 19.28 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 123.705 0.802 . . . . 0.0 113.061 172.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.59 -14.95 48.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 N-CA-C 113.48 0.918 . . . . 0.0 113.48 177.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.96 37.89 0.12 Allowed Glycine 0 CA--C 1.525 0.705 0 CA-C-O 119.472 -0.627 . . . . 0.0 113.534 169.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.0 -40.63 0.1 Allowed 'General case' 0 N--CA 1.454 -0.242 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -169.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 4.5 m 44.19 45.23 6.92 Favored 'General case' 0 CA--C 1.529 0.138 0 C-N-CA 124.944 1.298 . . . . 0.0 112.604 -169.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.52 126.01 3.41 Favored Pre-proline 0 N--CA 1.453 -0.304 0 C-N-CA 124.146 0.978 . . . . 0.0 109.937 174.563 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_exo -64.67 178.34 1.79 Allowed 'Trans proline' 0 N--CA 1.453 -0.857 0 C-N-CA 122.625 2.216 . . . . 0.0 113.341 174.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 N--CA 1.454 -0.258 0 C-N-CA 124.297 1.039 . . . . 0.0 112.571 176.456 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 111.759 3.559 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 O4'-C1'-N19 111.68 3.48 . 0.373 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 1 O4'-C1'-N19 113.425 5.225 . 0.38 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . 0.662 ' H41' ' NE2' ' D' ' 29' ' ' GLN . . . . . . . . 0 O4'--C4' 1.416 -3.051 1 O4'-C1'-N19 112.28 4.08 . 0.272 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.43 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.412 0 C3'-C2'-C1' 104.524 3.36 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.43 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C5'-C4'-C3' 110.208 -3.528 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.691 ' C2 ' HD12 ' D' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.35 1 O4'-C1'-N19 114.174 5.974 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . 0.416 ' H1 ' ' HD1' ' D' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 C5'-C4'-C3' 110.398 -3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 O4'-C1'-N19 110.971 2.771 . 0.039 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.294 0 C3'-C2'-C1' 104.71 3.566 . 0.349 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 O4'-C1'-N19 111.423 3.223 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.035 0 C5'-C4'-C3' 112.236 -2.176 . 0.0 OUTLIER '7D dist 6n' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 1 C5'-C4'-C3' 108.533 -4.645 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C4'-C3'-C2' 100.468 -2.232 . 0.617 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.281 0 O4'-C1'-N19 111.639 3.439 . 0.866 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.208 0 O4'-C1'-N19 111.597 3.397 . 0.473 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 0 O4'-C1'-N19 111.788 3.588 . 0.673 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.074 0 C5'-C4'-C3' 111.057 -2.962 . 0.011 4n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.941 2.741 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 0 O4'-C1'-N19 111.982 3.782 . 0.69 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 1 O4'-C1'-N19 112.497 4.297 . 0.522 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.937 0 O4'-C1'-N19 110.711 2.511 . 0.179 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 1 O4'-C1'-N19 112.819 4.619 . 0.643 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 112.13 3.93 . 0.33 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.132 0 N19-C1'-C2' 108.808 -2.87 . 0.71 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . 0.415 " H1'" ' CG2' ' B' ' 47' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.97 0 O4'-C1'-N19 111.294 3.094 . 0.546 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.453 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 C4'-C3'-C2' 100.403 -2.297 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . 0.455 " H4'" " H5'" ' G' ' 29' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.413 -3.362 0 O4'-C1'-N19 111.611 3.411 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . 0.455 " H5'" " H4'" ' G' ' 28' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.272 0 C5'-C4'-C3' 110.945 -3.037 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 C5'-C4'-C3' 109.306 -4.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 1 P-O3'-C3' 125.264 4.637 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.202 0 O4'-C1'-N19 111.168 2.968 . 0.502 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.212 1 O4'-C1'-N19 112.541 4.341 . 0.825 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 C4'-C3'-C2' 99.174 -3.526 . 0.493 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 C4'-C3'-C2' 99.893 -2.807 . 0.161 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 111.499 3.299 . 0.629 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.306 0 C5'-C4'-C3' 110.858 -3.095 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.058 1 O4'-C1'-N19 112.634 4.434 . 0.063 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.398 0 C3'-C2'-C1' 104.382 3.202 . 0.187 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.189 1 O4'-C1'-N19 112.889 4.689 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.401 1 C5'-C4'-C3' 108.844 -4.438 . 0.028 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 2 C3'-C2'-C1' 106.085 5.095 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.222 0 O4'-C1'-N19 112.173 3.973 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.979 1 O4'-C1'-N19 112.856 4.656 . 0.014 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.647 4.447 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.092 0 O4'-C1'-N19 110.987 2.787 . 0.574 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 O4'-C1'-N19 111.475 3.275 . 0.632 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.297 0 C3'-C2'-C1' 105.025 3.917 OUTLIER-EPSILON 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 1 P-O3'-C3' 125.554 4.878 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 O4'-C1'-N19 112.17 3.97 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . 0.407 " C2'" H5'' ' G' ' 52' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.412 -3.433 2 C3'-C2'-C1' 105.467 4.408 . 0.386 6g . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.426 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.414 -3.271 1 O5'-C5'-C4' 117.436 5.169 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 110.17 1.97 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 1 O4'-C1'-N19 112.462 4.262 . 0.894 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.128 0 C4'-C3'-C2' 100.034 -2.666 . 0.547 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 110.865 2.665 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.81 3.678 . 0.558 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 1 O4'-C1'-N19 113.268 5.068 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 1 O4'-C1'-N19 112.341 4.141 . 0.109 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.231 0 O4'-C1'-N19 111.62 3.42 . 0.301 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 112.041 3.841 . 0.406 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.11 0 O4'-C1'-N19 111.437 3.237 . 0.688 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.445 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.29 0 C5'-C4'-C3' 110.087 -3.609 . 0.743 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.445 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C4'-C3'-C2' 99.224 -3.476 . 0.07 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.143 0 O4'-C1'-N19 111.391 3.191 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.414 0 C5'-C4'-C3' 110.355 -3.43 . 0.151 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.47 " H1'" HD13 ' C' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.413 -3.329 1 C3'-C2'-C1' 96.92 -5.089 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O3'-P-O5' 98.833 -2.72 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 C5'-C4'-C3' 111.038 -2.975 . 0.868 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.089 1 O4'-C1'-N19 112.743 4.543 . 0.665 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.996 0 O4'-C1'-N19 111.071 2.871 . 0.299 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 0 O4'-C1'-N19 110.734 2.534 . 0.701 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 34.4 ttp . . . . . 0 N--CA 1.474 0.733 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.29 111.88 24.06 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 123.683 0.793 . . . . 0.0 109.505 -176.104 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -96.3 134.01 35.49 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 C-N-CA 123.528 0.731 . . . . 0.0 109.126 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.3 mt -129.67 158.18 40.05 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 124.268 1.027 . . . . 0.0 109.771 175.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.3 m -118.95 100.88 7.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -110.01 128.05 55.17 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.326 0.651 . . . . 0.0 110.714 -168.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -91.65 153.19 19.86 Favored 'General case' 0 N--CA 1.456 -0.161 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 -176.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.606 HG11 HG13 ' A' ' 25' ' ' VAL . 31.4 m -62.94 136.1 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 119.692 -0.803 . . . . 0.0 112.097 -169.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.13 -2.19 63.41 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 124.489 1.043 . . . . 0.0 114.174 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -102.7 171.8 7.21 Favored 'General case' 0 CA--C 1.529 0.161 0 CA-C-N 118.735 1.267 . . . . 0.0 111.714 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 57.8 m -137.26 149.29 47.02 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.868 1.062 . . . . 0.0 113.868 -168.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.446 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 4.4 mm -107.23 158.39 7.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 C-N-CA 125.648 1.579 . . . . 0.0 109.511 169.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -132.79 134.58 44.88 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 124.552 1.141 . . . . 0.0 109.728 177.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 38.5 mt -131.76 125.8 56.24 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.245 1.018 . . . . 0.0 109.659 -172.307 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 65.91 -129.24 32.48 Favored Glycine 0 CA--C 1.523 0.55 0 N-CA-C 111.127 -0.789 . . . . 0.0 111.127 -178.071 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -124.92 0.02 7.95 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.883 0.873 . . . . 0.0 112.333 179.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -132.15 -23.66 2.17 Favored 'General case' 0 N--CA 1.457 -0.116 0 N-CA-C 113.825 1.046 . . . . 0.0 113.825 -169.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.3 mp -104.51 134.58 45.48 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.248 0 CA-C-N 118.97 0.805 . . . . 0.0 110.503 -172.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.1 m -128.7 138.42 52.13 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 123.962 0.905 . . . . 0.0 109.301 171.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 19.4 mm -118.31 140.93 39.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.381 1.073 . . . . 0.0 108.348 -178.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 56.2 m -134.47 126.49 29.55 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-N 118.283 0.492 . . . . 0.0 110.287 177.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -78.16 101.94 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 169.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.2 mt -70.26 -37.62 74.95 Favored 'General case' 0 N--CA 1.455 -0.197 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 -176.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.87 -169.51 33.57 Favored Glycine 0 C--N 1.338 0.657 0 N-CA-C 114.887 0.715 . . . . 0.0 114.887 166.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.606 HG13 HG11 ' A' ' 8' ' ' VAL . 14.2 m -89.2 158.76 2.95 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.109 0 C-N-CA 123.6 0.76 . . . . 0.0 112.493 -169.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.2 m -147.26 60.89 1.17 Allowed 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 124.82 1.248 . . . . 0.0 108.385 168.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.05 -130.88 19.98 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.622 -0.991 . . . . 0.0 110.622 -168.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -81.58 -8.37 59.71 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.419 0.688 . . . . 0.0 112.658 -176.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . 0.465 ' HA ' ' HA ' ' B' ' 7' ' ' LYS . 13.3 pt20 -98.85 134.69 41.37 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-O 122.575 1.179 . . . . 0.0 110.168 168.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 84.2 t -112.08 124.0 68.38 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.351 0 C-N-CA 126.226 1.81 . . . . 0.0 108.945 -167.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 11.0 ttm180 -93.96 101.9 13.98 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-O 121.207 0.527 . . . . 0.0 110.089 -174.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.4 mt -108.41 135.35 47.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 124.952 1.301 . . . . 0.0 109.471 -176.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.02 142.67 16.19 Favored Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.892 0.758 . . . . 0.0 111.663 171.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.43 125.41 72.65 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 C-N-CA 125.194 1.398 . . . . 0.0 108.596 177.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 77.1 m-20 -106.77 82.75 1.75 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.357 1.063 . . . . 0.0 108.954 169.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -112.42 153.72 44.77 Favored Pre-proline 0 N--CA 1.453 -0.284 0 C-N-CA 124.224 1.01 . . . . 0.0 110.266 169.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -71.87 154.06 58.48 Favored 'Trans proline' 0 N--CA 1.451 -1.024 0 C-N-CA 122.322 2.015 . . . . 0.0 110.46 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.17 -2.49 13.27 Favored 'General case' 0 N--CA 1.456 -0.126 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -70.52 -24.62 62.85 Favored 'General case' 0 N--CA 1.452 -0.334 0 C-N-CA 123.905 0.882 . . . . 0.0 111.716 169.576 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 12.1 m -114.05 144.08 22.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-O 121.953 0.882 . . . . 0.0 111.593 172.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.2 143.03 28.18 Favored 'General case' 0 N--CA 1.45 -0.427 0 C-N-CA 123.735 0.814 . . . . 0.0 110.544 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 12.8 m -132.09 130.43 60.92 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.099 0 C-N-CA 122.84 0.456 . . . . 0.0 109.928 173.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.458 ' CD2' HD11 ' A' ' 51' ' ' ILE . 98.0 m-70 -151.58 159.6 44.02 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.671 0.788 . . . . 0.0 110.379 -173.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.55 162.16 19.01 Favored 'General case' 0 N--CA 1.456 -0.139 0 O-C-N 122.212 -0.305 . . . . 0.0 111.774 169.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -64.82 -31.58 72.88 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.535 0.734 . . . . 0.0 112.365 -173.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -54.31 -25.17 22.28 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.317 1.047 . . . . 0.0 112.652 171.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 1.6 mt -117.3 -26.29 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 C-N-CA 124.611 1.164 . . . . 0.0 110.986 -169.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 76.0 t80 -62.4 -31.71 72.43 Favored 'General case' 0 N--CA 1.45 -0.427 0 O-C-N 121.553 -0.717 . . . . 0.0 110.697 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -72.91 -16.54 61.56 Favored 'General case' 0 N--CA 1.451 -0.393 0 C-N-CA 123.557 0.743 . . . . 0.0 112.092 178.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.4 ptm180 -77.84 -33.21 52.4 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.855 0.862 . . . . 0.0 111.087 170.773 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.527 HG22 HE21 ' A' ' 52' ' ' GLN . 23.3 mt -64.81 -52.47 53.85 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 123.659 0.784 . . . . 0.0 108.997 172.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.527 HE21 HG22 ' A' ' 51' ' ' ILE . 81.4 mm-40 -84.07 5.02 27.54 Favored 'General case' 0 N--CA 1.452 -0.362 0 C-N-CA 123.705 0.802 . . . . 0.0 112.267 -173.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.53 -29.23 67.74 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 122.946 0.498 . . . . 0.0 111.007 168.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 160.91 10.93 0.04 OUTLIER Glycine 0 CA--C 1.526 0.749 0 CA-C-O 119.207 -0.774 . . . . 0.0 113.537 170.273 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.533 ' O ' HG23 ' A' ' 56' ' ' THR . 21.6 mt -87.04 90.72 8.46 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-N 118.792 1.296 . . . . 0.0 108.519 -172.164 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 55' ' ' LEU . 3.0 p 177.41 -44.75 0.01 OUTLIER 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 126.801 2.04 . . . . 0.0 107.921 -169.65 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.73 157.78 71.58 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 125.381 1.472 . . . . 0.0 111.772 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -74.14 163.88 35.6 Favored 'Trans proline' 0 N--CA 1.452 -0.941 0 C-N-CA 123.441 2.761 . . . . 0.0 112.335 176.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 N--CA 1.453 -0.305 0 C-N-CA 124.543 1.137 . . . . 0.0 112.228 178.005 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.8 tpp . . . . . 0 N--CA 1.475 0.776 0 CA-C-O 119.743 -0.17 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -108.08 120.95 43.78 Favored 'General case' 0 N--CA 1.455 -0.184 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 168.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.4 HD11 " H5'" ' G' ' 52' ' ' ' A' . 61.8 mt -117.52 136.6 54.15 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 122.751 0.42 . . . . 0.0 112.016 -166.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -138.8 139.39 38.21 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 124.677 1.191 . . . . 0.0 110.504 -175.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 22.5 p -86.03 132.22 34.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 166.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' B' ' 6' ' ' ARG . 0.4 OUTLIER -129.86 112.99 14.1 Favored 'General case' 0 N--CA 1.452 -0.341 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.671 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . 0.465 ' HA ' ' HA ' ' A' ' 29' ' ' GLN . 64.7 tttt -82.58 146.45 29.16 Favored 'General case' 0 N--CA 1.454 -0.249 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 17.8 m -53.2 129.2 13.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.208 0 CA-C-O 121.216 0.531 . . . . 0.0 111.667 -168.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.57 -12.47 61.35 Favored Glycine 0 CA--C 1.527 0.805 0 C-N-CA 124.149 0.88 . . . . 0.0 114.813 -176.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 85.0 mt-10 -82.01 165.49 20.63 Favored 'General case' 0 CA--C 1.53 0.174 0 CA-C-N 119.11 1.455 . . . . 0.0 111.66 174.739 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -133.7 157.23 46.34 Favored 'General case' 0 N--CA 1.456 -0.138 0 C-N-CA 123.598 0.759 . . . . 0.0 112.434 -171.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 28.8 mt -136.86 157.15 35.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.907 1.683 . . . . 0.0 109.302 -176.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -138.78 142.0 38.79 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.481 0.712 . . . . 0.0 111.058 -171.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 69.8 mt -133.48 127.39 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.421 1.089 . . . . 0.0 109.608 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.87 -135.07 52.26 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.36 -0.696 . . . . 0.0 111.36 -176.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 21.7 m-20 -120.57 -2.22 9.97 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 123.725 0.81 . . . . 0.0 112.424 175.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.2 m-20 -114.81 -18.85 11.23 Favored 'General case' 0 N--CA 1.455 -0.2 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -172.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 3.9 mp -118.47 134.79 60.98 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-N 118.901 0.773 . . . . 0.0 110.958 -170.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 15.8 m -131.38 149.35 52.58 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.689 1.196 . . . . 0.0 109.949 170.025 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.7 mm -129.15 145.12 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.294 0 C-N-CA 126.0 1.72 . . . . 0.0 108.28 -177.117 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 36.3 m -137.16 131.55 32.71 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 122.889 0.476 . . . . 0.0 110.06 173.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -82.46 95.19 3.17 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 19.9 mt -65.46 -33.11 75.16 Favored 'General case' 0 N--CA 1.455 -0.212 0 O-C-N 121.945 -0.472 . . . . 0.0 110.891 -175.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.33 -179.23 35.98 Favored Glycine 0 C--N 1.335 0.514 0 C-N-CA 123.369 0.509 . . . . 0.0 112.058 171.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -107.48 145.28 15.01 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.182 0 CA-C-O 121.223 0.535 . . . . 0.0 110.323 176.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 28.0 t -121.21 71.83 0.97 Allowed 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.798 1.239 . . . . 0.0 108.0 175.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.36 -119.76 5.41 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.789 -0.924 . . . . 0.0 110.789 -171.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . 0.497 ' HA ' HE21 ' B' ' 28' ' ' GLN . 0.0 OUTLIER -98.19 11.31 38.22 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 122.012 -0.699 . . . . 0.0 111.494 174.701 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -98.94 156.44 16.9 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.106 168.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 21.4 t -135.77 115.51 17.19 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 -172.006 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 1.8 mmt85 -83.65 117.5 23.22 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 124.006 0.922 . . . . 0.0 109.724 177.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -127.38 129.81 70.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 124.393 1.077 . . . . 0.0 109.463 -171.686 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.83 136.12 13.01 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.148 -0.781 . . . . 0.0 111.148 170.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 45.7 mt -120.08 130.57 74.13 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 CA-C-O 121.86 0.838 . . . . 0.0 109.314 175.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 35.0 t-20 -130.2 76.81 1.75 Allowed 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 114.428 -1.26 . . . . 0.0 109.214 -168.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.73 157.13 63.73 Favored Pre-proline 0 N--CA 1.449 -0.507 0 CA-C-N 113.972 -1.467 . . . . 0.0 109.85 176.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.11 158.01 36.67 Favored 'Trans proline' 0 N--CA 1.449 -1.131 0 C-N-CA 122.026 1.818 . . . . 0.0 111.684 169.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 17.5 mmmt -71.66 -0.9 11.95 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 123.909 0.884 . . . . 0.0 112.253 171.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -65.99 -25.32 67.03 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 125.255 1.422 . . . . 0.0 111.634 169.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -111.93 144.09 20.41 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.106 0.963 . . . . 0.0 109.986 176.504 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.9 143.08 27.57 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-O 121.491 0.662 . . . . 0.0 111.225 169.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 19.1 t -142.53 97.45 0.67 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.335 0 CA-C-N 114.637 -1.165 . . . . 0.0 109.021 -166.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -146.18 163.77 34.35 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 122.92 0.488 . . . . 0.0 111.469 178.08 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.446 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 36.4 ptt-85 -69.05 159.85 32.09 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 120.534 0.207 . . . . 0.0 111.209 169.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -55.01 -38.12 67.48 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 123.393 0.677 . . . . 0.0 112.568 -175.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 -48.68 -50.63 32.38 Favored 'General case' 0 N--CA 1.456 -0.13 0 CA-C-N 118.346 0.521 . . . . 0.0 110.874 175.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 11.5 mm -74.52 -47.94 37.35 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.443 0 C-N-CA 125.084 1.354 . . . . 0.0 109.925 -172.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 77.1 t80 -50.94 -37.5 44.68 Favored 'General case' 0 N--CA 1.448 -0.542 0 C-N-CA 124.263 1.025 . . . . 0.0 111.735 178.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 66.7 mt-30 -70.53 -22.89 62.56 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 113.259 0.837 . . . . 0.0 113.259 -175.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.461 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.5 mpt_? -83.82 -38.59 21.04 Favored 'General case' 0 C--N 1.339 0.126 0 CA-C-N 119.287 0.949 . . . . 0.0 110.735 170.091 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.542 HG22 ' NE2' ' B' ' 52' ' ' GLN . 93.8 mt -62.67 -40.9 90.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.491 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.542 ' NE2' HG22 ' B' ' 51' ' ' ILE . 30.7 mm-40 -80.17 4.99 15.68 Favored 'General case' 0 N--CA 1.454 -0.273 0 N-CA-C 113.308 0.855 . . . . 0.0 113.308 173.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.461 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -79.43 -19.86 48.91 Favored 'General case' 0 N--CA 1.452 -0.339 0 C-N-CA 122.913 0.485 . . . . 0.0 111.272 168.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.84 47.48 0.08 OUTLIER Glycine 0 C--N 1.338 0.639 0 CA-C-O 119.438 -0.645 . . . . 0.0 114.071 169.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 pp -169.03 -176.72 2.71 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.92 0.86 . . . . 0.0 112.866 -168.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 34.9 p -125.41 178.42 5.63 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 125.461 1.504 . . . . 0.0 109.345 167.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.417 ' HA ' ' HD3' ' B' ' 58' ' ' PRO . . . -38.65 119.02 1.08 Allowed Pre-proline 0 CA--C 1.531 0.249 0 C-N-CA 124.778 1.231 . . . . 0.0 112.045 179.526 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' B' ' 57' ' ' ALA . 45.9 Cg_exo -70.37 177.48 5.96 Favored 'Trans proline' 0 N--CA 1.453 -0.907 0 C-N-CA 121.847 1.698 . . . . 0.0 114.959 -169.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 N--CA 1.45 -0.432 0 C-N-CA 125.321 1.448 . . . . 0.0 113.002 -177.713 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . 0.44 1.9 tpp . . . . . 0 N--CA 1.473 0.718 0 CA-C-O 121.388 0.613 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -99.81 109.45 21.87 Favored 'General case' 0 N--CA 1.45 -0.458 0 N-CA-C 106.84 -1.541 . . . . 0.0 106.84 168.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . 0.426 HG21 ' N7 ' ' G' ' 12' ' ' ' A' . 4.3 mp -84.32 130.97 35.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.419 0 N-CA-C 108.893 -0.78 . . . . 0.0 108.893 175.722 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 83.3 mt -122.95 134.98 54.32 Favored 'General case' 0 N--CA 1.45 -0.439 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.419 170.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 40.5 p -84.12 138.0 33.25 Favored 'General case' 0 N--CA 1.453 -0.3 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 167.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.442 ' HD3' HG13 ' C' ' 12' ' ' ILE . 23.8 ttp180 -141.22 141.16 34.06 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-O 120.591 0.234 . . . . 0.0 110.676 179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.432 ' HE2' ' OP2' ' G' ' 4' ' ' ' C' . 19.5 ttpp -108.65 143.66 37.43 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.883 0.873 . . . . 0.0 108.848 -174.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 8.5 m -52.04 130.95 13.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 N-CA-C 112.835 0.68 . . . . 0.0 112.835 -168.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.98 -12.19 62.31 Favored Glycine 0 CA--C 1.529 0.963 0 C-N-CA 125.462 1.506 . . . . 0.0 114.351 -175.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 71.2 mm-40 -87.79 -179.1 6.2 Favored 'General case' 0 CA--C 1.534 0.346 0 CA-C-N 119.396 1.598 . . . . 0.0 112.581 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 60.1 m -145.37 159.73 42.61 Favored 'General case' 0 CA--C 1.529 0.144 0 N-CA-C 113.973 1.101 . . . . 0.0 113.973 -167.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.442 HG13 ' HD3' ' C' ' 6' ' ' ARG . 65.9 mt -135.2 159.8 40.86 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.079 0 C-N-CA 127.655 2.382 . . . . 0.0 108.3 177.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -129.28 146.53 51.16 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.434 1.094 . . . . 0.0 111.207 175.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -133.48 141.62 43.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.637 1.175 . . . . 0.0 109.098 178.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.54 -135.81 50.11 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -170.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -123.75 10.05 8.95 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.907 0.883 . . . . 0.0 111.151 169.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -131.17 -8.96 3.81 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 124.258 1.023 . . . . 0.0 113.51 -168.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.96 138.02 51.92 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 118.726 0.694 . . . . 0.0 110.95 -173.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 16.1 m -122.65 144.07 49.36 Favored 'General case' 0 N--CA 1.457 -0.121 0 C-N-CA 124.699 1.2 . . . . 0.0 109.303 169.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 13.8 mm -125.27 145.33 32.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.223 0 C-N-CA 125.094 1.358 . . . . 0.0 107.854 177.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 18.8 m -136.71 139.55 42.02 Favored 'General case' 0 N--CA 1.457 -0.076 0 CA-C-N 118.572 0.624 . . . . 0.0 110.882 -175.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 5.7 tp -91.83 110.02 22.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.215 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 169.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.44 HD12 ' HG2' ' C' ' 31' ' ' ARG . 5.6 mt -87.84 -36.75 17.05 Favored 'General case' 0 N--CA 1.453 -0.31 0 O-C-N 121.702 -0.623 . . . . 0.0 109.657 -172.659 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.92 175.06 39.24 Favored Glycine 0 C--N 1.336 0.578 0 C-N-CA 121.344 -0.455 . . . . 0.0 114.019 168.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.0 m -112.75 148.41 15.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 123.383 0.673 . . . . 0.0 110.435 169.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 22.8 m -146.13 105.95 3.99 Favored 'General case' 0 N--CA 1.453 -0.308 0 N-CA-C 106.54 -1.652 . . . . 0.0 106.54 168.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.23 -142.04 28.78 Favored Glycine 0 CA--C 1.523 0.572 0 C-N-CA 120.563 -0.827 . . . . 0.0 111.814 -168.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -84.41 2.95 38.26 Favored 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 124.542 1.137 . . . . 0.0 110.668 168.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -91.97 143.31 26.61 Favored 'General case' 0 N--CA 1.449 -0.491 0 C-N-CA 125.774 1.63 . . . . 0.0 110.38 -177.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -133.56 120.25 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.418 0 N-CA-C 108.75 -0.833 . . . . 0.0 108.75 -173.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.44 ' HG2' HD12 ' C' ' 23' ' ' LEU . 16.2 ttm180 -81.3 119.29 23.47 Favored 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 169.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.9 mt -117.3 130.33 72.38 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.241 0 C-N-CA 124.921 1.288 . . . . 0.0 110.112 -176.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.69 139.73 14.77 Favored Glycine 0 C--N 1.336 0.545 0 C-N-CA 125.643 1.592 . . . . 0.0 111.501 171.609 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 73.3 mt -131.34 137.69 54.91 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.268 0 N-CA-C 107.878 -1.156 . . . . 0.0 107.878 172.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -137.98 94.22 2.86 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -173.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -140.32 153.76 69.08 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 123.402 0.681 . . . . 0.0 110.803 -175.09 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -62.18 151.58 81.24 Favored 'Trans proline' 0 N--CA 1.452 -0.914 0 C-N-CA 122.936 2.424 . . . . 0.0 111.096 171.339 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.3 mmtp -64.3 -1.04 1.46 Allowed 'General case' 0 N--CA 1.457 -0.111 0 C-N-CA 123.554 0.741 . . . . 0.0 112.765 172.357 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -65.9 -22.94 66.54 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 111.502 169.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.2 m -123.05 146.09 28.91 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 C-N-CA 124.337 1.055 . . . . 0.0 110.25 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -89.12 154.84 19.84 Favored 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 122.886 0.474 . . . . 0.0 111.207 177.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.6 m -140.19 130.91 30.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 122.84 0.456 . . . . 0.0 110.255 173.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 33.8 m-70 -157.0 164.6 37.82 Favored 'General case' 0 C--N 1.337 0.035 0 N-CA-C 112.535 0.569 . . . . 0.0 112.535 179.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -69.82 150.78 46.48 Favored 'General case' 0 N--CA 1.455 -0.206 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 165.569 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 5.8 tm-20 -56.5 -38.16 71.4 Favored 'General case' 0 N--CA 1.456 -0.14 0 N-CA-C 113.908 1.077 . . . . 0.0 113.908 -167.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -74.53 -19.32 60.39 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.198 0.814 . . . . 0.0 113.198 -179.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 44.9 mm -92.74 -31.12 4.61 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 123.565 0.746 . . . . 0.0 110.82 174.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 15.1 t80 -52.54 -43.55 65.23 Favored 'General case' 0 N--CA 1.454 -0.246 0 O-C-N 121.621 -0.675 . . . . 0.0 111.454 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.6 mt-30 -62.23 -27.41 68.97 Favored 'General case' 0 N--CA 1.453 -0.283 0 C-N-CA 123.324 0.65 . . . . 0.0 112.703 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 43.5 ttm180 -69.07 -40.32 78.55 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.439 0.696 . . . . 0.0 111.446 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.5 mp -68.12 -19.41 24.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 C-N-CA 122.433 0.293 . . . . 0.0 110.357 176.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 91.3 mm-40 -96.32 2.12 52.53 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 124.014 0.925 . . . . 0.0 112.91 179.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -75.14 4.04 7.56 Favored 'General case' 0 N--CA 1.455 -0.216 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -172.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 119.49 33.1 1.14 Allowed Glycine 0 CA--C 1.523 0.565 0 C-N-CA 124.152 0.882 . . . . 0.0 112.812 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 64.1 mt -76.45 149.46 36.83 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 117.394 0.597 . . . . 0.0 111.222 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 8.9 t -153.35 -36.92 0.1 Allowed 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.922 0.889 . . . . 0.0 111.206 176.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . 0.639 ' H ' ' CD ' ' C' ' 58' ' ' PRO . . . -148.37 -33.66 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.276 0 C-N-CA 124.95 1.3 . . . . 0.0 112.816 171.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . 0.639 ' CD ' ' H ' ' C' ' 57' ' ' ALA . 23.7 Cg_exo -78.72 177.3 8.88 Favored 'Trans proline' 0 N--CA 1.453 -0.911 0 CA-C-N 121.016 1.398 . . . . 0.0 114.253 -175.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 . . . . . 0 N--CA 1.452 -0.338 0 C-N-CA 124.744 1.218 . . . . 0.0 112.97 -172.676 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 106.86 -1.533 . . . . 0.0 106.86 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.19 107.48 14.94 Favored 'General case' 0 N--CA 1.452 -0.357 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 167.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.98 140.27 22.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 124.496 1.118 . . . . 0.0 109.623 -176.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -156.91 162.0 39.65 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.519 0.728 . . . . 0.0 111.436 174.24 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.9 p -88.25 148.14 24.48 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-O 120.793 0.33 . . . . 0.0 111.407 173.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -138.1 137.67 37.96 Favored 'General case' 0 N--CA 1.451 -0.39 0 C-N-CA 123.73 0.812 . . . . 0.0 109.983 169.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -85.91 155.55 20.88 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 118.254 0.479 . . . . 0.0 110.159 169.352 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 m -55.09 135.75 17.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.533 174.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.35 -2.59 81.18 Favored Glycine 0 CA--C 1.527 0.836 0 C-N-CA 124.315 0.96 . . . . 0.0 114.182 179.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 57.5 mt-10 -98.71 175.92 5.81 Favored 'General case' 0 CA--C 1.53 0.178 0 CA-C-N 118.827 1.314 . . . . 0.0 111.931 178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.8 m -133.93 161.79 33.82 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.274 0.842 . . . . 0.0 113.274 -169.293 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 25.2 mt -141.83 157.25 20.64 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 C-N-CA 127.171 2.189 . . . . 0.0 108.306 -176.404 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 t-20 -128.13 148.78 50.6 Favored 'General case' 0 N--CA 1.457 -0.124 0 O-C-N 121.571 -0.705 . . . . 0.0 111.837 177.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 74.6 mt -133.96 135.19 55.27 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 125.103 1.361 . . . . 0.0 109.545 175.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 62.74 -132.86 44.0 Favored Glycine 0 CA--C 1.524 0.611 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 -178.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.9 m-20 -124.67 1.66 8.2 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 123.883 0.873 . . . . 0.0 111.79 173.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -134.44 -10.77 2.47 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 113.576 0.954 . . . . 0.0 113.576 -169.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -112.41 132.15 61.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 118.941 0.792 . . . . 0.0 110.36 -175.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 12.2 m -120.13 147.48 44.82 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.759 0.824 . . . . 0.0 109.753 173.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 30.3 mm -126.65 142.78 42.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.324 0 C-N-CA 125.284 1.434 . . . . 0.0 108.173 -178.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 13.3 m -138.42 128.44 25.5 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.36 102.93 12.4 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.289 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 173.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 29.6 mt -79.12 -29.77 43.4 Favored 'General case' 0 N--CA 1.454 -0.274 0 O-C-N 121.925 -0.484 . . . . 0.0 111.037 -169.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.17 -178.6 39.45 Favored Glycine 0 CA--C 1.523 0.576 0 C-N-CA 121.795 -0.241 . . . . 0.0 113.395 171.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 10.8 m -111.16 160.03 10.72 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.356 0.663 . . . . 0.0 111.394 170.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 49.6 m -143.73 73.25 1.38 Allowed 'General case' 0 N--CA 1.453 -0.292 0 C-N-CA 125.11 1.364 . . . . 0.0 108.626 169.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.27 -116.55 4.58 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.368 -0.693 . . . . 0.0 111.368 -174.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.1 tp60 -79.32 -22.91 43.89 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 124.996 1.318 . . . . 0.0 110.468 175.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 7.0 mm100 -82.99 155.69 23.83 Favored 'General case' 0 N--CA 1.451 -0.42 0 C-N-CA 124.552 1.141 . . . . 0.0 111.542 -178.282 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 16.6 t -142.28 122.93 11.34 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.195 0.998 . . . . 0.0 108.412 -176.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . 0.415 ' HD3' ' H62' ' G' ' 12' ' ' ' A' . 23.7 mtm180 -83.47 124.3 30.57 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 118.261 0.482 . . . . 0.0 109.884 170.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -129.78 119.83 48.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.272 0 C-N-CA 123.842 0.857 . . . . 0.0 109.491 -176.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.49 141.18 19.53 Favored Glycine 0 CA--C 1.523 0.531 0 C-N-CA 124.884 1.231 . . . . 0.0 110.766 171.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 4.6 mp -131.07 136.15 58.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 174.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -136.19 89.86 2.52 Favored 'General case' 0 N--CA 1.45 -0.433 0 C-N-CA 123.187 0.595 . . . . 0.0 109.755 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.82 156.51 71.2 Favored Pre-proline 0 N--CA 1.45 -0.437 0 C-N-CA 124.918 1.287 . . . . 0.0 109.422 -177.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.29 151.6 84.08 Favored 'Trans proline' 0 N--CA 1.45 -1.05 0 C-N-CA 121.916 1.744 . . . . 0.0 110.009 169.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -66.07 -0.86 2.66 Favored 'General case' 0 N--CA 1.457 -0.108 0 C-N-CA 123.031 0.532 . . . . 0.0 112.343 169.708 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -65.9 -23.9 66.73 Favored 'General case' 0 N--CA 1.453 -0.321 0 C-N-CA 124.92 1.288 . . . . 0.0 111.23 169.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 7.6 m -127.34 159.63 37.46 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 124.632 1.173 . . . . 0.0 110.63 177.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.42 157.07 16.18 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 122.952 0.501 . . . . 0.0 112.266 -178.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.6 127.85 6.71 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 122.955 0.502 . . . . 0.0 109.677 167.693 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -149.55 163.67 37.2 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.227 0.611 . . . . 0.0 111.677 175.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 mtm180 -63.48 158.46 20.82 Favored 'General case' 0 N--CA 1.457 -0.101 0 N-CA-C 109.846 -0.428 . . . . 0.0 109.846 168.613 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 16.4 tm-20 -63.06 -33.56 75.69 Favored 'General case' 0 N--CA 1.456 -0.161 0 CA-C-N 118.399 0.545 . . . . 0.0 112.153 -176.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -59.0 -52.63 64.95 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.532 0.605 . . . . 0.0 110.798 170.581 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.417 HG23 ' C6 ' ' G' ' 7' ' ' ' C' . 6.1 mm -66.85 -44.84 88.75 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.389 -0.823 . . . . 0.0 109.943 -173.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 54.0 t80 -48.96 -42.56 37.97 Favored 'General case' 0 N--CA 1.448 -0.556 0 C-N-CA 124.671 1.188 . . . . 0.0 111.788 -175.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -57.76 -26.48 61.91 Favored 'General case' 0 N--CA 1.452 -0.343 0 C-N-CA 123.822 0.849 . . . . 0.0 112.926 -177.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -75.81 -33.36 60.1 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 124.713 1.205 . . . . 0.0 110.841 -178.488 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.663 ' N ' HD12 ' D' ' 51' ' ' ILE . 2.0 mp -83.02 -18.72 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 126.924 2.09 . . . . 0.0 109.851 178.334 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 46.7 mm-40 -99.11 -14.43 19.38 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 174.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.43 2.06 54.38 Favored 'General case' 0 CA--C 1.53 0.181 0 N-CA-C 115.137 1.532 . . . . 0.0 115.137 -169.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 126.97 -1.88 7.3 Favored Glycine 0 CA--C 1.526 0.765 0 CA-C-N 118.726 0.694 . . . . 0.0 112.81 -170.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 79.57 138.35 0.07 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 127.825 2.45 . . . . 0.0 112.291 167.694 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 4.9 m -130.17 -5.5 4.38 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-N 114.371 -1.286 . . . . 0.0 112.463 -167.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.48 136.03 16.35 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 124.216 1.007 . . . . 0.0 108.386 167.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_exo -64.73 -179.52 0.99 Allowed 'Trans proline' 0 N--CA 1.453 -0.889 0 C-N-CA 122.906 2.404 . . . . 0.0 113.107 176.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 N--CA 1.456 -0.149 0 C-N-CA 124.1 0.96 . . . . 0.0 112.822 178.33 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 12.3 ptm . . . . . 0 N--CA 1.475 0.797 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 tt -104.99 140.03 38.79 Favored 'General case' 0 N--CA 1.454 -0.234 0 C-N-CA 125.511 1.524 . . . . 0.0 109.337 177.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -125.1 139.54 50.84 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.148 0 C-N-CA 123.866 0.866 . . . . 0.0 109.887 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 66.6 mt -134.09 165.03 26.02 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 125.579 1.552 . . . . 0.0 110.657 178.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -129.36 99.76 5.33 Favored 'General case' 0 N--CA 1.456 -0.168 0 N-CA-C 108.925 -0.768 . . . . 0.0 108.925 168.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -104.99 129.88 53.33 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 125.124 1.369 . . . . 0.0 111.871 -169.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 46.8 mttt -80.07 155.12 27.7 Favored 'General case' 0 N--CA 1.453 -0.318 0 CA-C-O 120.779 0.323 . . . . 0.0 111.307 174.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 28.6 m -59.71 137.08 22.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 CA-C-O 120.96 0.41 . . . . 0.0 111.498 179.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.99 -4.11 83.01 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 119.157 -0.801 . . . . 0.0 114.319 -178.156 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -94.44 178.42 5.62 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 118.901 1.35 . . . . 0.0 111.489 175.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 55.0 m -138.43 156.83 47.21 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -169.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.8 mt -136.12 157.6 38.03 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.152 0 C-N-CA 126.534 1.934 . . . . 0.0 108.114 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -136.43 149.78 48.42 Favored 'General case' 0 N--CA 1.455 -0.21 0 O-C-N 121.489 -0.757 . . . . 0.0 112.909 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 46.2 mt -137.52 138.72 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.677 1.191 . . . . 0.0 109.075 -179.047 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.66 -138.14 49.58 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 111.586 -0.606 . . . . 0.0 111.586 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -126.0 10.01 7.54 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 124.072 0.949 . . . . 0.0 112.446 173.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.26 -11.48 4.12 Favored 'General case' 0 CA--C 1.528 0.106 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -113.62 135.17 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 119.247 0.93 . . . . 0.0 111.194 -169.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 36.7 m -127.04 143.64 51.23 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.353 1.061 . . . . 0.0 110.229 174.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 24.2 mm -121.23 136.38 58.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.287 0 C-N-CA 125.358 1.463 . . . . 0.0 108.189 175.454 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 23.4 m -132.5 123.56 26.83 Favored 'General case' 0 N--CA 1.454 -0.226 0 C-N-CA 123.246 0.618 . . . . 0.0 109.823 179.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -80.97 102.37 6.76 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 N-CA-C 108.955 -0.758 . . . . 0.0 108.955 175.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 13.6 mt -70.5 -31.75 68.98 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 122.552 0.341 . . . . 0.0 110.69 -176.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 153.68 -169.69 32.36 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 123.386 0.517 . . . . 0.0 113.241 170.015 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 4.3 m -126.76 160.26 35.26 Favored 'Isoleucine or valine' 0 C--N 1.338 0.082 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -176.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 17.6 m -149.98 98.1 2.67 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 125.592 1.557 . . . . 0.0 108.95 169.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.89 -119.82 8.37 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 111.448 -0.661 . . . . 0.0 111.448 -173.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -91.4 -12.09 35.81 Favored 'General case' 0 N--CA 1.456 -0.144 0 CA-C-N 117.548 0.674 . . . . 0.0 111.416 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 78.4 mt-30 -83.32 141.0 32.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-O 121.822 0.82 . . . . 0.0 110.697 -178.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.9 t -135.09 109.65 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.456 0 N-CA-C 106.485 -1.672 . . . . 0.0 106.485 -168.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 32.3 ttm180 -89.16 122.04 32.07 Favored 'General case' 0 N--CA 1.452 -0.361 0 N-CA-C 109.743 -0.465 . . . . 0.0 109.743 -178.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 1.4 mt -128.07 126.39 66.23 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 124.158 0.983 . . . . 0.0 110.098 -169.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.57 139.97 17.71 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 124.075 0.845 . . . . 0.0 111.027 169.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 53.2 mt -130.88 124.79 57.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.292 0 C-N-CA 124.781 1.232 . . . . 0.0 108.555 179.101 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 49.7 t-20 -127.77 99.02 5.38 Favored 'General case' 0 N--CA 1.449 -0.496 0 N-CA-C 109.736 -0.468 . . . . 0.0 109.736 -169.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.5 155.89 71.67 Favored Pre-proline 0 N--CA 1.453 -0.297 0 C-N-CA 124.648 1.179 . . . . 0.0 110.6 177.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -62.72 159.23 38.17 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 122.972 2.448 . . . . 0.0 112.088 171.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -68.74 -0.9 5.9 Favored 'General case' 0 N--CA 1.457 -0.094 0 C-N-CA 123.429 0.691 . . . . 0.0 112.687 169.653 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -64.9 -24.01 67.4 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.839 1.255 . . . . 0.0 111.544 169.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.5 m -121.08 156.04 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.24 0 C-N-CA 124.216 1.006 . . . . 0.0 110.766 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.58 154.4 20.36 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.648 173.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.12 126.01 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 122.873 0.469 . . . . 0.0 110.171 168.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -149.49 165.76 31.19 Favored 'General case' 0 N--CA 1.456 -0.146 0 C-N-CA 124.24 1.016 . . . . 0.0 109.838 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 37.1 ptt85 -77.47 161.65 27.78 Favored 'General case' 0 N--CA 1.454 -0.259 0 O-C-N 121.678 -0.639 . . . . 0.0 109.835 169.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 8.5 tm-20 -58.91 -22.35 59.53 Favored 'General case' 0 N--CA 1.456 -0.128 0 N-CA-C 112.837 0.68 . . . . 0.0 112.837 -169.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -65.19 -51.39 61.36 Favored 'General case' 0 N--CA 1.453 -0.322 0 C-N-CA 124.004 0.922 . . . . 0.0 111.41 175.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -74.39 -32.74 31.6 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.281 0 C-N-CA 123.668 0.787 . . . . 0.0 109.582 -175.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . 0.403 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 71.0 t80 -55.96 -36.17 67.52 Favored 'General case' 0 N--CA 1.45 -0.426 0 C-N-CA 123.193 0.597 . . . . 0.0 112.607 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -67.89 -28.69 67.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 O-C-N 121.845 -0.534 . . . . 0.0 112.325 -179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -71.66 -23.67 61.71 Favored 'General case' 0 N--CA 1.456 -0.127 0 C-N-CA 123.112 0.565 . . . . 0.0 110.361 176.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.579 ' C ' HD11 ' E' ' 55' ' ' LEU . 63.9 mt -99.16 -27.15 3.62 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 125.73 1.612 . . . . 0.0 112.288 -173.068 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . 0.403 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 74.2 mm-40 -85.06 3.03 40.64 Favored 'General case' 0 N--CA 1.453 -0.294 0 N-CA-C 114.602 1.334 . . . . 0.0 114.602 175.049 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.68 -0.62 16.05 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 114.063 1.134 . . . . 0.0 114.063 175.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . 0.62 ' N ' HD13 ' E' ' 55' ' ' LEU . . . 80.55 99.79 0.33 Allowed Glycine 0 CA--C 1.526 0.742 0 C-N-CA 125.221 1.391 . . . . 0.0 114.961 -169.309 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.62 HD13 ' N ' ' E' ' 54' ' ' GLY . 0.0 OUTLIER -170.74 -6.82 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.251 0 N-CA-C 114.43 1.271 . . . . 0.0 114.43 -168.477 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . 0.5 ' N ' HD22 ' E' ' 55' ' ' LEU . 7.3 p -61.99 145.66 52.37 Favored 'General case' 0 N--CA 1.456 -0.171 0 CA-C-N 119.136 0.88 . . . . 0.0 111.204 -164.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . 48.9 70.17 2.25 Favored Pre-proline 0 N--CA 1.454 -0.242 0 C-N-CA 124.123 0.969 . . . . 0.0 110.844 -168.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 70.6 Cg_exo -51.56 -45.56 37.02 Favored 'Trans proline' 0 N--CA 1.453 -0.879 0 C-N-CA 124.157 3.238 . . . . 0.0 114.716 -168.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 22.4 t70 . . . . . 0 N--CA 1.453 -0.308 0 C-N-CA 122.976 0.51 . . . . 0.0 111.292 -169.018 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.8 tpt . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 111.468 0.173 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.8 mt -97.56 150.36 21.2 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.874 0.47 . . . . 0.0 111.452 172.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.5 mp -127.47 121.96 58.32 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 N-CA-C 108.783 -0.821 . . . . 0.0 108.783 169.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -114.46 150.2 35.14 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.642 1.577 . . . . 0.0 108.875 178.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 2.0 m -122.43 101.09 7.29 Favored 'General case' 0 N--CA 1.457 -0.095 0 CA-C-O 121.318 0.58 . . . . 0.0 110.344 169.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 3.0 tpm_? -104.97 144.56 31.64 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 125.399 1.479 . . . . 0.0 109.367 -173.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 19.4 ptpt -107.29 164.33 12.27 Favored 'General case' 0 CA--C 1.521 -0.148 0 CA-C-N 119.867 1.212 . . . . 0.0 113.485 169.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 11.2 m -53.89 134.85 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.925 -169.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.28 -11.0 69.41 Favored Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.356 0.979 . . . . 0.0 114.122 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -97.26 176.96 5.72 Favored 'General case' 0 N--CA 1.456 -0.165 0 CA-C-N 118.759 1.28 . . . . 0.0 112.33 -178.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 59.4 m -136.09 161.25 36.22 Favored 'General case' 0 N--CA 1.457 -0.121 0 N-CA-C 113.636 0.976 . . . . 0.0 113.636 -169.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 71.1 mt -136.49 156.7 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 127.114 2.166 . . . . 0.0 107.982 174.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -131.75 151.45 51.64 Favored 'General case' 0 N--CA 1.455 -0.181 0 O-C-N 121.328 -0.858 . . . . 0.0 112.639 -177.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 38.8 mt -135.63 141.22 42.81 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.64 1.176 . . . . 0.0 109.053 179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.62 -137.25 49.92 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 111.513 -0.635 . . . . 0.0 111.513 -175.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -121.63 10.08 10.3 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 124.391 1.076 . . . . 0.0 111.352 173.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -138.65 -17.46 1.11 Allowed 'General case' 0 N--CA 1.455 -0.176 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 -169.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.7 mp -105.12 137.77 33.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 CA-C-N 119.119 0.872 . . . . 0.0 110.717 -171.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 28.4 m -126.29 141.03 52.07 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.212 1.005 . . . . 0.0 110.361 175.317 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 25.4 mm -118.17 139.87 43.71 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 125.548 1.539 . . . . 0.0 107.931 171.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 27.2 m -136.35 127.92 28.76 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.147 0.579 . . . . 0.0 109.779 178.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -82.89 108.11 15.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.693 -0.854 . . . . 0.0 108.693 171.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 15.1 mt -78.75 -29.98 45.5 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 122.83 0.452 . . . . 0.0 110.89 -174.696 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.61 -170.44 34.64 Favored Glycine 0 CA--C 1.525 0.703 0 C-N-CA 123.262 0.458 . . . . 0.0 113.029 169.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.3 m -122.16 151.11 25.77 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.112 0 C-N-CA 123.139 0.576 . . . . 0.0 112.033 179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.7 m -139.9 90.03 2.35 Favored 'General case' 0 N--CA 1.453 -0.291 0 C-N-CA 125.317 1.447 . . . . 0.0 108.768 170.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.83 -125.07 29.94 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.661 -0.575 . . . . 0.0 111.661 -173.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 8.7 mm100 -80.11 -15.57 56.83 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.05 142.09 31.56 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-O 121.458 0.647 . . . . 0.0 110.327 177.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 62.5 t -128.74 117.06 43.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.493 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 -174.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 51.7 ttm-85 -85.93 117.86 25.04 Favored 'General case' 0 N--CA 1.451 -0.388 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 -176.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -125.18 133.97 68.04 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.861 0.864 . . . . 0.0 109.791 -169.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.82 141.47 15.41 Favored Glycine 0 CA--C 1.524 0.655 0 C-N-CA 124.153 0.883 . . . . 0.0 111.308 172.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.3 mp -130.05 137.64 55.98 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 C-N-CA 124.317 1.047 . . . . 0.0 109.597 176.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.2 t30 -131.65 106.44 8.16 Favored 'General case' 0 N--CA 1.45 -0.466 0 C-N-CA 124.129 0.972 . . . . 0.0 109.605 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.31 158.15 75.19 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 123.798 0.839 . . . . 0.0 111.472 177.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 20.9 Cg_endo -64.19 162.63 29.07 Favored 'Trans proline' 0 N--CA 1.451 -1.004 0 C-N-CA 122.953 2.435 . . . . 0.0 112.338 173.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -67.82 -4.9 14.06 Favored 'General case' 0 N--CA 1.456 -0.152 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 169.146 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -65.48 -23.62 66.95 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.236 1.414 . . . . 0.0 112.153 173.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 10.9 m -129.17 164.8 30.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 C-N-CA 124.404 1.082 . . . . 0.0 111.007 -174.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.74 161.51 14.3 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.308 0.643 . . . . 0.0 111.399 170.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.4 p -154.96 122.57 0.62 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.172 0 C-N-CA 123.404 0.682 . . . . 0.0 110.37 170.31 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -152.6 173.53 15.08 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.168 0.987 . . . . 0.0 110.252 176.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -78.29 163.74 25.47 Favored 'General case' 0 N--CA 1.455 -0.19 0 O-C-N 121.792 -0.568 . . . . 0.0 109.96 169.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 9.6 tm-20 -60.73 -29.96 69.68 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 122.854 0.461 . . . . 0.0 112.205 -171.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.68 -44.61 77.49 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.021 0.928 . . . . 0.0 111.615 174.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -89.17 -30.67 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.37 0 C-N-CA 123.602 0.761 . . . . 0.0 110.298 -170.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 82.5 t80 -49.85 -35.35 22.9 Favored 'General case' 0 N--CA 1.454 -0.241 0 C-N-CA 124.222 1.009 . . . . 0.0 112.714 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 65.9 mt-30 -59.95 -22.0 61.91 Favored 'General case' 0 N--CA 1.452 -0.326 0 C-N-CA 124.05 0.94 . . . . 0.0 112.694 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -72.91 -47.77 42.86 Favored 'General case' 0 N--CA 1.455 -0.212 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 174.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.502 ' N ' HD12 ' F' ' 51' ' ' ILE . 1.9 mp -64.19 -23.07 32.53 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 125.456 1.502 . . . . 0.0 110.554 -178.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -85.22 -41.33 15.71 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 115.589 1.7 . . . . 0.0 115.589 169.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.77 -32.01 8.15 Favored 'General case' 0 CA--C 1.529 0.167 0 N-CA-C 116.223 1.934 . . . . 0.0 116.223 -166.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -126.41 -21.38 1.83 Allowed Glycine 0 CA--C 1.526 0.775 0 C-N-CA 124.118 0.865 . . . . 0.0 113.015 -169.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.413 HD13 ' N ' ' F' ' 55' ' ' LEU . 0.2 OUTLIER 61.35 -176.6 0.12 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 127.914 2.485 . . . . 0.0 112.987 169.756 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 37.8 p -87.09 -8.78 56.71 Favored 'General case' 0 N--CA 1.454 -0.242 0 CA-C-N 115.864 -0.607 . . . . 0.0 112.626 -178.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -133.06 131.48 21.86 Favored Pre-proline 0 N--CA 1.453 -0.314 0 C-N-CA 124.153 0.981 . . . . 0.0 109.889 170.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -54.76 -40.87 82.73 Favored 'Trans proline' 0 N--CA 1.453 -0.868 0 C-N-CA 123.719 2.946 . . . . 0.0 113.474 174.072 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 19.3 t0 . . . . . 0 N--CA 1.45 -0.426 0 C-N-CA 123.108 0.563 . . . . 0.0 110.565 -169.061 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 O4'-C1'-N19 112.002 3.802 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.13 0 O4'-C1'-N19 112.179 3.979 . 0.372 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 O4'-C1'-N19 112.915 4.715 . 0.287 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . 0.432 ' OP2' ' HE2' ' C' ' 7' ' ' LYS . . . . . . . . 0 O4'--C4' 1.416 -3.088 0 C5'-C4'-O4' 113.959 3.399 . 0.203 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 O4'-C1'-N19 111.195 2.995 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C5'-C4'-O4' 113.987 3.42 . 0.03 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.482 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.976 1 C5'-C4'-C3' 108.68 -4.547 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.257 0 C3'-C2'-C1' 104.091 2.879 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 0 P-O3'-C3' 122.553 2.378 . 0.017 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 C3'-C2'-C1' 105.516 4.462 . 0.029 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 1 O4'-C1'-N19 112.218 4.018 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.45 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.416 -3.095 0 O4'-C4'-C3' 108.432 2.094 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 C5'-C4'-C3' 110.69 -3.207 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 C4'-C3'-C2' 99.985 -2.715 . 0.844 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.219 0 O4'-C1'-N19 111.64 3.44 . 0.843 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.658 3.458 . 0.395 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.02 0 O4'-C1'-N19 112.125 3.925 . 0.628 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 1 O4'-C1'-N19 112.462 4.262 . 0.195 4n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.093 0 C4'-C3'-C2' 99.883 -2.817 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 O4'-C1'-N19 111.922 3.722 . 0.613 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.214 1 O4'-C1'-N19 112.367 4.167 . 0.653 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.114 0 O4'-C1'-N19 110.797 2.597 . 0.27 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 2 O4'-C1'-N19 112.498 4.298 . 0.619 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 O4'-C1'-N19 112.143 3.943 . 0.416 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.174 0 N19-C1'-C2' 108.765 -2.897 . 0.727 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.964 0 O4'-C1'-N19 111.269 3.069 . 0.369 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.169 0 C5'-C4'-C3' 111.607 -2.595 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.361 0 C5'-C4'-C3' 112.05 -2.3 . 0.047 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.251 0 C5'-C4'-C3' 111.598 -2.601 OUTLIER-DELTA 0.016 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 O4'-C1'-N19 111.614 3.414 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 C4'-C3'-C2' 99.588 -3.112 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.129 0 O4'-C1'-N19 111.237 3.037 . 0.513 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 1 O4'-C1'-N19 112.479 4.279 . 0.848 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.737 3.537 . 0.436 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.045 0 C4'-C3'-C2' 99.832 -2.868 . 0.329 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.238 0 O4'-C1'-N19 111.459 3.259 . 0.686 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.358 1 O4'-C1'-N19 112.417 4.217 . 0.391 1t . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.082 0 C5'-C4'-C3' 110.344 -3.437 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.264 0 C3'-C2'-C1' 104.301 3.112 . 0.269 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.24 1 O4'-C1'-N19 113.039 4.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.37 1 C5'-C4'-C3' 108.577 -4.616 . 0.019 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.284 0 O4'-C1'-N19 112.154 3.954 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.232 1 O4'-C1'-N19 114.019 5.819 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 1 O4'-C1'-N19 112.3 4.1 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.125 1 O4'-C1'-N19 112.586 4.386 . 0.319 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C4'-C3'-C2' 99.557 -3.143 . 0.162 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.984 2 O4'-C1'-N19 112.861 4.661 . 0.073 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.462 1 C3'-C2'-C1' 105.694 4.66 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.229 0 O4'-C1'-N19 110.543 2.343 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 0 O4'-C1'-N19 111.265 3.065 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 0 C5'-C4'-C3' 111.714 -2.524 . 0.423 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.4 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.374 1 O5'-C5'-C4' 116.793 4.709 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C5'-C4'-C3' 111.541 -2.639 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 1 O4'-C1'-N19 112.42 4.22 . 0.689 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.048 0 C4'-C3'-C2' 100.582 -2.118 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 O4'-C1'-N19 110.772 2.572 . 0.571 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 112.062 3.862 . 0.139 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 O4'-C1'-N19 111.957 3.757 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.127 0 O4'-C1'-N19 112.182 3.982 . 0.102 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.207 0 O4'-C1'-N19 111.537 3.337 . 0.198 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 O4'-C1'-N19 111.551 3.351 . 0.549 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C5'-C4'-C3' 110.93 -3.047 . 0.514 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.411 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.412 -3.416 0 C3'-C2'-C1' 104.803 3.669 . 0.609 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.411 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 C5'-C4'-C3' 111.145 -2.903 . 0.303 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 C3'-C2'-C1' 103.709 2.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 C5'-C4'-C3' 112.189 -2.208 . 0.147 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 2 C5'-C4'-C3' 104.746 -7.17 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 1 P-O3'-C3' 125.543 4.869 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.028 0 C5'-C4'-C3' 111.437 -2.709 . 0.853 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 1 O4'-C1'-N19 112.386 4.186 . 0.774 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.165 0 O4'-C1'-N19 110.984 2.784 . 0.565 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O4'-C1'-N19 111.125 2.925 . 0.903 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.3 ttp . . . . . 0 N--CA 1.473 0.725 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -95.18 108.76 20.91 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 123.696 0.798 . . . . 0.0 109.979 -175.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -92.12 135.03 28.44 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 178.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 72.6 mt -129.54 157.58 41.64 Favored 'General case' 0 N--CA 1.453 -0.315 0 C-N-CA 123.845 0.858 . . . . 0.0 109.748 172.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 85.7 m -119.12 100.98 7.68 Favored 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.56 ' HG2' HD11 ' B' ' 32' ' ' ILE . 0.7 OUTLIER -117.96 143.26 46.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.868 0.867 . . . . 0.0 110.622 -168.118 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.9 mttt -108.45 160.34 15.97 Favored 'General case' 0 N--CA 1.456 -0.16 0 O-C-N 121.88 -0.512 . . . . 0.0 110.631 -170.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 77.6 t -47.73 126.02 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 123.324 0.649 . . . . 0.0 110.555 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.23 -5.91 78.3 Favored Glycine 0 CA--C 1.529 0.917 0 C-N-CA 124.511 1.053 . . . . 0.0 114.921 -177.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 46.5 tt0 -80.3 159.69 25.74 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 118.926 1.363 . . . . 0.0 111.249 178.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.5 m -134.3 133.15 40.41 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.485 0.714 . . . . 0.0 112.313 -176.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.51 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 6.1 mm -102.18 155.75 4.89 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.11 0 C-N-CA 124.676 1.19 . . . . 0.0 109.922 173.412 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -132.33 135.22 46.04 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.098 0.959 . . . . 0.0 110.846 179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 24.8 mt -136.72 124.57 33.47 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 124.15 0.98 . . . . 0.0 110.892 -170.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 55.89 -121.47 23.51 Favored Glycine 0 CA--C 1.527 0.79 0 N-CA-C 115.977 1.151 . . . . 0.0 115.977 166.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -80.53 0.9 31.77 Favored 'General case' 0 N--CA 1.454 -0.228 0 N-CA-C 116.435 2.013 . . . . 0.0 116.435 -165.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 147.0 7.28 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.193 0 C-N-CA 128.419 2.688 . . . . 0.0 112.17 168.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.473 ' H ' HD12 ' A' ' 18' ' ' ILE . 5.1 mp -69.95 129.02 34.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.256 0 O-C-N 120.859 -1.151 . . . . 0.0 109.379 -176.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 m -123.37 135.0 53.94 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.23 0.612 . . . . 0.0 109.913 177.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 16.9 mm -122.59 119.91 59.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 123.754 0.822 . . . . 0.0 109.229 -171.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 34.9 m -116.19 133.2 56.28 Favored 'General case' 0 N--CA 1.457 -0.122 0 CA-C-N 118.797 0.726 . . . . 0.0 110.574 -177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.9 tp -83.92 105.62 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 N-CA-C 108.291 -1.003 . . . . 0.0 108.291 169.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -74.13 -27.42 60.85 Favored 'General case' 0 N--CA 1.453 -0.291 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 -177.496 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.0 -167.99 38.28 Favored Glycine 0 CA--C 1.524 0.638 0 C-N-CA 122.779 0.228 . . . . 0.0 113.249 168.216 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 22.4 m -127.35 154.18 37.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.134 0 C-N-CA 123.892 0.877 . . . . 0.0 111.399 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -133.99 73.2 1.49 Allowed 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.511 1.124 . . . . 0.0 109.466 177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 73.25 -120.31 7.07 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -83.66 6.47 20.77 Favored 'General case' 0 N--CA 1.454 -0.235 0 C-N-CA 123.124 0.57 . . . . 0.0 111.989 175.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 56.9 mt-30 -98.82 158.43 15.63 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 121.909 0.861 . . . . 0.0 111.29 173.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 63.2 t -142.05 107.99 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 C-N-CA 125.834 1.654 . . . . 0.0 108.319 -168.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 62.4 ttt180 -94.89 101.9 13.71 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 123.206 0.602 . . . . 0.0 110.096 -174.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 40.8 mt -106.99 134.54 48.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.254 0 C-N-CA 125.212 1.405 . . . . 0.0 110.209 -174.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.4 134.64 12.17 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 4.4 mp -108.25 128.49 63.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 125.114 1.366 . . . . 0.0 108.448 176.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -117.59 74.91 0.96 Allowed 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.23 1.012 . . . . 0.0 109.414 177.527 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -104.58 152.41 39.4 Favored Pre-proline 0 N--CA 1.452 -0.325 0 C-N-CA 125.09 1.356 . . . . 0.0 110.693 174.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -71.32 153.07 61.62 Favored 'Trans proline' 0 N--CA 1.45 -1.075 0 C-N-CA 122.503 2.135 . . . . 0.0 110.242 174.019 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 34.4 mtpt -70.02 -2.31 12.33 Favored 'General case' 0 N--CA 1.456 -0.166 0 N-CA-C 112.772 0.656 . . . . 0.0 112.772 -178.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -69.69 -24.97 63.66 Favored 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 123.859 0.864 . . . . 0.0 111.903 169.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.6 m -114.9 144.07 23.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 CA-C-O 121.964 0.887 . . . . 0.0 111.709 173.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.02 143.1 29.99 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.918 0.887 . . . . 0.0 110.622 178.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 19.6 m -131.93 128.69 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 122.767 0.427 . . . . 0.0 110.148 173.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.449 ' CD2' HD11 ' A' ' 51' ' ' ILE . 99.1 m-70 -151.7 156.81 41.09 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.729 0.812 . . . . 0.0 110.524 -173.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -86.08 162.48 18.41 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 118.024 0.375 . . . . 0.0 111.923 170.487 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -65.67 -32.0 73.33 Favored 'General case' 0 N--CA 1.455 -0.196 0 C-N-CA 123.54 0.736 . . . . 0.0 112.429 -172.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -53.41 -25.94 17.82 Favored 'General case' 0 N--CA 1.455 -0.197 0 C-N-CA 124.612 1.165 . . . . 0.0 112.665 170.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 2.0 mt -116.92 -24.74 3.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 124.573 1.149 . . . . 0.0 110.921 -169.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 48.0 t80 -61.43 -31.53 71.47 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 118.792 0.723 . . . . 0.0 110.817 179.268 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -73.28 -15.74 61.4 Favored 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 123.777 0.831 . . . . 0.0 111.815 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.8 -34.93 33.69 Favored 'General case' 0 N--CA 1.456 -0.166 0 C-N-CA 124.207 1.003 . . . . 0.0 110.879 169.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.601 HG22 HE21 ' A' ' 52' ' ' GLN . 38.5 mt -62.14 -52.44 60.26 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 123.813 0.845 . . . . 0.0 109.035 175.315 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.601 HE21 HG22 ' A' ' 51' ' ' ILE . 79.0 mm-40 -84.04 5.1 27.15 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.695 0.798 . . . . 0.0 112.67 -174.3 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.36 -35.75 81.91 Favored 'General case' 0 N--CA 1.452 -0.372 0 C-N-CA 123.026 0.53 . . . . 0.0 111.848 174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.28 30.08 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 CA-C-O 119.955 -0.358 . . . . 0.0 113.047 178.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 51' ' ' ILE . 14.1 mt -111.88 -174.85 2.55 Favored 'General case' 0 N--CA 1.451 -0.41 0 C-N-CA 124.761 1.225 . . . . 0.0 108.041 177.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.8 p 58.43 5.4 0.44 Allowed 'General case' 0 CA--C 1.528 0.106 0 C-N-CA 126.093 1.757 . . . . 0.0 115.275 176.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -116.09 160.52 35.2 Favored Pre-proline 0 N--CA 1.453 -0.307 0 C-N-CA 125.732 1.613 . . . . 0.0 110.623 173.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -68.64 -30.13 28.7 Favored 'Trans proline' 0 N--CA 1.453 -0.909 0 C-N-CA 122.792 2.328 . . . . 0.0 112.275 173.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.369 0 C-N-CA 123.108 0.563 . . . . 0.0 111.428 -173.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 30.1 tpp . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 119.568 -0.253 . . . . 0.0 110.668 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -110.7 120.2 41.61 Favored 'General case' 0 N--CA 1.454 -0.233 0 N-CA-C 107.477 -1.305 . . . . 0.0 107.477 168.773 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.415 HD11 " H5'" ' G' ' 52' ' ' ' A' . 63.7 mt -115.62 140.03 39.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 CA-C-O 121.017 0.437 . . . . 0.0 112.105 -165.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 81.9 mt -133.93 127.76 33.12 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 124.884 1.274 . . . . 0.0 110.236 -179.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 63.4 m -89.8 101.54 14.24 Favored 'General case' 0 N--CA 1.453 -0.32 0 N-CA-C 108.341 -0.985 . . . . 0.0 108.341 169.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.9 172.94 7.7 Favored 'General case' 0 N--CA 1.453 -0.317 0 C-N-CA 125.242 1.417 . . . . 0.0 109.77 -176.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 23.7 tttm -145.41 158.05 43.91 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.293 1.037 . . . . 0.0 108.777 167.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 4.1 m -55.38 133.8 19.01 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -168.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.45 -9.18 64.66 Favored Glycine 0 CA--C 1.527 0.79 0 CA-C-N 114.866 -1.061 . . . . 0.0 114.512 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 52.6 mt-10 -83.77 171.2 13.38 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.825 1.312 . . . . 0.0 111.846 174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 43.4 m -135.51 157.6 46.48 Favored 'General case' 0 N--CA 1.455 -0.202 0 C-N-CA 123.81 0.844 . . . . 0.0 112.163 -177.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 34.0 mt -131.88 157.48 43.14 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 125.606 1.562 . . . . 0.0 109.2 178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -136.58 138.87 41.69 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.88 0.872 . . . . 0.0 110.68 -173.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 64.6 mt -133.71 129.61 55.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.257 1.023 . . . . 0.0 109.639 -176.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.94 -135.69 51.8 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.112 -0.795 . . . . 0.0 111.112 -174.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -120.51 0.52 10.51 Favored 'General case' 0 N--CA 1.454 -0.252 0 C-N-CA 123.64 0.776 . . . . 0.0 112.212 173.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -119.26 -17.01 8.97 Favored 'General case' 0 N--CA 1.456 -0.158 0 N-CA-C 113.135 0.791 . . . . 0.0 113.135 -170.261 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -117.85 135.28 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 CA-C-N 118.774 0.716 . . . . 0.0 110.856 -172.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 19.2 m -130.45 149.13 52.26 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.77 1.228 . . . . 0.0 109.731 170.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 20.5 mm -126.81 145.45 34.36 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 C-N-CA 125.762 1.625 . . . . 0.0 108.256 -179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 28.0 m -134.89 129.56 34.56 Favored 'General case' 0 N--CA 1.455 -0.184 0 C-N-CA 123.07 0.548 . . . . 0.0 110.12 173.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . 0.725 ' HA ' HG22 ' B' ' 32' ' ' ILE . 1.2 tp -85.45 98.61 6.59 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 174.124 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 28.1 mt -69.92 -31.27 68.96 Favored 'General case' 0 N--CA 1.454 -0.244 0 O-C-N 122.088 -0.383 . . . . 0.0 111.156 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.4 177.34 31.4 Favored Glycine 0 CA--C 1.524 0.617 0 C-N-CA 123.567 0.603 . . . . 0.0 112.885 175.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -111.33 152.38 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 C-N-CA 122.951 0.501 . . . . 0.0 110.842 176.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 73.3 m -130.65 78.52 1.85 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.656 1.183 . . . . 0.0 108.895 170.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.17 -119.43 5.03 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 -174.57 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -96.67 8.83 43.3 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 123.387 0.675 . . . . 0.0 110.821 174.411 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -98.93 151.97 20.29 Favored 'General case' 0 N--CA 1.447 -0.602 0 C-N-CA 123.674 0.789 . . . . 0.0 110.198 172.373 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 47.7 t -135.94 109.1 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 C-N-CA 123.702 0.801 . . . . 0.0 108.94 -169.41 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -83.75 116.75 22.84 Favored 'General case' 0 N--CA 1.454 -0.227 0 C-N-CA 124.317 1.047 . . . . 0.0 109.175 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.725 HG22 ' HA ' ' B' ' 22' ' ' ILE . 5.7 pt -134.89 141.88 41.83 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 123.257 0.623 . . . . 0.0 111.403 -177.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -100.18 141.76 15.58 Favored Glycine 0 CA--C 1.523 0.535 0 C-N-CA 124.123 0.868 . . . . 0.0 111.539 173.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 49.4 mt -119.53 131.55 71.79 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 C-N-CA 124.036 0.935 . . . . 0.0 108.933 176.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.4 t-20 -131.1 75.7 1.67 Allowed 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 114.733 -1.121 . . . . 0.0 109.532 -167.66 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -121.72 157.48 56.93 Favored Pre-proline 0 N--CA 1.45 -0.429 0 CA-C-N 113.877 -1.51 . . . . 0.0 109.673 175.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -59.18 154.88 43.09 Favored 'Trans proline' 0 N--CA 1.448 -1.154 0 C-N-CA 121.904 1.736 . . . . 0.0 110.884 169.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? -66.6 -0.75 3.04 Favored 'General case' 0 N--CA 1.455 -0.192 0 C-N-CA 123.43 0.692 . . . . 0.0 112.274 169.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -65.9 -27.4 68.17 Favored 'General case' 0 N--CA 1.453 -0.301 0 C-N-CA 125.163 1.385 . . . . 0.0 111.431 172.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 11.5 m -108.81 144.06 17.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.513 1.125 . . . . 0.0 110.303 177.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.41 142.06 28.7 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-O 121.452 0.644 . . . . 0.0 111.497 170.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 15.2 t -142.84 95.07 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 CA-C-N 114.602 -1.181 . . . . 0.0 109.23 -166.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.426 ' CG ' ' H22' ' G' ' 27' ' ' ' G' . 0.0 OUTLIER -146.67 163.76 34.85 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 123.905 0.882 . . . . 0.0 110.858 175.242 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.51 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 27.5 ptt180 -76.94 161.32 28.47 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 123.241 0.616 . . . . 0.0 112.608 175.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -54.82 -40.06 69.17 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.702 0.801 . . . . 0.0 112.229 -171.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -64.45 -24.27 67.57 Favored 'General case' 0 N--CA 1.456 -0.163 0 O-C-N 121.511 -0.743 . . . . 0.0 112.692 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 13.3 mm -88.08 -47.79 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.343 0 C-N-CA 124.18 0.992 . . . . 0.0 110.464 174.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -50.91 -36.97 41.12 Favored 'General case' 0 N--CA 1.45 -0.434 0 C-N-CA 125.237 1.415 . . . . 0.0 112.169 -177.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.65 -23.32 63.46 Favored 'General case' 0 N--CA 1.452 -0.331 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -175.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.477 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 4.3 mpt_? -78.97 -39.01 35.53 Favored 'General case' 0 C--N 1.34 0.152 0 CA-C-N 118.932 0.787 . . . . 0.0 110.456 170.379 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.503 HG22 ' NE2' ' B' ' 52' ' ' GLN . 92.0 mt -65.65 -41.15 89.95 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 -175.068 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.503 ' NE2' HG22 ' B' ' 51' ' ' ILE . 34.7 mm-40 -79.17 4.98 13.24 Favored 'General case' 0 N--CA 1.453 -0.283 0 N-CA-C 113.112 0.782 . . . . 0.0 113.112 173.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.04 -20.02 46.24 Favored 'General case' 0 N--CA 1.452 -0.368 0 O-C-N 121.93 -0.481 . . . . 0.0 111.505 168.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 138.04 46.41 0.07 OUTLIER Glycine 0 C--N 1.339 0.704 0 CA-C-O 119.38 -0.678 . . . . 0.0 114.531 168.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.425 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.4 pp -169.04 -175.67 2.39 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.017 0.908 . . . . 0.0 113.074 -168.318 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 36.0 p -125.94 -179.92 4.91 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 125.465 1.506 . . . . 0.0 109.015 167.454 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -39.33 121.4 1.33 Allowed Pre-proline 0 CA--C 1.531 0.228 0 C-N-CA 124.355 1.062 . . . . 0.0 111.91 179.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo -68.26 -175.17 0.77 Allowed 'Trans proline' 0 N--CA 1.454 -0.835 0 C-N-CA 123.012 2.474 . . . . 0.0 112.951 -175.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 28.8 t0 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.717 169.186 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 13.2 tpp . . . . . 0 N--CA 1.475 0.813 0 CA-C-O 119.301 -0.381 . . . . 0.0 110.589 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -111.82 107.43 16.48 Favored 'General case' 0 N--CA 1.452 -0.328 0 N-CA-C 107.394 -1.336 . . . . 0.0 107.394 167.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.7 mp -83.22 132.16 32.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 C-N-CA 123.583 0.753 . . . . 0.0 109.471 177.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 80.0 mt -125.46 134.92 51.9 Favored 'General case' 0 N--CA 1.452 -0.336 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 169.126 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 41.6 p -93.53 150.05 20.75 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.943 0.402 . . . . 0.0 110.32 169.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.46 ' HD3' HG13 ' C' ' 12' ' ' ILE . 21.8 ttp180 -145.99 146.92 31.18 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.558 -174.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.481 ' HE2' ' CB ' ' D' ' 28' ' ' GLN . 8.1 tptm -103.7 149.86 24.57 Favored 'General case' 0 C--N 1.333 -0.109 0 N-CA-C 108.527 -0.916 . . . . 0.0 108.527 175.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 34.1 m -56.52 135.17 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.124 0 CA-C-N 119.075 0.852 . . . . 0.0 112.479 -172.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.73 -5.85 76.83 Favored Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.288 1.423 . . . . 0.0 114.608 -177.033 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . 0.445 ' HB2' ' HG2' ' C' ' 6' ' ' ARG . 99.1 mt-10 -86.32 -172.33 3.99 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 119.456 1.628 . . . . 0.0 112.289 176.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 64.2 m -148.23 158.65 44.21 Favored 'General case' 0 C--N 1.339 0.146 0 C-N-CA 124.68 1.192 . . . . 0.0 112.903 -168.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.46 HG13 ' HD3' ' C' ' 6' ' ' ARG . 44.1 mt -135.78 157.66 38.94 Favored 'Isoleucine or valine' 0 CA--C 1.527 0.081 0 C-N-CA 127.327 2.251 . . . . 0.0 108.192 176.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -128.08 146.5 50.67 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.711 0.805 . . . . 0.0 111.612 175.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 58.1 mt -132.06 137.33 54.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 124.619 1.168 . . . . 0.0 108.73 178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.91 -135.07 51.8 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 111.23 -0.748 . . . . 0.0 111.23 -172.395 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -123.12 5.67 9.22 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 124.018 0.927 . . . . 0.0 111.785 172.505 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -129.19 -8.27 4.8 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -169.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -119.8 135.8 58.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 CA-C-N 118.68 0.673 . . . . 0.0 110.596 -173.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 25.6 m -121.94 137.9 54.62 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 124.604 1.161 . . . . 0.0 109.167 169.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 17.6 mm -116.51 141.14 35.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.273 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 175.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -131.29 136.81 48.47 Favored 'General case' 0 N--CA 1.457 -0.121 0 CA-C-N 118.303 0.501 . . . . 0.0 110.449 -173.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.8 tp -94.46 111.85 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 169.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.406 HD12 ' HG2' ' C' ' 31' ' ' ARG . 4.9 mt -90.01 -33.91 16.17 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -174.138 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.42 -168.08 39.24 Favored Glycine 0 C--N 1.338 0.644 0 CA-C-O 120.186 -0.23 . . . . 0.0 113.094 167.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 3.0 m -119.86 163.98 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.458 -0.069 0 CA-C-O 121.541 0.686 . . . . 0.0 111.86 175.175 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 32.8 m -146.85 69.95 1.19 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.102 1.761 . . . . 0.0 108.655 -172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 69.04 -109.14 2.75 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 109.315 -1.514 . . . . 0.0 109.315 -168.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -98.44 -6.38 30.6 Favored 'General case' 0 N--CA 1.455 -0.189 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 178.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . 0.478 ' HA ' ' HA ' ' D' ' 7' ' ' LYS . 0.0 OUTLIER -93.97 160.02 14.91 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-O 122.05 0.929 . . . . 0.0 111.969 171.756 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 39.7 t -131.01 117.28 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.612 0 N-CA-C 106.011 -1.848 . . . . 0.0 106.011 -172.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . 0.406 ' HG2' HD12 ' C' ' 23' ' ' LEU . 13.5 ttm180 -75.83 107.28 7.9 Favored 'General case' 0 N--CA 1.453 -0.298 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 170.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 42.9 mt -110.65 133.49 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 125.161 1.384 . . . . 0.0 109.118 -177.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -103.69 142.02 15.39 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 124.576 1.084 . . . . 0.0 111.867 173.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 26.6 mt -132.27 114.65 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.312 0 C-N-CA 124.89 1.276 . . . . 0.0 107.675 -178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -123.34 98.56 5.92 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 121.064 0.459 . . . . 0.0 110.234 -168.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -142.39 157.44 62.79 Favored Pre-proline 0 N--CA 1.452 -0.334 0 C-N-CA 124.474 1.11 . . . . 0.0 109.805 -174.664 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -61.27 151.28 80.18 Favored 'Trans proline' 0 N--CA 1.452 -0.936 0 C-N-CA 122.625 2.216 . . . . 0.0 111.222 171.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mmtp -64.36 -0.94 1.44 Allowed 'General case' 0 CA--C 1.528 0.11 0 C-N-CA 123.693 0.797 . . . . 0.0 112.745 171.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -65.89 -23.67 66.69 Favored 'General case' 0 N--CA 1.453 -0.312 0 C-N-CA 124.345 1.058 . . . . 0.0 111.569 169.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 4.8 m -120.44 146.21 25.65 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 C-N-CA 124.082 0.953 . . . . 0.0 110.412 175.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -86.03 152.1 23.18 Favored 'General case' 0 N--CA 1.451 -0.379 0 C-N-CA 122.784 0.434 . . . . 0.0 111.054 175.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.4 m -136.52 133.49 49.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.16 0 C-N-CA 123.068 0.547 . . . . 0.0 109.711 169.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -153.71 158.43 41.0 Favored 'General case' 0 N--CA 1.456 -0.131 0 C-N-CA 122.994 0.518 . . . . 0.0 111.606 -179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -72.04 155.09 40.69 Favored 'General case' 0 N--CA 1.455 -0.224 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 166.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 9.4 tm-20 -59.75 -30.86 69.15 Favored 'General case' 0 CA--C 1.528 0.11 0 N-CA-C 112.607 0.595 . . . . 0.0 112.607 -169.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -56.66 -45.45 81.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.877 0.871 . . . . 0.0 111.69 175.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 30.6 mm -88.95 -30.89 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 C-N-CA 123.252 0.621 . . . . 0.0 110.609 -172.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 58.4 t80 -50.91 -38.82 52.25 Favored 'General case' 0 N--CA 1.455 -0.221 0 C-N-CA 123.469 0.708 . . . . 0.0 112.164 177.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 82.0 mt-30 -58.15 -32.35 68.09 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 123.634 0.774 . . . . 0.0 112.267 -179.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 77.5 ttt180 -70.15 -39.13 75.53 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.191 0.596 . . . . 0.0 111.804 176.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -65.75 -22.03 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.244 0 CA-C-N 118.039 0.381 . . . . 0.0 110.047 177.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -92.88 -11.83 32.5 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.652 0.781 . . . . 0.0 112.969 173.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.69 -21.59 41.16 Favored 'General case' 0 N--CA 1.455 -0.209 0 C-N-CA 124.092 0.957 . . . . 0.0 112.376 -178.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 100.49 137.9 10.01 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.194 -0.763 . . . . 0.0 111.194 -172.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.18 170.48 17.13 Favored 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.403 1.081 . . . . 0.0 111.039 -173.837 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 30.2 p -75.74 -2.02 27.72 Favored 'General case' 0 N--CA 1.457 -0.083 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -168.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -144.82 83.55 9.45 Favored Pre-proline 0 N--CA 1.453 -0.306 0 CA-C-N 118.691 0.678 . . . . 0.0 110.768 170.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_exo -59.57 130.24 34.56 Favored 'Trans proline' 0 N--CA 1.451 -0.982 0 C-N-CA 123.1 2.533 . . . . 0.0 112.172 178.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 26.3 t70 . . . . . 0 CA--C 1.531 0.247 0 C-N-CA 125.608 1.563 . . . . 0.0 114.856 170.543 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.406 ' HE2' ' C6 ' ' G' ' 67' ' ' ' C' . 7.6 ttp . . . . . 0 N--CA 1.476 0.844 0 CA-C-O 118.748 -0.644 . . . . 0.0 109.521 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -116.83 119.41 35.32 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.645 1.178 . . . . 0.0 109.553 176.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -116.24 136.13 54.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 124.296 1.038 . . . . 0.0 110.013 -169.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 71.0 mt -138.5 164.68 28.8 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 125.004 1.322 . . . . 0.0 111.607 -178.141 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 23.6 p -106.59 115.02 29.47 Favored 'General case' 0 N--CA 1.455 -0.225 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 164.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -108.13 127.31 53.69 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.692 0.797 . . . . 0.0 110.147 172.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.478 ' HA ' ' HA ' ' C' ' 29' ' ' GLN . 66.6 mttt -83.81 156.17 22.62 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.928 0.785 . . . . 0.0 111.356 170.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 26.2 m -57.05 134.04 21.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.326 -178.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.94 -5.63 72.6 Favored Glycine 0 CA--C 1.528 0.869 0 C-N-CA 124.58 1.086 . . . . 0.0 114.226 -179.109 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -95.23 179.08 5.31 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 118.854 1.327 . . . . 0.0 112.013 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 71.3 m -137.82 158.18 44.9 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -169.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 54.8 mt -137.08 159.95 36.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.142 0 C-N-CA 127.262 2.225 . . . . 0.0 108.386 179.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -134.92 149.72 50.31 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 123.662 0.785 . . . . 0.0 112.284 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 62.6 mt -134.56 136.26 52.81 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 124.951 1.301 . . . . 0.0 108.963 179.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.77 -135.92 51.58 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.383 -0.687 . . . . 0.0 111.383 -176.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 15.4 m-20 -123.45 5.51 9.0 Favored 'General case' 0 N--CA 1.455 -0.212 0 C-N-CA 123.774 0.83 . . . . 0.0 112.151 174.16 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -128.81 -10.89 4.91 Favored 'General case' 0 N--CA 1.456 -0.156 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 -172.502 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -116.61 135.96 55.22 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.153 0 CA-C-N 118.833 0.742 . . . . 0.0 110.865 -170.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 38.1 m -122.3 145.45 48.23 Favored 'General case' 0 N--CA 1.454 -0.248 0 C-N-CA 124.764 1.226 . . . . 0.0 109.574 172.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 27.1 mm -125.36 139.43 51.26 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 C-N-CA 125.242 1.417 . . . . 0.0 107.98 176.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 10.4 m -132.33 125.81 31.81 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 123.131 0.572 . . . . 0.0 109.466 -176.319 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -86.32 100.42 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 108.648 -0.871 . . . . 0.0 108.648 174.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 mt -75.29 -31.96 60.85 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 123.124 0.57 . . . . 0.0 110.689 -169.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 167.16 -172.33 42.17 Favored Glycine 0 CA--C 1.524 0.616 0 C-N-CA 122.16 -0.067 . . . . 0.0 113.259 172.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 15.5 m -117.55 160.17 17.26 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.121 0 C-N-CA 123.806 0.842 . . . . 0.0 110.446 169.045 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 58.3 m -144.24 78.4 1.58 Allowed 'General case' 0 N--CA 1.453 -0.289 0 C-N-CA 123.661 0.784 . . . . 0.0 109.075 169.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.96 -114.76 3.89 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 111.176 -0.769 . . . . 0.0 111.176 -174.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . 0.481 ' CB ' ' HE2' ' C' ' 7' ' ' LYS . 3.6 mp0 -94.08 -5.85 46.42 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.33 0.652 . . . . 0.0 110.266 172.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 19.3 mt-30 -73.26 153.04 40.78 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-O 121.8 0.81 . . . . 0.0 111.726 169.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.6 t -133.1 118.67 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.572 0 C-N-CA 126.33 1.852 . . . . 0.0 106.514 172.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 7.9 ttm-85 -93.1 114.42 26.94 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 108.297 -1.001 . . . . 0.0 108.297 -177.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.4 mt -122.17 123.93 69.97 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.189 0 C-N-CA 123.222 0.609 . . . . 0.0 110.241 -168.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.74 133.35 11.75 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 170.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 5.0 mp -113.91 139.31 40.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.38 0 N-CA-C 108.588 -0.893 . . . . 0.0 108.588 170.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.4 t-20 -135.28 89.92 2.57 Favored 'General case' 0 N--CA 1.449 -0.499 0 N-CA-C 108.49 -0.93 . . . . 0.0 108.49 177.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -116.92 154.52 49.64 Favored Pre-proline 0 N--CA 1.45 -0.44 0 C-N-CA 124.725 1.21 . . . . 0.0 108.4 171.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 36.4 Cg_endo -55.53 143.1 79.71 Favored 'Trans proline' 0 N--CA 1.449 -1.103 0 C-N-CA 121.318 1.345 . . . . 0.0 109.535 169.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 18.0 tptm -65.93 -7.59 17.6 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.381 0.672 . . . . 0.0 112.513 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -65.98 -22.33 66.46 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 126.135 1.774 . . . . 0.0 112.773 169.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 3.8 m -121.77 160.05 23.76 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.146 0 C-N-CA 124.091 0.956 . . . . 0.0 110.57 176.359 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.11 157.04 16.07 Favored 'General case' 0 N--CA 1.453 -0.313 0 N-CA-C 113.421 0.897 . . . . 0.0 113.421 -170.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.09 124.4 1.12 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.92 0.888 . . . . 0.0 109.66 168.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -150.02 163.56 37.82 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.956 0.902 . . . . 0.0 111.13 176.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 80.7 mtp180 -65.87 158.14 28.69 Favored 'General case' 0 N--CA 1.457 -0.084 0 O-C-N 121.852 -0.53 . . . . 0.0 110.042 168.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -64.52 -24.56 67.65 Favored 'General case' 0 CA--C 1.53 0.187 0 C-N-CA 123.567 0.747 . . . . 0.0 112.186 -177.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -65.78 -51.14 61.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 O-C-N 121.523 -0.736 . . . . 0.0 111.022 169.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 16.4 mm -69.1 -35.07 66.76 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 C-N-CA 124.274 1.03 . . . . 0.0 109.855 -176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -58.13 -45.67 86.92 Favored 'General case' 0 N--CA 1.447 -0.591 0 O-C-N 121.785 -0.572 . . . . 0.0 111.022 176.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 40.9 mt-30 -67.59 -24.75 65.53 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.123 0.569 . . . . 0.0 112.458 176.081 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.73 -45.21 83.52 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.191 0.996 . . . . 0.0 109.659 172.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . . . . . . . . . 59.0 mt -79.04 -42.33 23.82 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.41 0 C-N-CA 124.461 1.104 . . . . 0.0 110.91 -173.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -70.39 1.95 4.42 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.559 1.144 . . . . 0.0 112.048 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.44 -20.81 66.4 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.366 1.067 . . . . 0.0 111.991 168.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . 135.32 35.36 0.23 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 123.572 0.606 . . . . 0.0 113.739 169.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . . . . . . . . . 2.2 pp -159.28 -172.97 3.96 Favored 'General case' 0 N--CA 1.454 -0.262 0 CA-C-N 118.006 0.903 . . . . 0.0 111.629 -168.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 12.4 p -109.8 -94.64 0.42 Allowed 'General case' 0 N--CA 1.458 -0.072 0 C-N-CA 123.77 0.828 . . . . 0.0 110.136 168.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -140.82 109.41 6.55 Favored Pre-proline 0 N--CA 1.453 -0.299 0 C-N-CA 123.472 0.709 . . . . 0.0 109.744 174.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -63.65 169.93 9.21 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 122.845 2.364 . . . . 0.0 113.914 179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 26.7 t70 . . . . . 0 N--CA 1.453 -0.284 0 C-N-CA 124.318 1.047 . . . . 0.0 112.359 -177.906 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.475 0.811 0 N-CA-C 110.368 -0.234 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 tt -107.63 134.24 50.91 Favored 'General case' 0 N--CA 1.454 -0.264 0 C-N-CA 123.973 0.909 . . . . 0.0 110.1 179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -124.97 139.01 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.255 0 C-N-CA 124.269 1.028 . . . . 0.0 109.504 179.497 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 51.9 mt -136.24 165.02 26.73 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 125.805 1.642 . . . . 0.0 110.499 -179.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . 0.551 HG22 ' HG3' ' F' ' 29' ' ' GLN . 2.6 m -129.41 101.34 5.92 Favored 'General case' 0 N--CA 1.453 -0.307 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 167.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -104.95 132.7 50.86 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.315 1.046 . . . . 0.0 111.396 -172.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 19.7 mmtp -79.64 155.38 28.1 Favored 'General case' 0 N--CA 1.451 -0.387 0 C-N-CA 123.478 0.711 . . . . 0.0 111.15 171.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . 0.821 HG11 HG12 ' E' ' 25' ' ' VAL . 31.1 m -60.03 139.28 19.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.9 178.586 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.6 -3.78 86.15 Favored Glycine 0 CA--C 1.526 0.742 0 CA-C-O 119.004 -0.887 . . . . 0.0 113.967 -179.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -95.86 176.69 6.03 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 118.967 1.384 . . . . 0.0 111.758 174.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 54.7 m -135.28 157.94 45.64 Favored 'General case' 0 N--CA 1.456 -0.164 0 N-CA-C 113.196 0.813 . . . . 0.0 113.196 -168.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 62.4 mt -136.84 157.44 36.11 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 126.648 1.979 . . . . 0.0 107.956 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -137.07 150.01 47.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 O-C-N 121.281 -0.887 . . . . 0.0 112.939 -173.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 53.1 mt -137.6 138.98 44.05 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.184 0 C-N-CA 124.802 1.241 . . . . 0.0 109.173 -178.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.81 -134.96 49.39 Favored Glycine 0 CA--C 1.526 0.774 0 N-CA-C 111.401 -0.679 . . . . 0.0 111.401 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -127.21 10.07 6.81 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.114 0.965 . . . . 0.0 111.706 170.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.12 -5.84 2.1 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 113.158 0.799 . . . . 0.0 113.158 -170.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -119.48 134.26 63.63 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.227 0 CA-C-N 118.737 0.699 . . . . 0.0 110.557 -174.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 41.9 m -123.49 141.89 51.55 Favored 'General case' 0 N--CA 1.455 -0.219 0 C-N-CA 124.216 1.006 . . . . 0.0 109.923 173.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 23.1 mm -118.98 137.58 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.303 0 C-N-CA 125.204 1.402 . . . . 0.0 107.992 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 15.5 m -130.91 128.03 39.69 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -83.78 101.35 8.27 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.377 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 170.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 15.5 mt -71.13 -33.1 69.78 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 122.855 0.462 . . . . 0.0 110.457 -174.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 164.74 -167.31 38.46 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 114.079 0.392 . . . . 0.0 114.079 168.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . 0.821 HG12 HG11 ' E' ' 8' ' ' VAL . 10.1 p -145.92 136.1 18.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.302 1.041 . . . . 0.0 112.082 -166.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 33.3 t -150.14 127.57 11.47 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.93 0.892 . . . . 0.0 110.62 169.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 62.48 -129.6 42.7 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -175.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . 0.487 ' HA ' HG11 ' F' ' 25' ' ' VAL . 17.2 mm100 -90.25 -13.42 35.43 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.025 0.53 . . . . 0.0 111.45 171.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 mm-40 -80.7 144.62 32.09 Favored 'General case' 0 N--CA 1.45 -0.435 0 C-N-CA 124.762 1.225 . . . . 0.0 111.575 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 60.9 t -138.44 116.73 13.1 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 -170.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 9.4 mmt85 -80.48 113.62 18.8 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 178.21 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mt -119.21 130.64 73.65 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.163 0 C-N-CA 123.455 0.702 . . . . 0.0 110.2 -174.865 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.35 143.76 15.71 Favored Glycine 0 CA--C 1.525 0.682 0 C-N-CA 124.472 1.034 . . . . 0.0 111.488 173.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 61.8 mt -134.69 126.99 48.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.632 1.173 . . . . 0.0 108.919 -176.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t-20 -128.44 98.99 5.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -171.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -139.16 155.43 72.56 Favored Pre-proline 0 N--CA 1.453 -0.32 0 C-N-CA 124.553 1.141 . . . . 0.0 110.565 178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -61.99 158.94 36.19 Favored 'Trans proline' 0 N--CA 1.451 -1.007 0 C-N-CA 122.838 2.358 . . . . 0.0 112.084 171.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 5.7 mmmm -68.57 -0.87 5.63 Favored 'General case' 0 N--CA 1.458 -0.073 0 C-N-CA 123.569 0.748 . . . . 0.0 112.584 169.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -64.98 -24.5 67.53 Favored 'General case' 0 N--CA 1.453 -0.311 0 C-N-CA 124.845 1.258 . . . . 0.0 111.59 169.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 4.3 m -119.74 153.93 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 124.267 1.027 . . . . 0.0 110.451 178.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -87.9 154.6 20.39 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.325 172.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -155.1 127.5 1.03 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 122.705 0.402 . . . . 0.0 110.503 169.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -150.59 165.46 33.26 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 124.284 1.034 . . . . 0.0 110.131 178.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.2 ptt85 -77.95 161.99 27.13 Favored 'General case' 0 N--CA 1.455 -0.215 0 O-C-N 121.806 -0.559 . . . . 0.0 109.617 169.575 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 7.7 tm-20 -57.44 -26.84 61.8 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 112.628 0.603 . . . . 0.0 112.628 -169.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.53 -47.29 82.22 Favored 'General case' 0 N--CA 1.453 -0.29 0 C-N-CA 124.121 0.968 . . . . 0.0 111.54 176.062 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -79.49 -34.31 15.91 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 C-N-CA 123.184 0.594 . . . . 0.0 109.909 -175.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 82.8 t80 -50.34 -35.87 29.69 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.921 0.888 . . . . 0.0 112.795 -178.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 71.4 mt-30 -60.47 -21.93 62.91 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.172 0.989 . . . . 0.0 112.759 -178.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.8 mpt_? -73.14 -49.37 28.64 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 174.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.492 ' N ' HD12 ' E' ' 51' ' ' ILE . 2.4 mp -64.3 -23.03 32.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 125.07 1.348 . . . . 0.0 110.823 -177.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 73.4 mm-40 -85.24 -40.51 16.55 Favored 'General case' 0 N--CA 1.454 -0.254 0 N-CA-C 115.694 1.738 . . . . 0.0 115.694 169.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -107.93 -32.18 7.68 Favored 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -167.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . -124.91 -24.1 1.72 Allowed Glycine 0 CA--C 1.527 0.827 0 C-N-CA 124.046 0.831 . . . . 0.0 112.788 -169.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.428 ' N ' HD13 ' E' ' 55' ' ' LEU . 0.2 OUTLIER 65.25 167.35 0.18 Allowed 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 128.419 2.688 . . . . 0.0 113.572 169.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 40.9 p -102.02 -6.03 23.88 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.463 -0.789 . . . . 0.0 112.952 -174.559 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.73 133.19 18.81 Favored Pre-proline 0 N--CA 1.453 -0.325 0 C-N-CA 124.048 0.939 . . . . 0.0 110.043 172.604 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 44.4 Cg_exo -64.73 177.43 2.28 Favored 'Trans proline' 0 N--CA 1.451 -0.987 0 C-N-CA 123.117 2.544 . . . . 0.0 113.436 171.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 18.7 t70 . . . . . 0 N--CA 1.454 -0.243 0 C-N-CA 124.408 1.083 . . . . 0.0 112.704 174.646 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.1 tpt . . . . . 0 N--CA 1.474 0.772 0 N-CA-C 110.753 -0.091 . . . . 0.0 110.753 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.2 mt -101.04 148.44 25.05 Favored 'General case' 0 N--CA 1.451 -0.377 0 C-N-CA 123.075 0.55 . . . . 0.0 111.51 175.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -128.31 138.22 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.366 0 C-N-CA 123.596 0.758 . . . . 0.0 109.831 172.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 91.7 mt -133.2 161.0 35.61 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.967 1.307 . . . . 0.0 110.428 177.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -120.87 101.01 7.42 Favored 'General case' 0 N--CA 1.453 -0.288 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 167.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -106.7 131.45 53.82 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 125.16 1.384 . . . . 0.0 110.134 -174.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -99.15 166.01 11.44 Favored 'General case' 0 CA--C 1.522 -0.126 0 CA-C-N 119.683 1.128 . . . . 0.0 112.969 172.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . 0.689 HG11 HG12 ' F' ' 25' ' ' VAL . 4.3 m -52.41 139.31 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 -169.39 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.06 -7.68 79.55 Favored Glycine 0 CA--C 1.527 0.796 0 C-N-CA 124.21 0.91 . . . . 0.0 113.882 176.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -91.79 165.75 13.11 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.578 1.189 . . . . 0.0 111.688 -178.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 74.5 m -128.35 155.26 44.95 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 -169.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 56.3 mt -136.43 159.44 38.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 126.951 2.1 . . . . 0.0 107.661 177.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -137.38 148.98 46.62 Favored 'General case' 0 N--CA 1.454 -0.25 0 O-C-N 121.495 -0.753 . . . . 0.0 112.558 -174.245 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 42.3 mt -136.19 140.82 43.06 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.621 1.168 . . . . 0.0 109.093 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.68 -139.04 48.71 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.436 -0.666 . . . . 0.0 111.436 -173.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -119.69 10.14 11.61 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 123.998 0.919 . . . . 0.0 111.851 170.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -136.94 -16.91 1.43 Allowed 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 113.677 0.991 . . . . 0.0 113.677 -169.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -104.55 137.1 35.1 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.176 0 CA-C-N 119.072 0.851 . . . . 0.0 110.643 -173.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 32.4 m -124.15 141.3 52.17 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.072 0.949 . . . . 0.0 110.202 173.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.0 mm -119.32 137.72 52.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 125.321 1.448 . . . . 0.0 108.025 173.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 29.5 m -136.16 130.07 32.68 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 122.862 0.465 . . . . 0.0 109.932 179.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -81.64 112.73 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.29 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 170.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 41.8 mt -84.43 -27.65 27.42 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.032 0.533 . . . . 0.0 111.305 -172.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 159.66 -177.01 36.35 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 122.909 0.29 . . . . 0.0 113.626 169.37 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . 0.689 HG12 HG11 ' F' ' 8' ' ' VAL . 2.6 p -135.05 136.07 52.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.145 0 C-N-CA 124.299 1.04 . . . . 0.0 111.854 -169.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 68.9 m -140.91 89.98 2.29 Favored 'General case' 0 N--CA 1.454 -0.253 0 C-N-CA 125.038 1.335 . . . . 0.0 109.623 173.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 63.39 -130.45 40.89 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.328 -0.709 . . . . 0.0 111.328 -174.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -73.85 -20.19 60.5 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.106 0.562 . . . . 0.0 111.838 178.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . 0.551 ' HG3' HG22 ' E' ' 5' ' ' THR . 31.6 tt0 -87.73 129.08 35.28 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.762 0.825 . . . . 0.0 110.322 -177.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 42.0 t -128.0 123.05 59.83 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.375 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -172.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -87.89 127.18 35.35 Favored 'General case' 0 N--CA 1.453 -0.311 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -133.87 142.0 42.5 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.152 0 C-N-CA 123.586 0.755 . . . . 0.0 110.408 -168.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -122.85 142.17 14.44 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 123.968 0.794 . . . . 0.0 111.646 178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 4.2 mp -130.01 138.87 52.94 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 124.605 1.162 . . . . 0.0 109.614 177.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 51.5 t-20 -131.84 106.82 8.33 Favored 'General case' 0 N--CA 1.45 -0.457 0 C-N-CA 124.013 0.925 . . . . 0.0 109.33 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.82 157.86 76.62 Favored Pre-proline 0 N--CA 1.452 -0.329 0 C-N-CA 124.186 0.994 . . . . 0.0 111.306 -179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 28.0 Cg_endo -64.72 162.07 33.19 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 122.982 2.455 . . . . 0.0 112.172 173.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -71.71 -4.25 26.42 Favored 'General case' 0 N--CA 1.457 -0.076 0 C-N-CA 123.428 0.691 . . . . 0.0 112.529 172.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -68.76 -20.64 64.37 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.677 1.191 . . . . 0.0 112.361 171.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 12.2 m -127.07 163.93 28.83 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 C-N-CA 123.949 0.9 . . . . 0.0 111.025 -177.444 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.82 161.02 13.95 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 123.36 0.664 . . . . 0.0 111.23 171.201 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.0 p -155.03 126.19 0.88 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.413 0.685 . . . . 0.0 110.258 170.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -152.67 175.2 13.08 Favored 'General case' 0 N--CA 1.456 -0.144 0 C-N-CA 124.313 1.045 . . . . 0.0 110.028 176.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 31.7 ptt-85 -77.97 162.91 26.42 Favored 'General case' 0 N--CA 1.454 -0.229 0 O-C-N 121.776 -0.578 . . . . 0.0 109.843 168.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 10.2 tm-20 -60.5 -29.87 69.37 Favored 'General case' 0 N--CA 1.456 -0.155 0 C-N-CA 122.888 0.475 . . . . 0.0 112.176 -171.458 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -55.72 -45.27 77.98 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 124.107 0.963 . . . . 0.0 111.709 174.011 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 20.8 mm -88.04 -31.56 5.78 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 C-N-CA 123.664 0.786 . . . . 0.0 110.249 -170.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.7 t80 -49.81 -35.67 23.65 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 124.392 1.077 . . . . 0.0 112.747 176.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 63.4 mt-30 -59.64 -22.0 61.27 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.132 0.973 . . . . 0.0 112.617 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.0 mpt_? -73.48 -49.03 28.84 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.133 0.573 . . . . 0.0 109.476 174.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.501 ' N ' HD12 ' F' ' 51' ' ' ILE . 2.1 mp -63.93 -23.09 32.51 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.242 1.417 . . . . 0.0 110.732 -177.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 73.0 mm-40 -85.08 -41.28 15.89 Favored 'General case' 0 N--CA 1.454 -0.245 0 N-CA-C 115.672 1.731 . . . . 0.0 115.672 169.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.42 -32.87 7.92 Favored 'General case' 0 CA--C 1.529 0.164 0 N-CA-C 116.221 1.934 . . . . 0.0 116.221 -166.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -127.1 -20.92 1.76 Allowed Glycine 0 CA--C 1.526 0.719 0 C-N-CA 124.101 0.857 . . . . 0.0 113.01 -169.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.463 HD13 ' N ' ' F' ' 55' ' ' LEU . 0.2 OUTLIER 62.03 -176.72 0.13 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 127.82 2.448 . . . . 0.0 112.875 169.72 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 34.0 p -81.59 -13.99 57.32 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.967 -0.561 . . . . 0.0 112.272 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.86 93.09 18.08 Favored Pre-proline 0 N--CA 1.453 -0.305 0 C-N-CA 124.278 1.031 . . . . 0.0 109.987 171.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -57.33 -41.23 75.16 Favored 'Trans proline' 0 N--CA 1.454 -0.824 0 C-N-CA 123.664 2.91 . . . . 0.0 112.924 174.411 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 31.1 t70 . . . . . 0 N--CA 1.452 -0.346 0 C-N-CA 123.116 0.566 . . . . 0.0 110.8 -168.859 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.22 0 O4'-C1'-N19 112.082 3.882 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.757 3.557 . 0.355 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 1 O4'-C1'-N19 112.771 4.571 . 0.562 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.081 1 O4'-C1'-N19 112.324 4.124 . 0.061 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.464 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.288 0 C3'-C2'-C1' 104.274 3.082 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.464 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.226 1 C5'-C4'-C3' 108.498 -4.668 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 1 C5'-C4'-C3' 109.076 -4.283 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.153 0 C3'-C2'-C1' 104.07 2.856 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.086 0 O4'-C1'-N19 111.124 2.924 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.299 0 C3'-C2'-C1' 104.808 3.676 . 0.314 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.309 0 O4'-C1'-N19 111.26 3.06 . 0.01 7p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.039 0 C3'-C2'-C1' 103.743 2.492 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.225 0 C5'-C4'-C3' 110.61 -3.26 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 100.304 -2.396 . 0.797 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.218 0 O4'-C1'-N19 111.846 3.646 . 0.786 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 O4'-C1'-N19 111.64 3.44 . 0.36 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.989 0 C5'-C4'-C3' 109.932 -3.712 . 0.773 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.016 0 C5'-C4'-C3' 109.849 -3.767 . 0.0 OUTLIER '7D dist 4n' 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 O4'-C1'-N19 111.652 3.452 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.283 2 O4'-C1'-N19 113.247 5.047 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.171 1 O4'-C1'-N19 112.801 4.601 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 110.977 2.777 . 0.129 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.063 1 O4'-C1'-N19 112.519 4.319 . 0.697 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 1 O4'-C1'-N19 112.208 4.008 . 0.489 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . 0.401 " H2'" ' C8 ' ' G' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 N19-C1'-C2' 109.105 -2.685 . 0.804 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.976 0 O5'-C5'-C4' 114.155 2.825 . 0.315 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.426 ' H22' ' CG ' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 N19-C1'-C2' 116.846 2.154 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.389 0 C5'-C4'-C3' 112.309 -2.127 . 0.065 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.206 0 C5'-C4'-C3' 111.179 -2.881 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.3 0 O4'-C1'-N19 111.834 3.634 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.227 0 C4'-C3'-C2' 100.28 -2.42 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.183 0 O4'-C1'-N19 111.056 2.856 . 0.645 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.123 1 O4'-C1'-N19 112.463 4.263 . 0.847 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.03 0 O4'-C1'-N19 111.964 3.764 . 0.4 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.061 0 C4'-C3'-C2' 99.78 -2.92 . 0.269 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.365 3.165 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.45 0 O4'-C1'-N19 111.651 3.451 . 0.474 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.27 0 O4'-C1'-N19 112.077 3.877 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 C3'-C2'-C1' 104.28 3.089 . 0.323 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.237 1 O4'-C1'-N19 113.15 4.95 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.378 1 C5'-C4'-C3' 108.82 -4.453 . 0.027 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.282 2 C3'-C2'-C1' 105.974 4.971 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.242 0 C5'-C4'-C3' 109.831 -3.779 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.041 1 O4'-C1'-N19 112.781 4.581 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.079 1 O4'-C1'-N19 112.371 4.171 . 0.33 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.119 0 O4'-C1'-N19 111.356 3.156 . 0.522 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.947 0 O4'-C1'-N19 112.044 3.844 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 C3'-C2'-C1' 105.311 4.235 OUTLIER-EPSILON 0.07 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.221 0 C4'-C3'-C2' 98.798 -3.902 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.157 0 O4'-C1'-N19 110.945 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.336 0 C5'-C4'-C3' 111.429 -2.714 . 0.403 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.415 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.412 -3.443 1 O5'-C5'-C4' 117.266 5.047 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.108 0 C5'-C4'-C3' 111.693 -2.538 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.983 1 O4'-C1'-N19 112.255 4.055 . 0.865 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C4'-C3'-C2' 100.239 -2.461 . 0.532 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.14 0 O4'-C1'-N19 110.975 2.775 . 0.563 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.341 0 C3'-C2'-C1' 104.307 3.119 . 0.343 1t . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.198 1 O4'-C1'-N19 112.492 4.292 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 1 O4'-C1'-N19 112.322 4.122 . 0.147 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 111.597 3.397 . 0.607 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.15 0 O4'-C1'-N19 112.005 3.805 . 0.49 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.075 0 O4'-C1'-N19 111.379 3.179 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.444 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C3'-C2'-C1' 105.073 3.971 . 0.42 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.444 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.212 0 C4'-C3'-C2' 99.603 -3.097 . 0.122 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.146 0 O4'-C1'-N19 110.771 2.571 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . 0.565 " H2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.411 -3.484 0 C3'-C2'-C1' 104.341 3.157 . 0.449 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.565 H5'' " H2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.409 -3.684 2 O5'-C5'-C4' 118.893 6.21 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.562 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.323 1 P-O3'-C3' 125.794 5.078 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 O4'-C1'-N19 110.788 2.588 . 0.806 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.152 1 O4'-C1'-N19 112.686 4.486 . 0.557 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.067 0 O4'-C1'-N19 111.363 3.163 . 0.363 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.149 0 O4'-C1'-N19 111.464 3.264 . 0.517 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 40.6 ttp . . . . . 0 N--CA 1.474 0.773 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -97.7 113.02 24.69 Favored 'General case' 0 N--CA 1.454 -0.263 0 C-N-CA 123.544 0.737 . . . . 0.0 109.783 -174.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.7 mp -96.06 134.97 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.214 0 C-N-CA 123.572 0.749 . . . . 0.0 109.269 179.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.6 mt -131.86 166.75 20.9 Favored 'General case' 0 N--CA 1.452 -0.325 0 C-N-CA 124.212 1.005 . . . . 0.0 109.724 172.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 59.3 m -126.98 132.95 50.68 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.774 0.83 . . . . 0.0 108.804 -178.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.1 mmp_? -125.9 170.46 11.64 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 123.744 0.817 . . . . 0.0 109.86 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.4 mttt -132.18 158.11 42.56 Favored 'General case' 0 N--CA 1.453 -0.293 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 169.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.525 HG13 ' HA2' ' A' ' 24' ' ' GLY . 67.3 t -46.45 123.96 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 120.623 0.249 . . . . 0.0 111.037 -178.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.26 -4.82 58.76 Favored Glycine 0 CA--C 1.528 0.884 0 C-N-CA 124.567 1.08 . . . . 0.0 114.388 179.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 89.3 mt-10 -96.0 172.39 8.03 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 118.764 1.282 . . . . 0.0 112.284 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 67.7 m -141.2 160.49 39.99 Favored 'General case' 0 CA--C 1.528 0.126 0 N-CA-C 113.937 1.088 . . . . 0.0 113.937 -168.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.451 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 21.9 mm -132.96 155.34 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.159 0 C-N-CA 126.839 2.055 . . . . 0.0 108.12 177.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -129.24 144.21 51.14 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.407 1.083 . . . . 0.0 111.015 -177.385 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 30.4 mt -135.84 127.82 45.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.242 0 C-N-CA 123.769 0.828 . . . . 0.0 109.548 -178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.96 -131.24 48.54 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 -173.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -129.42 4.99 5.17 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 123.888 0.875 . . . . 0.0 112.723 174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 -121.37 -17.67 7.55 Favored 'General case' 0 N--CA 1.455 -0.194 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 -176.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 4.4 mp -112.35 135.83 50.48 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 119.071 0.85 . . . . 0.0 110.856 -171.548 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.7 m -131.28 143.17 50.35 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 124.437 1.095 . . . . 0.0 109.945 173.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.3 mm -122.08 143.92 33.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 125.166 1.386 . . . . 0.0 108.729 179.099 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 32.6 m -139.21 132.95 30.68 Favored 'General case' 0 N--CA 1.456 -0.152 0 C-N-CA 123.504 0.722 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.4 tp -84.56 98.88 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 171.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 1.6 mt -72.45 -28.89 63.22 Favored 'General case' 0 N--CA 1.456 -0.169 0 O-C-N 122.075 -0.39 . . . . 0.0 110.167 -174.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.525 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 174.61 -178.06 46.52 Favored Glycine 0 CA--C 1.526 0.721 0 C-N-CA 123.476 0.56 . . . . 0.0 113.259 169.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.22 146.94 32.3 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.801 0.84 . . . . 0.0 110.912 -174.526 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.9 m -138.02 63.45 1.54 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.776 1.23 . . . . 0.0 110.294 -169.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 72.53 -121.49 8.09 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.483 -0.647 . . . . 0.0 111.483 -176.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 23.3 tt0 -79.27 -5.67 54.93 Favored 'General case' 0 N--CA 1.454 -0.246 0 C-N-CA 123.097 0.559 . . . . 0.0 111.787 174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -98.99 157.67 16.17 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.665 0.745 . . . . 0.0 111.995 170.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 36.9 t -142.22 128.4 18.46 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.301 0 C-N-CA 125.903 1.681 . . . . 0.0 108.959 -168.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 58.6 ttt180 -109.44 101.95 10.87 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 123.362 0.665 . . . . 0.0 110.705 -174.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 22.4 mt -116.02 136.34 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 124.445 1.098 . . . . 0.0 110.474 -174.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.25 143.3 15.67 Favored Glycine 0 CA--C 1.525 0.696 0 C-N-CA 124.306 0.955 . . . . 0.0 111.831 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 5.1 mp -111.31 138.43 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 125.637 1.575 . . . . 0.0 108.308 173.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -127.22 75.03 1.55 Allowed 'General case' 0 N--CA 1.452 -0.367 0 C-N-CA 124.593 1.157 . . . . 0.0 109.161 178.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.27 154.39 42.91 Favored Pre-proline 0 N--CA 1.452 -0.327 0 C-N-CA 125.417 1.487 . . . . 0.0 110.582 174.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -72.46 155.49 55.18 Favored 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 122.529 2.153 . . . . 0.0 110.677 177.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.4 mtpt -68.54 -2.56 9.15 Favored 'General case' 0 N--CA 1.457 -0.12 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 178.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -65.92 -30.65 71.27 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 123.914 0.886 . . . . 0.0 111.26 169.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 10.5 m -119.99 144.01 29.94 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 122.025 0.916 . . . . 0.0 111.74 -177.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -78.09 143.02 37.72 Favored 'General case' 0 N--CA 1.451 -0.396 0 C-N-CA 124.327 1.051 . . . . 0.0 111.51 -174.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 24.7 t -129.38 116.33 38.9 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.15 0 C-N-CA 123.344 0.657 . . . . 0.0 109.381 169.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.444 ' CG ' HD11 ' A' ' 51' ' ' ILE . 70.7 m-70 -150.91 156.87 42.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 179.289 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.46 ' HA ' HD13 ' B' ' 12' ' ' ILE . 2.2 ptm85 -78.32 152.8 32.2 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 123.659 0.784 . . . . 0.0 112.074 173.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -66.85 -27.3 67.42 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 122.981 0.513 . . . . 0.0 112.124 -174.223 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 26.1 tt0 -68.12 -13.08 61.94 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.85 0.86 . . . . 0.0 112.574 175.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -125.46 -23.3 2.05 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 124.969 1.308 . . . . 0.0 111.048 -173.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 35.7 t80 -62.39 -31.0 71.61 Favored 'General case' 0 N--CA 1.453 -0.314 0 O-C-N 121.4 -0.812 . . . . 0.0 110.252 178.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 51.7 mt-30 -73.55 -12.05 60.64 Favored 'General case' 0 N--CA 1.451 -0.403 0 C-N-CA 123.811 0.844 . . . . 0.0 111.832 178.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -81.57 -33.74 31.46 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 124.483 1.113 . . . . 0.0 110.793 169.159 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.608 HG22 HE21 ' A' ' 52' ' ' GLN . 42.4 mt -65.46 -51.96 57.32 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 124.355 1.062 . . . . 0.0 109.007 178.029 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.608 HE21 HG22 ' A' ' 51' ' ' ILE . 77.8 mm-40 -83.94 5.12 26.68 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 123.562 0.745 . . . . 0.0 112.053 -174.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.57 -34.77 79.02 Favored 'General case' 0 N--CA 1.452 -0.365 0 C-N-CA 123.112 0.565 . . . . 0.0 111.972 173.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 169.78 31.26 0.02 OUTLIER Glycine 0 CA--C 1.525 0.671 0 CA-C-O 119.98 -0.344 . . . . 0.0 113.556 178.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.461 HD12 ' HA ' ' A' ' 51' ' ' ILE . 15.0 mt -116.18 -172.99 2.28 Favored 'General case' 0 N--CA 1.451 -0.381 0 C-N-CA 124.994 1.318 . . . . 0.0 108.217 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 27.0 p 53.72 28.09 7.72 Favored 'General case' 0 N--CA 1.456 -0.126 0 C-N-CA 124.964 1.306 . . . . 0.0 113.723 175.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -80.04 154.36 75.07 Favored Pre-proline 0 N--CA 1.452 -0.37 0 C-N-CA 123.882 0.873 . . . . 0.0 111.334 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.8 Cg_endo -72.17 160.82 46.33 Favored 'Trans proline' 0 N--CA 1.451 -0.984 0 C-N-CA 123.043 2.495 . . . . 0.0 112.063 177.678 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.3 t70 . . . . . 0 N--CA 1.451 -0.406 0 C-N-CA 124.692 1.197 . . . . 0.0 111.685 175.671 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 32.4 tpp . . . . . 0 N--CA 1.474 0.754 0 CA-C-O 119.397 -0.335 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -110.92 120.2 41.59 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.983 1.313 . . . . 0.0 107.801 169.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 53.3 mt -117.45 140.08 41.84 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -165.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 97.3 mt -132.74 135.4 45.72 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 124.576 1.15 . . . . 0.0 110.898 -179.782 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 28.4 m -105.22 104.39 14.11 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 108.142 -1.059 . . . . 0.0 108.142 169.57 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . . . . . . . . . 27.9 mtm-85 -112.63 173.14 6.52 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.829 1.252 . . . . 0.0 110.065 -170.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 51.5 pttt -114.7 166.96 11.18 Favored 'General case' 0 CA--C 1.519 -0.218 0 CA-C-N 118.182 0.446 . . . . 0.0 111.866 169.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -61.57 132.65 27.28 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 121.456 0.646 . . . . 0.0 111.178 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.75 -1.35 71.35 Favored Glycine 0 CA--C 1.526 0.735 0 CA-C-N 115.145 -0.934 . . . . 0.0 114.609 -174.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -76.68 159.74 29.96 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 119.251 1.525 . . . . 0.0 112.305 171.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 70.7 m -134.91 141.21 46.26 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 124.656 1.183 . . . . 0.0 110.548 -175.094 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 44' ' ' ARG . 41.2 mm -132.56 151.31 34.38 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.168 0 C-N-CA 125.951 1.7 . . . . 0.0 109.153 -172.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.3 m120 -126.95 143.06 51.39 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 124.283 1.033 . . . . 0.0 111.015 -176.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 66.6 mt -132.51 131.28 60.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 124.001 0.921 . . . . 0.0 109.631 176.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.19 -133.78 52.6 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 -174.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -129.08 5.03 5.31 Favored 'General case' 0 N--CA 1.454 -0.233 0 C-N-CA 123.701 0.801 . . . . 0.0 112.784 173.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -113.04 -19.29 11.94 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 113.291 0.849 . . . . 0.0 113.291 178.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -115.98 136.95 51.25 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 CA-C-N 119.015 0.825 . . . . 0.0 111.755 -168.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 53.5 m -131.66 149.84 52.35 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 124.87 1.268 . . . . 0.0 109.766 169.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 23.2 mm -132.0 144.64 36.61 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 C-N-CA 126.124 1.77 . . . . 0.0 108.345 -174.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 7.1 m -137.92 130.45 29.47 Favored 'General case' 0 N--CA 1.454 -0.23 0 C-N-CA 123.064 0.546 . . . . 0.0 110.297 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -84.78 103.39 11.92 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.191 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 169.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -73.68 -32.41 63.94 Favored 'General case' 0 N--CA 1.453 -0.296 0 O-C-N 122.126 -0.359 . . . . 0.0 110.649 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 163.25 176.66 35.48 Favored Glycine 0 C--N 1.335 0.499 0 N-CA-C 112.315 -0.314 . . . . 0.0 112.315 172.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -106.03 146.23 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.283 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 173.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 75.8 m -120.18 75.28 1.09 Allowed 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 108.403 -0.962 . . . . 0.0 108.403 169.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.62 -118.41 4.74 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.64 -174.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.17 8.29 43.48 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.323 0.649 . . . . 0.0 111.045 173.437 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 19.5 mt-30 -98.99 160.16 14.46 Favored 'General case' 0 N--CA 1.447 -0.596 0 C-N-CA 124.147 0.979 . . . . 0.0 110.334 170.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 t -142.92 115.0 3.04 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.34 1.056 . . . . 0.0 109.421 -168.065 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -91.15 120.72 32.32 Favored 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 125.267 1.427 . . . . 0.0 109.635 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.8 mt -128.4 130.01 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.183 0 C-N-CA 124.215 1.006 . . . . 0.0 110.258 -169.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -95.44 141.56 15.63 Favored Glycine 0 C--N 1.335 0.527 0 N-CA-C 111.569 -0.613 . . . . 0.0 111.569 170.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 43.7 mt -126.59 132.15 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 C-N-CA 123.756 0.823 . . . . 0.0 109.201 177.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 32.5 t-20 -132.85 74.9 1.6 Allowed 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.327 -168.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -117.54 156.8 48.93 Favored Pre-proline 0 N--CA 1.449 -0.48 0 CA-C-N 113.938 -1.483 . . . . 0.0 109.22 172.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 34.2 Cg_endo -57.0 153.49 37.96 Favored 'Trans proline' 0 N--CA 1.447 -1.245 0 C-N-CA 121.744 1.629 . . . . 0.0 110.882 169.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 19.6 mmtp -68.19 -0.81 5.04 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 123.271 0.628 . . . . 0.0 112.14 171.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -65.86 -27.31 68.13 Favored 'General case' 0 N--CA 1.454 -0.239 0 C-N-CA 125.929 1.691 . . . . 0.0 112.428 170.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m -109.32 144.11 18.24 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.231 0 C-N-CA 124.315 1.046 . . . . 0.0 110.567 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.92 141.55 30.31 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 121.589 0.709 . . . . 0.0 112.055 170.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 17.4 t -145.81 101.77 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.328 0 CA-C-N 114.724 -1.125 . . . . 0.0 109.294 -166.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.482 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.1 OUTLIER -147.98 166.86 26.43 Favored 'General case' 0 C--N 1.338 0.081 0 C-N-CA 123.605 0.762 . . . . 0.0 111.155 -179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.451 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 13.8 ptt180 -70.52 159.92 33.41 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 123.555 0.742 . . . . 0.0 112.015 169.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -53.39 -45.22 69.21 Favored 'General case' 0 C--O 1.23 0.067 0 C-N-CA 123.667 0.787 . . . . 0.0 112.433 -176.546 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 pm0 -69.15 -3.33 13.03 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 9.9 mm -107.29 -49.07 8.16 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 C-N-CA 124.417 1.087 . . . . 0.0 110.434 170.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -46.04 -43.6 14.61 Favored 'General case' 0 N--CA 1.449 -0.479 0 C-N-CA 124.609 1.164 . . . . 0.0 111.037 -178.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 72.0 mt-30 -64.14 -15.46 59.81 Favored 'General case' 0 N--CA 1.455 -0.21 0 C-N-CA 125.071 1.349 . . . . 0.0 113.967 -169.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.551 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.6 mpt_? -91.15 -31.65 16.13 Favored 'General case' 0 N--CA 1.456 -0.149 0 CA-C-N 118.877 0.762 . . . . 0.0 111.755 175.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 21.8 mt -71.78 -62.09 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 124.467 1.107 . . . . 0.0 112.911 -166.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.81 0.48 2.39 Favored 'General case' 0 N--CA 1.453 -0.304 0 O-C-N 121.774 -0.579 . . . . 0.0 112.543 174.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -71.72 -18.83 62.12 Favored 'General case' 0 N--CA 1.451 -0.378 0 C-N-CA 123.384 0.674 . . . . 0.0 111.855 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 144.39 31.9 0.09 OUTLIER Glycine 0 CA--C 1.526 0.725 0 CA-C-O 119.132 -0.815 . . . . 0.0 114.931 168.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 pp -168.45 -173.02 1.84 Allowed 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 118.494 1.147 . . . . 0.0 112.705 -167.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 40.2 p -134.67 -168.41 2.15 Favored 'General case' 0 N--CA 1.457 -0.082 0 C-N-CA 124.923 1.289 . . . . 0.0 109.965 169.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -41.27 120.91 1.98 Allowed Pre-proline 0 N--CA 1.454 -0.269 0 C-N-CA 124.234 1.014 . . . . 0.0 111.082 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -62.96 161.53 29.19 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 121.786 1.657 . . . . 0.0 114.498 -168.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 24.3 t70 . . . . . 0 N--CA 1.454 -0.262 0 C-N-CA 125.788 1.635 . . . . 0.0 113.352 -175.571 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 29.9 tpp . . . . . 0 N--CA 1.475 0.794 0 CA-C-O 118.794 -0.622 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -109.76 109.88 20.72 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 124.157 0.983 . . . . 0.0 108.394 169.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.6 mp -84.49 136.2 23.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 C-N-CA 123.733 0.813 . . . . 0.0 109.797 176.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.3 mt -130.72 134.95 47.33 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 124.161 0.984 . . . . 0.0 109.912 170.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 26.3 p -85.9 144.13 27.83 Favored 'General case' 0 N--CA 1.453 -0.297 0 N-CA-C 108.857 -0.794 . . . . 0.0 108.857 167.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . 0.441 ' HD3' HG13 ' C' ' 12' ' ' ILE . 24.8 ttp180 -145.68 140.17 27.09 Favored 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 122.544 0.338 . . . . 0.0 110.381 -178.801 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.437 ' HE2' ' OP2' ' G' ' 4' ' ' ' C' . 18.4 ttpp -109.52 148.88 30.46 Favored 'General case' 0 C--N 1.333 -0.134 0 N-CA-C 108.663 -0.866 . . . . 0.0 108.663 -175.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 5.9 m -53.09 135.54 14.85 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.106 0 N-CA-C 113.502 0.927 . . . . 0.0 113.502 -168.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.52 -8.2 77.16 Favored Glycine 0 CA--C 1.529 0.953 0 C-N-CA 125.563 1.554 . . . . 0.0 114.351 -177.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -85.52 -177.77 6.51 Favored 'General case' 0 CA--C 1.532 0.263 0 CA-C-N 119.304 1.552 . . . . 0.0 112.457 179.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 67.4 m -148.39 160.49 42.97 Favored 'General case' 0 C--N 1.339 0.149 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 -167.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . 0.441 HG13 ' HD3' ' C' ' 6' ' ' ARG . 57.7 mt -138.4 156.18 29.6 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.134 0 C-N-CA 127.413 2.285 . . . . 0.0 108.922 179.863 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 21.7 m120 -126.52 146.66 50.04 Favored 'General case' 0 N--CA 1.454 -0.257 0 C-N-CA 125.047 1.339 . . . . 0.0 111.215 177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 56.8 mt -133.17 133.81 58.04 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.288 1.035 . . . . 0.0 108.908 172.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 56.22 -135.02 50.3 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 -169.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -127.65 10.06 6.57 Favored 'General case' 0 N--CA 1.454 -0.274 0 C-N-CA 123.886 0.874 . . . . 0.0 112.255 169.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -117.6 -14.87 10.23 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 124.022 0.929 . . . . 0.0 113.179 -178.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.2 mp -117.44 135.29 58.31 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.904 0.774 . . . . 0.0 110.698 -172.777 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 28.7 m -132.71 146.3 51.74 Favored 'General case' 0 N--CA 1.455 -0.193 0 C-N-CA 125.227 1.411 . . . . 0.0 108.776 174.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 8.0 mt -137.14 140.59 42.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 C-N-CA 123.356 0.663 . . . . 0.0 109.474 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 14.2 m -124.91 135.65 53.05 Favored 'General case' 0 N--CA 1.455 -0.186 0 C-N-CA 124.145 0.978 . . . . 0.0 110.638 -175.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tp -85.86 109.16 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 N-CA-C 108.155 -1.054 . . . . 0.0 108.155 168.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . . . . . . . . . 7.0 mt -85.46 -35.45 21.22 Favored 'General case' 0 N--CA 1.452 -0.343 0 O-C-N 121.868 -0.52 . . . . 0.0 109.733 -172.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . 171.32 -173.12 44.78 Favored Glycine 0 C--N 1.336 0.564 0 C-N-CA 121.979 -0.153 . . . . 0.0 112.906 168.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.8 m -110.85 158.39 11.33 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.061 0.544 . . . . 0.0 110.765 170.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 2.3 m -138.79 67.8 1.39 Allowed 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.053 1.341 . . . . 0.0 108.529 -179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.03 -110.36 3.02 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 109.76 -1.336 . . . . 0.0 109.76 -168.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -95.2 -9.64 32.76 Favored 'General case' 0 N--CA 1.454 -0.273 0 C-N-CA 124.191 0.996 . . . . 0.0 112.103 174.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 52.3 mt-30 -74.3 158.08 34.65 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.868 0.842 . . . . 0.0 111.882 169.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 42.4 t -133.97 114.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.505 0 N-CA-C 106.487 -1.672 . . . . 0.0 106.487 177.054 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -79.4 112.38 16.58 Favored 'General case' 0 N--CA 1.455 -0.213 0 N-CA-C 108.96 -0.756 . . . . 0.0 108.96 170.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 10.6 mt -115.83 133.38 62.42 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.155 0 C-N-CA 124.917 1.287 . . . . 0.0 109.255 -178.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -110.41 126.64 7.97 Favored Glycine 0 CA--C 1.523 0.546 0 C-N-CA 123.611 0.624 . . . . 0.0 111.759 174.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 52.2 mt -107.87 123.82 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.175 0 C-N-CA 124.36 1.064 . . . . 0.0 108.73 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -115.37 97.15 6.01 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 123.982 0.913 . . . . 0.0 109.972 177.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.8 154.79 80.66 Favored Pre-proline 0 N--CA 1.453 -0.316 0 C-N-CA 124.009 0.924 . . . . 0.0 110.029 175.051 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -60.31 155.13 48.08 Favored 'Trans proline' 0 N--CA 1.453 -0.904 0 C-N-CA 122.882 2.388 . . . . 0.0 111.298 173.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . 0.568 ' HE2' ' N3 ' ' G' ' 65' ' ' ' G' . 0.0 OUTLIER -70.59 -0.94 9.62 Favored 'General case' 0 CA--C 1.527 0.063 0 O-C-N 121.986 -0.446 . . . . 0.0 111.553 175.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -65.86 -23.72 66.72 Favored 'General case' 0 N--CA 1.453 -0.318 0 C-N-CA 124.867 1.267 . . . . 0.0 111.689 171.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 8.0 m -120.56 147.46 24.33 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.222 0 C-N-CA 123.913 0.885 . . . . 0.0 110.559 175.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.96 153.9 21.86 Favored 'General case' 0 N--CA 1.451 -0.391 0 C-N-CA 122.607 0.363 . . . . 0.0 111.281 175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 14.0 m -135.48 138.75 47.8 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.147 0 C-N-CA 122.996 0.518 . . . . 0.0 109.793 169.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 99.6 m-70 -155.49 156.37 35.11 Favored 'General case' 0 N--CA 1.455 -0.187 0 C-N-CA 123.758 0.823 . . . . 0.0 110.594 -176.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -67.02 156.0 37.17 Favored 'General case' 0 N--CA 1.456 -0.153 0 N-CA-C 108.049 -1.093 . . . . 0.0 108.049 166.349 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 29.3 tt0 -62.68 -29.99 71.06 Favored 'General case' 0 N--CA 1.456 -0.169 0 CA-C-N 118.94 0.791 . . . . 0.0 111.285 -179.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 pt-20 -67.79 -24.03 65.27 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.178 0.991 . . . . 0.0 113.518 175.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 51.0 mm -95.25 -36.68 6.96 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.115 0 C-N-CA 123.544 0.738 . . . . 0.0 110.617 174.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 90.1 t80 -53.88 -35.45 61.58 Favored 'General case' 0 N--CA 1.454 -0.271 0 C-N-CA 124.555 1.142 . . . . 0.0 112.073 -176.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -62.14 -24.41 67.15 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 123.322 0.649 . . . . 0.0 112.612 179.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 60.3 ttt85 -71.3 -39.77 71.26 Favored 'General case' 0 N--CA 1.456 -0.154 0 C-N-CA 123.251 0.62 . . . . 0.0 111.793 171.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . . . . . . . . . 2.7 mp -65.48 -21.92 30.06 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.357 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 82.4 mm-40 -93.61 -5.79 47.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.88 0.872 . . . . 0.0 112.895 174.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.3 -19.09 34.34 Favored 'General case' 0 N--CA 1.453 -0.278 0 C-N-CA 123.983 0.913 . . . . 0.0 112.275 178.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 95.63 136.43 8.68 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 123.947 0.784 . . . . 0.0 111.361 -176.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -151.75 164.41 37.05 Favored 'General case' 0 N--CA 1.454 -0.265 0 C-N-CA 124.239 1.015 . . . . 0.0 111.294 -172.496 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 40.3 p -97.51 -9.41 27.17 Favored 'General case' 0 N--CA 1.456 -0.141 0 C-N-CA 123.808 0.843 . . . . 0.0 112.558 179.837 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.64 91.09 16.13 Favored Pre-proline 0 N--CA 1.452 -0.332 0 C-N-CA 124.109 0.964 . . . . 0.0 110.537 177.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -58.95 -39.37 81.56 Favored 'Trans proline' 0 N--CA 1.454 -0.84 0 C-N-CA 123.656 2.904 . . . . 0.0 112.631 172.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 36.8 t70 . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 124.552 1.141 . . . . 0.0 110.828 -169.683 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.521 ' HG2' HD11 ' D' ' 3' ' ' ILE . 2.5 tpp . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 108.928 -0.767 . . . . 0.0 108.928 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -109.97 107.08 16.85 Favored 'General case' 0 N--CA 1.451 -0.404 0 C-N-CA 124.102 0.961 . . . . 0.0 109.769 174.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . 0.521 HD11 ' HG2' ' D' ' 1' ' ' MET . 4.7 mp -98.21 142.36 14.69 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.278 0 C-N-CA 124.922 1.289 . . . . 0.0 110.161 -177.508 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 92.3 mt -140.81 164.94 28.87 Favored 'General case' 0 N--CA 1.455 -0.191 0 C-N-CA 125.312 1.445 . . . . 0.0 111.612 -175.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 4.7 p -117.78 116.84 27.8 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 164.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.494 ' HG3' HD11 ' D' ' 12' ' ' ILE . 0.9 OUTLIER -119.38 142.56 48.07 Favored 'General case' 0 N--CA 1.454 -0.263 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 169.16 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 22.8 mtmt -92.7 163.99 13.55 Favored 'General case' 0 N--CA 1.454 -0.233 0 O-C-N 122.919 0.137 . . . . 0.0 110.934 174.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . 0.544 HG11 HG12 ' D' ' 25' ' ' VAL . 27.6 m -49.67 139.18 4.57 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 N-CA-C 112.415 0.524 . . . . 0.0 112.415 178.629 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.44 -3.03 85.3 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 124.208 0.909 . . . . 0.0 114.125 176.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -91.77 173.41 7.89 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 118.676 1.238 . . . . 0.0 112.788 -179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 63.0 m -139.08 164.49 29.64 Favored 'General case' 0 N--CA 1.455 -0.194 0 C-N-CA 123.748 0.819 . . . . 0.0 112.768 -173.114 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . 0.494 HD11 ' HG3' ' D' ' 6' ' ' ARG . 5.9 mt -153.24 163.2 1.99 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.554 2.341 . . . . 0.0 108.215 -169.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -141.09 150.3 42.72 Favored 'General case' 0 N--CA 1.456 -0.13 0 C-N-CA 124.516 1.126 . . . . 0.0 112.237 -175.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 63.1 mt -136.81 136.83 47.79 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.233 0 C-N-CA 125.07 1.348 . . . . 0.0 108.958 176.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.85 -135.79 51.43 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 -175.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -123.46 3.79 9.04 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.81 0.844 . . . . 0.0 112.243 174.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 20.3 m-20 -131.06 -4.95 3.92 Favored 'General case' 0 N--CA 1.456 -0.154 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 -172.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.77 136.33 56.3 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 CA-C-N 118.762 0.71 . . . . 0.0 110.639 -174.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 29.2 m -131.27 145.99 52.12 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 124.77 1.228 . . . . 0.0 109.719 178.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 18.6 mm -128.46 144.79 36.82 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 125.021 1.328 . . . . 0.0 108.438 179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 33.4 m -137.13 130.97 31.97 Favored 'General case' 0 N--CA 1.456 -0.15 0 C-N-CA 123.861 0.864 . . . . 0.0 109.166 178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -86.56 108.87 18.26 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.424 0 N-CA-C 107.935 -1.135 . . . . 0.0 107.935 170.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 47.7 mt -81.95 -31.55 31.2 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 123.283 0.633 . . . . 0.0 110.774 -171.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 172.79 -178.86 44.62 Favored Glycine 0 CA--C 1.524 0.612 0 CA-C-O 121.03 0.239 . . . . 0.0 113.116 170.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . 0.544 HG12 HG11 ' D' ' 8' ' ' VAL . 7.3 p -125.31 137.15 58.57 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.253 0 C-N-CA 124.536 1.135 . . . . 0.0 109.764 177.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -138.31 75.73 1.54 Allowed 'General case' 0 N--CA 1.454 -0.272 0 C-N-CA 125.014 1.326 . . . . 0.0 109.991 -169.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 77.95 -119.83 5.32 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.345 -0.702 . . . . 0.0 111.345 -176.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -80.83 -16.47 53.62 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 124.373 1.069 . . . . 0.0 110.489 174.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -88.9 158.95 17.9 Favored 'General case' 0 N--CA 1.45 -0.468 0 CA-C-O 122.298 1.047 . . . . 0.0 112.561 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 61.6 t -137.65 120.96 20.89 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.492 0 C-N-CA 126.207 1.803 . . . . 0.0 106.878 -178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.6 ttm180 -94.95 113.04 24.71 Favored 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 123.857 0.863 . . . . 0.0 108.787 -176.078 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.3 mt -120.63 126.43 75.23 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 123.539 0.736 . . . . 0.0 110.711 -168.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -93.12 140.6 15.15 Favored Glycine 0 CA--C 1.524 0.602 0 C-N-CA 124.039 0.828 . . . . 0.0 111.16 172.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 68.4 mt -129.28 142.21 44.58 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 C-N-CA 123.927 0.891 . . . . 0.0 108.703 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 50.5 t-20 -138.06 105.93 5.66 Favored 'General case' 0 N--CA 1.451 -0.411 0 C-N-CA 123.295 0.638 . . . . 0.0 109.296 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.06 155.23 74.56 Favored Pre-proline 0 N--CA 1.451 -0.41 0 C-N-CA 124.187 0.995 . . . . 0.0 109.344 176.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 33.3 Cg_endo -60.64 151.51 75.47 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.133 1.888 . . . . 0.0 110.514 169.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -65.42 -0.92 2.11 Favored 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 112.345 0.498 . . . . 0.0 112.345 169.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -65.86 -19.94 66.06 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.971 1.308 . . . . 0.0 111.3 169.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 6.4 m -131.12 157.25 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.297 0 C-N-CA 124.582 1.153 . . . . 0.0 110.508 176.419 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -93.38 156.99 16.46 Favored 'General case' 0 N--CA 1.451 -0.418 0 C-N-CA 122.964 0.506 . . . . 0.0 111.942 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -148.41 128.88 4.73 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.098 0 C-N-CA 122.876 0.47 . . . . 0.0 110.499 169.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 -153.47 167.26 30.07 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 123.445 0.698 . . . . 0.0 112.087 176.492 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 38.9 mtm180 -66.37 161.28 22.88 Favored 'General case' 0 C--O 1.227 -0.115 0 C-N-CA 122.896 0.479 . . . . 0.0 109.967 168.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -62.63 -39.04 92.56 Favored 'General case' 0 CA--C 1.529 0.145 0 O-C-N 121.784 -0.573 . . . . 0.0 112.183 -176.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -54.09 -45.57 71.84 Favored 'General case' 0 N--CA 1.457 -0.09 0 C-N-CA 123.556 0.743 . . . . 0.0 111.266 171.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . 0.465 HG23 ' C6 ' ' G' ' 7' ' ' ' C' . 19.2 mm -79.92 -40.76 20.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.404 0 C-N-CA 124.276 1.03 . . . . 0.0 110.86 -169.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 28.5 t80 -49.24 -36.19 19.61 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 125.023 1.329 . . . . 0.0 111.988 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 79.2 mt-30 -63.86 -22.24 66.82 Favored 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 124.268 1.027 . . . . 0.0 113.015 -179.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -83.3 -31.94 26.6 Favored 'General case' 0 N--CA 1.456 -0.166 0 CA-C-N 119.709 1.14 . . . . 0.0 110.752 -176.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.703 ' N ' HD12 ' D' ' 51' ' ' ILE . 2.8 mp -83.03 -18.98 10.24 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.177 0 C-N-CA 125.559 1.544 . . . . 0.0 110.273 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -105.03 -17.39 14.51 Favored 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 125.119 1.367 . . . . 0.0 113.535 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -95.39 -48.4 5.88 Favored 'General case' 0 N--CA 1.456 -0.162 0 CA-C-N 119.112 0.869 . . . . 0.0 112.668 178.31 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -134.03 -2.76 3.35 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 123.452 0.548 . . . . 0.0 113.456 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.465 ' HA ' ' HA ' ' D' ' 51' ' ' ILE . 0.0 OUTLIER 65.64 54.18 1.12 Allowed 'General case' 0 N--CA 1.45 -0.428 0 C-N-CA 125.561 1.544 . . . . 0.0 110.991 166.496 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . 0.474 HG21 ' H42' ' G' ' 7' ' ' ' C' . 22.0 m -73.52 -27.61 61.45 Favored 'General case' 0 N--CA 1.454 -0.243 0 N-CA-C 113.629 0.974 . . . . 0.0 113.629 -168.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . 0.535 ' HB3' ' O2 ' ' G' ' 7' ' ' ' C' . . . -127.73 88.67 52.85 Favored Pre-proline 0 N--CA 1.453 -0.283 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 168.593 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_exo -64.38 177.18 2.23 Favored 'Trans proline' 0 N--CA 1.455 -0.793 0 C-N-CA 123.751 2.967 . . . . 0.0 114.536 -170.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 21.6 t0 . . . . . 0 N--CA 1.453 -0.283 0 C-N-CA 125.09 1.356 . . . . 0.0 112.519 -175.708 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 20.2 ttt . . . . . 0 N--CA 1.474 0.77 0 N-CA-C 110.505 -0.183 . . . . 0.0 110.505 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 5.9 tt -127.49 122.87 34.57 Favored 'General case' 0 N--CA 1.455 -0.18 0 C-N-CA 124.053 0.941 . . . . 0.0 109.54 -179.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 32.3 mm -106.68 138.36 32.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 C-N-CA 124.304 1.042 . . . . 0.0 109.841 -177.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 64.3 mt -137.46 165.03 27.25 Favored 'General case' 0 N--CA 1.454 -0.245 0 C-N-CA 124.91 1.284 . . . . 0.0 111.567 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.1 105.99 7.36 Favored 'General case' 0 N--CA 1.453 -0.284 0 N-CA-C 108.104 -1.073 . . . . 0.0 108.104 166.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -114.38 126.72 55.31 Favored 'General case' 0 N--CA 1.454 -0.24 0 C-N-CA 125.562 1.545 . . . . 0.0 109.722 -171.375 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -91.47 165.77 13.2 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 119.741 1.155 . . . . 0.0 112.387 173.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.1 m -57.95 138.99 18.18 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.179 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.392 -173.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 86.57 -3.21 87.23 Favored Glycine 0 CA--C 1.527 0.814 0 C-N-CA 123.889 0.757 . . . . 0.0 114.097 179.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . . . . . . . . . 61.0 mt-10 -92.39 172.65 8.25 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 118.6 1.2 . . . . 0.0 111.334 173.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 63.3 m -139.94 165.67 26.71 Favored 'General case' 0 N--CA 1.456 -0.149 0 N-CA-C 113.156 0.799 . . . . 0.0 113.156 -169.427 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 83.1 mt -149.99 156.94 6.54 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.154 0 C-N-CA 127.369 2.268 . . . . 0.0 107.964 -169.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -137.9 152.33 48.9 Favored 'General case' 0 N--CA 1.455 -0.185 0 O-C-N 121.465 -0.772 . . . . 0.0 113.076 -177.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 34.3 mt -137.23 142.26 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.243 0 C-N-CA 124.775 1.23 . . . . 0.0 108.878 179.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 59.36 -137.83 49.79 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.533 -0.627 . . . . 0.0 111.533 -176.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -125.58 10.01 7.8 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 123.75 0.82 . . . . 0.0 111.657 172.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -136.57 -4.97 2.01 Favored 'General case' 0 CA--C 1.529 0.154 0 N-CA-C 113.407 0.892 . . . . 0.0 113.407 -173.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -116.53 137.12 51.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-N 118.981 0.81 . . . . 0.0 110.848 -173.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 40.4 m -129.11 144.38 51.18 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 124.678 1.191 . . . . 0.0 109.945 177.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 21.8 mm -127.91 138.54 54.41 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.316 0 C-N-CA 125.122 1.369 . . . . 0.0 108.327 178.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 55.1 m -134.15 130.55 37.48 Favored 'General case' 0 N--CA 1.456 -0.14 0 C-N-CA 123.185 0.594 . . . . 0.0 109.908 175.62 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 1.5 tp -82.32 103.26 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 N-CA-C 108.616 -0.883 . . . . 0.0 108.616 172.456 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 18.9 mt -72.35 -30.01 64.32 Favored 'General case' 0 N--CA 1.454 -0.24 0 O-C-N 122.024 -0.423 . . . . 0.0 111.22 -174.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 157.53 -172.6 34.89 Favored Glycine 0 CA--C 1.527 0.835 0 C-N-CA 123.181 0.419 . . . . 0.0 113.639 169.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 11.4 m -117.83 156.25 19.48 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.087 0 C-N-CA 123.801 0.84 . . . . 0.0 112.0 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 67.7 m -143.27 89.92 2.13 Favored 'General case' 0 N--CA 1.454 -0.259 0 C-N-CA 125.126 1.37 . . . . 0.0 108.88 169.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 64.43 -111.95 4.59 Favored Glycine 0 CA--C 1.526 0.744 0 O-C-N 121.587 -0.695 . . . . 0.0 111.531 -173.382 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 17.8 mm100 -91.28 -21.06 21.26 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 117.611 0.705 . . . . 0.0 111.806 174.155 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 30.7 mm-40 -71.35 146.94 48.49 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.204 0.526 . . . . 0.0 110.174 178.213 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 39.5 t -136.76 117.39 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.354 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -175.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 28.9 ttt180 -87.63 126.59 35.04 Favored 'General case' 0 N--CA 1.453 -0.318 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 -179.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.64 133.36 59.54 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.207 0 C-N-CA 123.379 0.672 . . . . 0.0 110.549 -168.103 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -102.57 139.26 14.35 Favored Glycine 0 CA--C 1.525 0.687 0 C-N-CA 124.436 1.017 . . . . 0.0 111.111 171.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 63.1 mt -133.23 127.85 54.93 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.257 0 C-N-CA 124.853 1.261 . . . . 0.0 108.736 -177.264 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -131.23 98.9 4.68 Favored 'General case' 0 N--CA 1.449 -0.509 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 -172.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.96 154.16 81.94 Favored Pre-proline 0 N--CA 1.452 -0.355 0 C-N-CA 124.895 1.278 . . . . 0.0 109.515 175.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -57.05 151.59 49.3 Favored 'Trans proline' 0 N--CA 1.448 -1.152 0 C-N-CA 121.943 1.762 . . . . 0.0 111.528 173.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 20.3 mmtp -66.98 -5.26 12.09 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 124.078 0.951 . . . . 0.0 111.922 177.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -66.81 -28.25 68.22 Favored 'General case' 0 N--CA 1.454 -0.269 0 C-N-CA 126.573 1.949 . . . . 0.0 112.769 173.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m -113.57 163.58 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.136 0 C-N-CA 123.894 0.878 . . . . 0.0 110.627 -177.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -95.36 153.91 17.45 Favored 'General case' 0 N--CA 1.451 -0.389 0 N-CA-C 112.4 0.519 . . . . 0.0 112.4 178.527 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -154.99 126.47 0.92 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.156 0 C-N-CA 123.305 0.642 . . . . 0.0 110.486 169.691 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 -151.77 169.19 22.83 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.494 1.118 . . . . 0.0 109.684 173.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 31.8 ptt-85 -80.03 165.66 22.33 Favored 'General case' 0 N--CA 1.454 -0.235 0 O-C-N 121.604 -0.685 . . . . 0.0 110.342 169.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -60.46 -28.39 68.28 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 122.927 0.491 . . . . 0.0 112.153 -170.728 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -60.2 -44.32 95.23 Favored 'General case' 0 N--CA 1.455 -0.207 0 C-N-CA 124.241 1.016 . . . . 0.0 112.355 173.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 20.1 mm -88.12 -28.38 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.275 0 C-N-CA 123.66 0.784 . . . . 0.0 110.02 -170.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . . . . . . . . . 63.8 t80 -53.43 -35.61 60.65 Favored 'General case' 0 N--CA 1.453 -0.309 0 C-N-CA 123.888 0.875 . . . . 0.0 112.154 172.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 80.7 mt-30 -69.66 -21.8 63.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 -176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -68.81 -26.13 65.02 Favored 'General case' 0 C--N 1.338 0.104 0 CA-C-N 118.797 0.726 . . . . 0.0 110.599 174.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . . . . . . . . . 40.7 mt -90.6 -39.68 12.12 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.355 0 C-N-CA 124.48 1.112 . . . . 0.0 109.925 -173.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -75.8 3.09 10.6 Favored 'General case' 0 N--CA 1.455 -0.222 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 177.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.58 -5.63 25.69 Favored 'General case' 0 N--CA 1.453 -0.303 0 C-N-CA 124.358 1.063 . . . . 0.0 113.318 177.089 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . . . . . . . . . . . 134.53 26.78 0.52 Allowed Glycine 0 CA--C 1.525 0.692 0 CA-C-O 119.462 -0.632 . . . . 0.0 113.719 171.203 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . . . . . . . . . 2.8 pp -151.53 28.47 0.63 Allowed 'General case' 0 N--CA 1.454 -0.253 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 -168.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . . . . . . . . . 3.2 m -62.89 -23.91 67.57 Favored 'General case' 0 N--CA 1.454 -0.258 0 O-C-N 121.418 -0.801 . . . . 0.0 111.249 178.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.95 99.13 32.29 Favored Pre-proline 0 N--CA 1.453 -0.321 0 C-N-CA 124.834 1.254 . . . . 0.0 108.396 167.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -65.08 177.12 2.63 Favored 'Trans proline' 0 N--CA 1.454 -0.848 0 C-N-CA 123.128 2.552 . . . . 0.0 113.618 -176.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 25.0 t0 . . . . . 0 N--CA 1.453 -0.303 0 C-N-CA 124.161 0.984 . . . . 0.0 111.945 176.829 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.474 0.771 0 CA-C-O 120.461 0.172 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 5.3 mt -98.08 146.89 25.09 Favored 'General case' 0 N--CA 1.451 -0.425 0 C-N-CA 123.149 0.58 . . . . 0.0 110.953 177.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -125.8 135.67 63.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 123.467 0.707 . . . . 0.0 109.25 171.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -130.48 164.84 23.94 Favored 'General case' 0 N--CA 1.452 -0.355 0 C-N-CA 124.979 1.312 . . . . 0.0 110.619 179.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.82 101.88 5.64 Favored 'General case' 0 N--CA 1.455 -0.199 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 168.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . 0.42 ' HG3' HD11 ' F' ' 12' ' ' ILE . 0.8 OUTLIER -115.04 140.92 48.66 Favored 'General case' 0 N--CA 1.457 -0.12 0 C-N-CA 124.409 1.084 . . . . 0.0 111.033 -177.486 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -92.55 172.84 8.11 Favored 'General case' 0 N--CA 1.457 -0.111 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 177.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 9.0 m -60.66 139.49 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.315 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.93 -2.14 87.78 Favored Glycine 0 CA--C 1.526 0.774 0 C-N-CA 123.97 0.795 . . . . 0.0 113.868 -178.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -88.29 173.19 8.91 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 118.585 1.193 . . . . 0.0 112.112 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 68.2 m -137.41 153.99 50.05 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.782 0.833 . . . . 0.0 112.144 -173.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . 0.42 HD11 ' HG3' ' F' ' 6' ' ' ARG . 26.3 mt -140.87 151.18 20.27 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.122 0 C-N-CA 125.687 1.595 . . . . 0.0 108.609 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m-80 -125.86 147.1 49.55 Favored 'General case' 0 N--CA 1.456 -0.149 0 C-N-CA 123.781 0.832 . . . . 0.0 111.576 -173.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 54.1 mt -134.75 137.46 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.196 0 C-N-CA 124.414 1.086 . . . . 0.0 109.187 173.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.57 -135.0 52.14 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 -173.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -128.71 10.07 6.01 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.063 0.945 . . . . 0.0 112.34 171.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -128.12 -15.78 4.66 Favored 'General case' 0 CA--C 1.529 0.141 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 -178.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 4.8 mp -107.78 133.73 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 CA-C-N 119.07 0.85 . . . . 0.0 110.525 -172.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 21.5 m -128.76 142.63 50.93 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 124.017 0.927 . . . . 0.0 110.5 177.525 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 26.1 mm -121.46 140.34 45.82 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.285 0 C-N-CA 125.32 1.448 . . . . 0.0 108.615 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 8.2 m -133.61 131.83 40.08 Favored 'General case' 0 N--CA 1.455 -0.182 0 C-N-CA 123.591 0.756 . . . . 0.0 109.844 178.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 1.7 tp -89.95 114.77 28.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.304 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 170.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 11.1 mt -86.07 -27.75 24.52 Favored 'General case' 0 N--CA 1.454 -0.256 0 C-N-CA 123.032 0.533 . . . . 0.0 111.111 -174.243 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.87 -171.95 34.42 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 113.898 0.319 . . . . 0.0 113.898 170.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 5.6 m -124.52 159.65 30.3 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.075 0 C-N-CA 123.623 0.769 . . . . 0.0 112.221 179.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.3 t -149.51 90.06 1.69 Allowed 'General case' 0 N--CA 1.453 -0.282 0 C-N-CA 124.916 1.286 . . . . 0.0 109.074 169.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.27 -111.72 3.95 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -174.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -91.14 -21.82 20.99 Favored 'General case' 0 N--CA 1.455 -0.184 0 CA-C-N 117.454 0.627 . . . . 0.0 111.722 174.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 30.8 mm-40 -73.36 142.36 47.04 Favored 'General case' 0 N--CA 1.45 -0.462 0 C-N-CA 123.164 0.586 . . . . 0.0 110.099 -178.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 43.0 t -133.33 114.91 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.372 0 N-CA-C 107.243 -1.392 . . . . 0.0 107.243 -176.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -85.71 126.16 33.75 Favored 'General case' 0 N--CA 1.452 -0.369 0 N-CA-C 109.465 -0.569 . . . . 0.0 109.465 -178.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -132.31 143.42 39.99 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.066 0.947 . . . . 0.0 110.183 -168.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.41 140.6 15.88 Favored Glycine 0 CA--C 1.525 0.711 0 C-N-CA 124.149 0.881 . . . . 0.0 111.527 172.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 54.1 mt -126.48 135.7 62.97 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 C-N-CA 124.603 1.161 . . . . 0.0 109.351 -179.239 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 53.5 t-20 -132.91 106.35 7.65 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.642 0.777 . . . . 0.0 109.744 -178.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.38 158.68 75.07 Favored Pre-proline 0 N--CA 1.453 -0.287 0 C-N-CA 123.993 0.917 . . . . 0.0 111.364 178.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -64.4 162.03 32.24 Favored 'Trans proline' 0 N--CA 1.452 -0.957 0 C-N-CA 123.04 2.493 . . . . 0.0 112.329 174.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -67.74 -4.54 12.64 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 112.827 0.677 . . . . 0.0 112.827 169.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -65.8 -23.01 66.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 C-N-CA 125.356 1.463 . . . . 0.0 112.328 173.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 15.5 m -127.68 163.62 30.75 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.205 0 C-N-CA 124.226 1.01 . . . . 0.0 111.305 -174.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -94.58 163.42 13.39 Favored 'General case' 0 N--CA 1.453 -0.297 0 C-N-CA 123.311 0.644 . . . . 0.0 111.262 169.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.7 p -155.08 130.11 1.52 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.235 0 C-N-CA 123.45 0.7 . . . . 0.0 110.216 171.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -153.13 170.77 19.68 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 124.15 0.98 . . . . 0.0 110.083 176.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 33.2 ptt-85 -76.14 158.56 31.61 Favored 'General case' 0 N--CA 1.456 -0.171 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 167.48 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -64.94 -22.48 67.01 Favored 'General case' 0 N--CA 1.455 -0.191 0 O-C-N 121.843 -0.536 . . . . 0.0 112.213 -169.545 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 20.0 tp10 -55.82 -41.57 74.41 Favored 'General case' 0 N--CA 1.455 -0.224 0 C-N-CA 123.799 0.839 . . . . 0.0 111.853 171.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 22.4 mm -90.95 -34.03 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 C-N-CA 123.811 0.845 . . . . 0.0 110.233 -171.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -51.97 -35.86 47.63 Favored 'General case' 0 N--CA 1.454 -0.238 0 C-N-CA 124.022 0.929 . . . . 0.0 112.56 176.09 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -59.34 -21.91 60.5 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 124.136 0.975 . . . . 0.0 112.877 -177.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -72.77 -39.96 66.36 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 118.586 0.63 . . . . 0.0 109.787 175.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . 0.491 ' N ' HD12 ' F' ' 51' ' ' ILE . 1.6 mp -73.92 -23.01 18.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.295 0 C-N-CA 124.32 1.048 . . . . 0.0 110.207 -177.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -85.33 -55.78 3.86 Favored 'General case' 0 N--CA 1.454 -0.271 0 N-CA-C 115.07 1.507 . . . . 0.0 115.07 169.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -109.15 -5.25 16.03 Favored 'General case' 0 N--CA 1.456 -0.174 0 N-CA-C 116.713 2.116 . . . . 0.0 116.713 -166.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.08 53.37 0.42 Allowed Glycine 0 CA--C 1.523 0.557 0 N-CA-C 109.094 -1.602 . . . . 0.0 109.094 -171.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . 0.719 ' H ' HD22 ' F' ' 55' ' ' LEU . 0.7 OUTLIER -45.43 141.49 2.62 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 126.481 1.912 . . . . 0.0 114.036 -165.147 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 46.0 p -89.14 -12.45 41.01 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 114.916 -1.038 . . . . 0.0 112.72 -178.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.66 92.11 15.18 Favored Pre-proline 0 N--CA 1.453 -0.312 0 C-N-CA 124.209 1.003 . . . . 0.0 110.056 171.599 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . . . . . . . . . 37.9 Cg_exo -68.16 -179.03 1.98 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.231 2.62 . . . . 0.0 113.358 176.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 28.0 t70 . . . . . 0 N--CA 1.454 -0.268 0 C-N-CA 124.731 1.212 . . . . 0.0 112.958 179.027 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.203 0 O4'-C1'-N19 112.005 3.805 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.158 0 O4'-C1'-N19 111.462 3.262 . 0.327 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.936 1 O4'-C1'-N19 112.888 4.688 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . 0.437 ' OP2' ' HE2' ' C' ' 7' ' ' LYS . . . . . . . . 0 O4'--C4' 1.418 -2.913 1 O4'-C1'-N19 112.321 4.121 . 0.154 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . 0.459 " H2'" H5'' ' G' ' 6' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.142 0 C3'-C2'-C1' 104.201 3.001 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . 0.459 H5'' " H2'" ' G' ' 5' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.416 -3.082 1 C5'-C4'-C3' 108.433 -4.711 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.605 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.417 -2.98 1 C5'-C4'-C3' 107.614 -5.257 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 0 C3'-C2'-C1' 103.863 2.626 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.338 0 O5'-C5'-C4' 113.738 2.527 . 0.01 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.31 0 C3'-C2'-C1' 104.94 3.822 . 0.069 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.26 0 O4'-C1'-N19 111.664 3.464 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . 0.532 H5'' ' C8 ' ' G' ' 12' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.417 -2.988 0 C3'-C2'-C1' 103.497 2.219 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 C5'-C4'-C3' 110.811 -3.126 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.18 0 C4'-C3'-C2' 100.535 -2.165 . 0.775 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.17 0 O4'-C1'-N19 111.729 3.529 . 0.819 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . 0.42 " H2'" " C5'" ' G' ' 17' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 98.864 -3.836 . 0.381 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . 0.42 " C5'" " H2'" ' G' ' 16' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.414 -3.239 0 O5'-C5'-C4' 113.627 2.448 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.139 0 C5'-C4'-C3' 111.496 -2.669 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.134 0 O4'-C1'-N19 111.004 2.804 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.258 0 O4'-C1'-N19 111.82 3.62 . 0.663 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.147 1 O4'-C1'-N19 112.648 4.448 . 0.31 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.085 0 O4'-C1'-N19 110.801 2.601 . 0.268 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.088 1 O4'-C1'-N19 112.824 4.624 . 0.706 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 O4'-C1'-N19 112.082 3.882 . 0.638 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . 0.427 " H2'" ' C8 ' ' G' ' 27' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.418 -2.945 0 C5'-C4'-C3' 109.958 -3.694 . 0.528 1c . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.875 0 O5'-C5'-C4' 115.194 3.567 . 0.422 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.482 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.347 0 N19-C1'-C2' 117.125 2.328 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.4 0 P-O3'-C3' 121.855 1.796 . 0.033 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.175 0 C5'-C4'-C3' 111.561 -2.626 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 O4'-C1'-N19 111.569 3.369 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 C4'-C3'-C2' 100.307 -2.393 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.194 0 O4'-C1'-N19 111.115 2.915 . 0.64 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.305 4.105 . 0.837 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.161 0 C4'-C3'-C2' 99.193 -3.507 . 0.656 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.06 0 C4'-C3'-C2' 99.517 -3.183 . 0.302 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 O4'-C1'-N19 111.459 3.259 . 0.642 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.172 0 P-O3'-C3' 122.577 2.398 . 0.017 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.107 0 C5'-C4'-C3' 110.471 -3.353 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.364 0 C3'-C2'-C1' 104.021 2.801 . 0.177 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.213 1 O4'-C1'-N19 114.235 6.035 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.386 0 C5'-C4'-C3' 110.068 -3.621 . 0.117 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.255 2 O4'-C1'-N19 114.624 6.424 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.173 1 O4'-C1'-N19 114.676 6.476 . 0.01 4b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.111 1 O4'-C1'-N19 112.344 4.144 . 0.18 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.167 1 O4'-C1'-N19 112.466 4.266 . 0.32 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C4'-C3'-C2' 99.793 -2.907 . 0.568 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.113 0 O4'-C1'-N19 112.082 3.882 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.265 0 C3'-C2'-C1' 104.637 3.485 . 0.2 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . 0.437 ' H22' ' CE1' ' A' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.415 -3.16 0 C4'-C3'-C2' 99.804 -2.896 . 0.019 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.233 0 O4'-C1'-N19 111.421 3.221 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.287 0 C5'-C4'-C3' 110.801 -3.132 . 0.418 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.449 1 O5'-C5'-C4' 117.04 4.886 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.19 0 C5'-C4'-C3' 111.874 -2.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.987 1 O4'-C1'-N19 112.253 4.053 . 0.918 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.091 0 C4'-C3'-C2' 100.319 -2.381 . 0.515 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.177 0 O4'-C1'-N19 110.979 2.779 . 0.751 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 C5'-C4'-C3' 110.796 -3.136 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.133 0 O4'-C1'-N19 112.023 3.823 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.096 1 O4'-C1'-N19 112.21 4.01 . 0.374 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.421 3.221 . 0.475 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.273 4.073 . 0.421 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.056 0 O4'-C1'-N19 111.735 3.535 . 0.585 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.163 0 C3'-C2'-C1' 103.916 2.685 . 0.228 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.186 0 C4'-C3'-C2' 99.477 -3.223 . 0.036 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . 0.568 ' N3 ' ' HE2' ' C' ' 38' ' ' LYS . . . . . . . . 0 O4'--C4' 1.417 -2.991 1 C3'-C2'-C1' 106.117 5.13 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.493 0 C5'-C4'-C3' 110.321 -3.453 . 0.122 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.373 2 C5'-C4'-C3' 105.408 -6.728 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.253 1 P-O3'-C3' 125.477 4.814 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.191 0 O4'-C1'-N19 110.834 2.634 . 0.742 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.069 1 O4'-C1'-N19 112.633 4.433 . 0.495 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.116 0 C4'-C3'-C2' 99.686 -3.014 . 0.356 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.185 0 O4'-C1'-N19 111.275 3.075 . 0.526 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.7 ttp . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 119.167 -0.444 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.74 116.09 31.96 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.722 0.809 . . . . 0.0 109.587 -177.232 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 mp -100.43 133.91 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.259 0 C-N-CA 123.838 0.855 . . . . 0.0 109.779 -177.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 69.1 mt -135.07 155.56 50.53 Favored 'General case' 0 N--CA 1.454 -0.229 0 C-N-CA 124.738 1.215 . . . . 0.0 110.427 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 58.9 m -128.03 114.98 17.79 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 124.337 1.055 . . . . 0.0 110.366 -173.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 18.5 mmm180 -138.41 149.12 45.2 Favored 'General case' 0 C--O 1.228 -0.069 0 CA-C-N 119.116 0.871 . . . . 0.0 111.667 -173.258 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.09 161.05 15.27 Favored 'General case' 0 N--CA 1.457 -0.089 0 C-N-CA 122.768 0.427 . . . . 0.0 111.363 177.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.476 HG13 ' HA2' ' A' ' 24' ' ' GLY . 68.3 t -40.11 128.5 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.241 1.016 . . . . 0.0 111.276 170.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 94.5 -9.25 71.65 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 124.348 0.975 . . . . 0.0 114.136 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 63.6 mt-10 -89.86 173.93 7.97 Favored 'General case' 0 N--CA 1.455 -0.181 0 CA-C-N 118.576 1.188 . . . . 0.0 111.858 176.28 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.47 156.0 41.3 Favored 'General case' 0 N--CA 1.455 -0.198 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -170.014 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.438 ' HA ' ' HA ' ' B' ' 44' ' ' ARG . 26.2 mm -121.43 155.59 25.42 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.225 0 C-N-CA 126.643 1.977 . . . . 0.0 109.7 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -125.45 140.35 52.86 Favored 'General case' 0 N--CA 1.452 -0.33 0 C-N-CA 124.488 1.115 . . . . 0.0 110.845 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.7 mt -134.0 132.77 56.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.212 0 C-N-CA 124.515 1.126 . . . . 0.0 109.463 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 67.89 -128.64 26.33 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 111.302 -0.719 . . . . 0.0 111.302 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -128.14 -1.37 5.79 Favored 'General case' 0 N--CA 1.455 -0.204 0 C-N-CA 123.917 0.887 . . . . 0.0 112.281 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.0 m-20 -135.21 -17.51 1.82 Allowed 'General case' 0 N--CA 1.455 -0.201 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -169.8 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.5 mt -106.1 137.51 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 C-N-CA 123.415 0.686 . . . . 0.0 110.363 -169.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.5 m -136.16 145.22 45.54 Favored 'General case' 0 N--CA 1.456 -0.151 0 C-N-CA 123.579 0.752 . . . . 0.0 109.566 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 12.4 mm -127.29 139.3 52.28 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 124.483 1.113 . . . . 0.0 108.509 -175.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.0 m -134.61 133.43 40.15 Favored 'General case' 0 N--CA 1.456 -0.139 0 C-N-CA 123.247 0.619 . . . . 0.0 110.052 -177.586 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -84.55 95.91 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.317 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 170.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -70.92 -25.09 62.61 Favored 'General case' 0 CA--C 1.53 0.178 0 O-C-N 121.774 -0.579 . . . . 0.0 110.43 -175.308 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.476 ' HA2' HG13 ' A' ' 8' ' ' VAL . . . 169.65 -167.95 40.92 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 118.145 0.429 . . . . 0.0 113.847 169.154 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 19.5 m -130.51 164.88 32.27 Favored 'Isoleucine or valine' 0 C--O 1.23 0.062 0 C-N-CA 124.147 0.979 . . . . 0.0 111.505 178.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.2 t -147.36 74.41 1.33 Allowed 'General case' 0 N--CA 1.454 -0.266 0 C-N-CA 124.225 1.01 . . . . 0.0 110.02 178.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.48 -126.1 12.47 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.413 -1.075 . . . . 0.0 110.413 -173.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -84.68 9.07 14.86 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 117.319 0.559 . . . . 0.0 112.099 175.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -100.84 157.58 16.62 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 121.817 0.817 . . . . 0.0 111.279 167.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 52.3 t -137.8 126.78 33.67 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 C-N-CA 125.76 1.624 . . . . 0.0 108.396 -169.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 49.5 ttt-85 -103.21 101.87 11.83 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 123.692 0.797 . . . . 0.0 110.231 -176.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 49.0 mt -108.42 129.07 63.43 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.332 0 C-N-CA 124.932 1.293 . . . . 0.0 109.267 -173.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -105.15 141.31 15.3 Favored Glycine 0 CA--C 1.523 0.557 0 C-N-CA 123.955 0.788 . . . . 0.0 111.346 170.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 HG21 HG11 ' A' ' 42' ' ' VAL . 62.6 mt -117.11 132.23 67.49 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 C-N-CA 125.128 1.371 . . . . 0.0 108.317 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 48.1 t30 -122.04 74.94 1.18 Allowed 'General case' 0 N--CA 1.452 -0.352 0 C-N-CA 124.527 1.131 . . . . 0.0 109.409 179.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.84 153.71 42.93 Favored Pre-proline 0 N--CA 1.452 -0.344 0 CA-C-N 114.279 -1.328 . . . . 0.0 111.049 173.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 63.3 Cg_endo -72.73 155.76 53.75 Favored 'Trans proline' 0 N--CA 1.451 -1.021 0 C-N-CA 122.649 2.233 . . . . 0.0 110.339 175.488 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -69.36 -1.09 7.4 Favored 'General case' 0 N--CA 1.456 -0.145 0 N-CA-C 112.853 0.686 . . . . 0.0 112.853 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -65.91 -31.07 71.79 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 123.813 0.845 . . . . 0.0 111.247 168.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 11.1 m -118.72 144.03 28.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.338 0 C-N-CA 123.824 0.85 . . . . 0.0 111.561 -177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -82.02 143.04 31.84 Favored 'General case' 0 N--CA 1.451 -0.395 0 C-N-CA 123.837 0.855 . . . . 0.0 110.97 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.427 HG11 HG21 ' A' ' 34' ' ' ILE . 29.2 m -134.31 123.79 44.0 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.15 0 C-N-CA 123.227 0.611 . . . . 0.0 110.268 171.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 98.9 m-70 -153.42 158.91 42.13 Favored 'General case' 0 N--CA 1.455 -0.213 0 C-N-CA 122.775 0.43 . . . . 0.0 111.761 -171.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -74.62 164.62 26.37 Favored 'General case' 0 N--CA 1.454 -0.275 0 C-N-CA 122.991 0.516 . . . . 0.0 110.373 167.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -73.79 -32.21 63.66 Favored 'General case' 0 N--CA 1.454 -0.231 0 O-C-N 121.761 -0.587 . . . . 0.0 112.213 -176.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 22.2 pt-20 -72.85 -1.34 16.37 Favored 'General case' 0 CA--C 1.53 0.189 0 O-C-N 121.355 -0.841 . . . . 0.0 113.09 176.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 10.1 mt -121.83 -28.9 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 124.14 0.976 . . . . 0.0 111.069 175.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 55.5 t80 -60.26 -32.42 71.14 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 119.5 1.045 . . . . 0.0 110.667 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -76.77 -18.3 58.52 Favored 'General case' 0 N--CA 1.451 -0.389 0 C-N-CA 123.528 0.731 . . . . 0.0 112.094 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -78.84 -35.91 43.29 Favored 'General case' 0 N--CA 1.457 -0.124 0 C-N-CA 123.574 0.75 . . . . 0.0 110.99 170.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.436 HG22 ' NE2' ' A' ' 52' ' ' GLN . 76.4 mt -63.28 -49.76 81.69 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.198 0 C-N-CA 123.581 0.752 . . . . 0.0 109.358 174.636 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.436 ' NE2' HG22 ' A' ' 51' ' ' ILE . 88.1 mm-40 -83.95 5.06 26.95 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.752 0.821 . . . . 0.0 112.955 -176.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.37 -22.66 67.01 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 112.076 0.399 . . . . 0.0 112.076 173.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . . . . . . . . . . . 143.38 -10.08 2.2 Favored Glycine 0 CA--C 1.525 0.679 0 C-N-CA 124.357 0.98 . . . . 0.0 112.784 176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.576 ' O ' HD12 ' A' ' 55' ' ' LEU . 1.9 pp -89.91 90.88 8.36 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-O 122.403 1.097 . . . . 0.0 111.025 178.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 33.5 p -119.54 164.02 16.44 Favored 'General case' 0 N--CA 1.454 -0.272 0 O-C-N 121.642 -0.661 . . . . 0.0 110.697 177.481 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -57.17 147.79 54.97 Favored Pre-proline 0 N--CA 1.452 -0.342 0 CA-C-O 119.462 -0.304 . . . . 0.0 110.549 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -56.62 -29.47 79.53 Favored 'Trans proline' 0 N--CA 1.452 -0.955 0 C-N-CA 123.246 2.63 . . . . 0.0 114.312 -179.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 31.6 t70 . . . . . 0 N--CA 1.453 -0.325 0 C-N-CA 124.858 1.263 . . . . 0.0 113.663 178.162 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.433 ' CE ' ' C8 ' ' G' ' 52' ' ' ' A' . 34.9 tpp . . . . . 0 N--CA 1.474 0.74 0 CA-C-O 119.629 -0.224 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -114.18 120.88 41.99 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.626 -1.25 . . . . 0.0 107.626 168.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.455 HD11 " H5'" ' G' ' 52' ' ' ' A' . 56.3 mt -118.68 140.88 40.83 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.124 0 C-N-CA 123.176 0.591 . . . . 0.0 111.987 -165.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.0 mt -135.14 145.11 47.49 Favored 'General case' 0 N--CA 1.452 -0.353 0 C-N-CA 125.044 1.337 . . . . 0.0 110.748 -179.083 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 38.1 m -121.08 100.97 7.37 Favored 'General case' 0 N--CA 1.456 -0.162 0 N-CA-C 108.477 -0.935 . . . . 0.0 108.477 173.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' ARG . . . . . 0.452 ' HD3' HD11 ' B' ' 12' ' ' ILE . 23.9 mtp85 -125.57 162.7 24.36 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 124.014 0.926 . . . . 0.0 110.748 -170.749 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' LYS . . . . . . . . . . . . . 58.7 pttt -94.08 168.59 10.85 Favored 'General case' 0 CA--C 1.52 -0.173 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 14.9 m -61.12 136.73 24.41 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.27 0.557 . . . . 0.0 111.164 174.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.54 -2.01 79.85 Favored Glycine 0 CA--C 1.525 0.698 0 CA-C-O 119.192 -0.782 . . . . 0.0 114.174 -176.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -84.36 154.78 22.67 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-N 118.752 1.276 . . . . 0.0 111.8 173.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -124.54 153.31 42.31 Favored 'General case' 0 N--CA 1.454 -0.25 0 C-N-CA 123.573 0.749 . . . . 0.0 111.841 -172.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.452 HD11 ' HD3' ' B' ' 6' ' ' ARG . 38.0 mm -136.53 155.54 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 127.687 2.395 . . . . 0.0 107.687 -169.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -132.92 146.14 51.53 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 124.022 0.929 . . . . 0.0 111.167 177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' ILE . . . . . . . . . . . . . 39.4 mt -128.94 154.23 39.64 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 124.463 1.105 . . . . 0.0 108.613 174.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.33 48.33 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.159 -0.776 . . . . 0.0 111.159 172.037 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -124.42 5.14 8.36 Favored 'General case' 0 N--CA 1.454 -0.232 0 C-N-CA 124.781 1.233 . . . . 0.0 109.809 166.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ASP . . . . . . . . . . . . . 23.1 m-20 -125.91 3.05 7.35 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 126.184 1.794 . . . . 0.0 112.666 -168.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.44 140.41 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.279 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -165.416 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 62.8 m -135.25 141.99 45.86 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 124.903 1.281 . . . . 0.0 108.016 167.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ILE . . . . . . . . . . . . . 3.4 mt -135.93 138.35 47.66 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 C-N-CA 123.835 0.854 . . . . 0.0 109.006 177.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' THR . . . . . . . . . . . . . 88.9 m -129.55 131.36 46.55 Favored 'General case' 0 N--CA 1.454 -0.237 0 C-N-CA 122.898 0.479 . . . . 0.0 109.927 -178.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' ILE . . . . . . . . . . . . . 1.4 tp -76.47 101.38 2.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 N-CA-C 107.821 -1.177 . . . . 0.0 107.821 169.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.414 HD13 " H1'" ' G' ' 30' ' ' ' C' . 28.1 mt -70.69 -32.15 69.28 Favored 'General case' 0 N--CA 1.453 -0.313 0 O-C-N 122.037 -0.415 . . . . 0.0 110.657 -175.638 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' GLY . . . . . . . . . . . . . . . 161.18 -178.24 37.2 Favored Glycine 0 C--N 1.337 0.596 0 CA-C-N 116.829 -0.169 . . . . 0.0 112.832 172.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' VAL . . . . . . . . . . . . . 1.3 m -112.67 154.13 14.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.27 0 CA-C-O 121.263 0.554 . . . . 0.0 110.667 176.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 69.6 m -127.91 77.67 1.77 Allowed 'General case' 0 N--CA 1.451 -0.383 0 C-N-CA 125.034 1.334 . . . . 0.0 108.405 170.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.96 -116.4 4.58 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.519 -1.032 . . . . 0.0 110.519 -172.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.19 10.03 39.65 Favored 'General case' 0 N--CA 1.454 -0.247 0 O-C-N 122.219 -0.577 . . . . 0.0 111.584 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLN . . . . . . . . . . . . . 23.7 mt-30 -99.01 152.3 19.97 Favored 'General case' 0 N--CA 1.45 -0.451 0 C-N-CA 124.697 1.199 . . . . 0.0 109.398 170.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 23.4 t -137.02 119.29 19.71 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.22 0 C-N-CA 123.006 0.523 . . . . 0.0 110.108 -167.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -90.49 119.21 30.57 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 125.649 1.58 . . . . 0.0 109.683 179.228 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -129.05 132.76 66.96 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.211 0 C-N-CA 124.151 0.981 . . . . 0.0 109.683 -170.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -104.95 129.03 9.67 Favored Glycine 0 C--N 1.336 0.553 0 N-CA-C 111.459 -0.656 . . . . 0.0 111.459 174.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' ILE . . . . . . . . . . . . . 35.3 mt -117.08 128.74 74.39 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.265 0 C-N-CA 124.199 1.0 . . . . 0.0 108.898 -176.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASN . . . . . . . . . . . . . 31.7 t-20 -133.03 74.85 1.59 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.797 -169.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ALA . . . . . . . . . . . . . . . -108.63 158.57 33.65 Favored Pre-proline 0 N--CA 1.449 -0.481 0 C-N-CA 126.293 1.837 . . . . 0.0 107.243 168.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' PRO . . . . . . . . . . . . . 14.5 Cg_endo -59.23 155.96 37.52 Favored 'Trans proline' 0 N--CA 1.446 -1.295 0 C-N-CA 121.413 1.408 . . . . 0.0 109.429 168.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.16 -0.84 6.52 Favored 'General case' 0 N--CA 1.455 -0.176 0 C-N-CA 123.868 0.867 . . . . 0.0 111.243 174.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -65.83 -23.57 66.71 Favored 'General case' 0 N--CA 1.454 -0.26 0 C-N-CA 126.448 1.899 . . . . 0.0 111.579 172.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 5.7 m -113.73 144.08 22.09 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.171 0 C-N-CA 124.851 1.26 . . . . 0.0 110.116 177.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -83.32 141.95 31.43 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-O 121.404 0.621 . . . . 0.0 111.912 171.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' VAL . . . . . . . . . . . . . 5.0 t -144.99 99.83 0.55 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.326 0 C-N-CA 124.407 1.083 . . . . 0.0 109.108 -166.784 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.465 ' HB3' ' H1 ' ' G' ' 27' ' ' ' G' . 0.4 OUTLIER -145.68 163.04 36.14 Favored 'General case' 0 CA--C 1.524 -0.055 0 C-N-CA 123.917 0.887 . . . . 0.0 111.314 178.276 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ARG . . . . . 0.438 ' HA ' ' HA ' ' A' ' 12' ' ' ILE . 30.5 ptt-85 -65.65 154.72 38.04 Favored 'General case' 0 N--CA 1.454 -0.236 0 C-N-CA 122.467 0.307 . . . . 0.0 111.001 169.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 30.7 mm-40 -55.08 -35.41 64.53 Favored 'General case' 0 C--O 1.228 -0.072 0 C-N-CA 123.373 0.669 . . . . 0.0 112.339 -176.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -50.56 -52.44 38.91 Favored 'General case' 0 N--CA 1.456 -0.143 0 CA-C-N 118.529 0.604 . . . . 0.0 111.14 173.882 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . . . . . . . . . 12.7 mm -70.23 -44.6 77.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 C-N-CA 124.477 1.111 . . . . 0.0 110.734 -176.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' TYR . . . . . . . . . . . . . 75.9 t80 -50.91 -38.72 51.68 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 123.984 0.914 . . . . 0.0 112.043 -178.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -67.5 -25.94 66.11 Favored 'General case' 0 N--CA 1.453 -0.324 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -175.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.468 ' O ' ' HB3' ' B' ' 53' ' ' ALA . 2.3 mpt_? -77.88 -41.77 35.59 Favored 'General case' 0 C--O 1.226 -0.178 0 CA-C-N 119.031 0.832 . . . . 0.0 110.089 172.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.501 HG22 ' NE2' ' B' ' 52' ' ' GLN . 99.1 mt -63.39 -39.56 85.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.306 0 C-N-CA 123.169 0.587 . . . . 0.0 109.472 -175.691 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' GLN . . . . . 0.501 ' NE2' HG22 ' B' ' 51' ' ' ILE . 23.3 mm-40 -80.34 3.38 21.31 Favored 'General case' 0 N--CA 1.453 -0.282 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 174.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.468 ' HB3' ' O ' ' B' ' 50' ' ' ARG . . . -80.34 -17.41 52.06 Favored 'General case' 0 N--CA 1.452 -0.344 0 C-N-CA 123.274 0.63 . . . . 0.0 111.685 169.214 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' GLY . . . . . . . . . . . . . . . 132.53 48.18 0.1 Allowed Glycine 0 C--N 1.339 0.73 0 CA-C-O 119.529 -0.595 . . . . 0.0 114.118 169.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' B' ' 51' ' ' ILE . 3.5 pp -169.04 -177.27 2.88 Favored 'General case' 0 N--CA 1.455 -0.22 0 CA-C-N 117.82 0.81 . . . . 0.0 112.717 -168.307 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' THR . . . . . . . . . . . . . 45.3 p -127.6 -174.95 3.32 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 125.471 1.509 . . . . 0.0 109.332 168.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -44.36 122.52 4.29 Favored Pre-proline 0 CA--C 1.531 0.226 0 C-N-CA 123.733 0.813 . . . . 0.0 111.356 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -63.32 168.47 11.08 Favored 'Trans proline' 0 N--CA 1.452 -0.958 0 C-N-CA 122.357 2.038 . . . . 0.0 114.689 -169.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' ASP . . . . . . . . . . . . . 17.3 t70 . . . . . 0 N--CA 1.454 -0.275 0 C-N-CA 125.219 1.408 . . . . 0.0 113.108 179.444 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' MET . . . . . . . . . . . . . 33.7 tpp . . . . . 0 N--CA 1.474 0.764 0 CA-C-O 119.422 -0.323 . . . . 0.0 110.703 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.04 111.29 18.12 Favored 'General case' 0 N--CA 1.452 -0.34 0 C-N-CA 124.655 1.182 . . . . 0.0 108.548 169.73 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ILE . . . . . . . . . . . . . 4.4 mp -86.21 134.63 26.88 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.293 0 C-N-CA 124.454 1.102 . . . . 0.0 109.669 179.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' LEU . . . . . . . . . . . . . 79.8 mt -130.3 142.39 50.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 C-N-CA 124.485 1.114 . . . . 0.0 110.432 171.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' THR . . . . . . . . . . . . . 44.0 p -99.71 140.07 34.45 Favored 'General case' 0 N--CA 1.455 -0.181 0 C-N-CA 123.28 0.632 . . . . 0.0 110.73 170.385 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 mmp_? -138.02 140.32 40.05 Favored 'General case' 0 CA--C 1.521 -0.167 0 C-N-CA 123.314 0.646 . . . . 0.0 110.915 173.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 tptt -76.2 155.66 34.31 Favored 'General case' 0 C--N 1.333 -0.122 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 168.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m -58.62 132.77 23.67 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.157 0 O-C-N 121.516 -0.74 . . . . 0.0 111.243 179.347 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . 89.55 -2.76 83.13 Favored Glycine 0 CA--C 1.529 0.909 0 C-N-CA 124.42 1.009 . . . . 0.0 113.988 -177.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' GLU . . . . . . . . . . . . . 69.6 mt-10 -87.81 174.32 8.43 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 119.12 1.46 . . . . 0.0 111.85 174.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -136.5 157.35 46.99 Favored 'General case' 0 N--CA 1.456 -0.127 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 -167.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' ILE . . . . . . . . . . . . . 62.5 mt -136.26 157.13 37.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.154 0 C-N-CA 127.582 2.353 . . . . 0.0 108.464 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -132.68 146.55 51.96 Favored 'General case' 0 N--CA 1.455 -0.183 0 C-N-CA 124.081 0.953 . . . . 0.0 111.753 -178.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' ILE . . . . . . . . . . . . . 62.3 mt -135.72 135.03 51.37 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.173 0 C-N-CA 124.717 1.207 . . . . 0.0 109.614 176.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.4 -133.61 52.66 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.914 -0.874 . . . . 0.0 110.914 -173.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -130.03 9.44 5.31 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.767 0.827 . . . . 0.0 112.06 168.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -122.64 -12.5 8.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 124.164 0.985 . . . . 0.0 113.238 -177.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' ILE . . . . . . . . . . . . . 4.0 mp -119.37 132.07 70.22 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 CA-C-N 118.821 0.737 . . . . 0.0 110.536 -172.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -129.78 142.43 50.69 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 124.019 0.928 . . . . 0.0 109.509 176.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ILE . . . . . . . . . . . . . 34.1 mm -120.96 136.9 56.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 C-N-CA 124.597 1.159 . . . . 0.0 108.611 -178.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' THR . . . . . . . . . . . . . 5.4 m -128.44 121.25 28.55 Favored 'General case' 0 N--CA 1.454 -0.235 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 177.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -82.84 114.44 23.69 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 170.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' LEU . . . . . 0.443 HD13 " H1'" ' G' ' 67' ' ' ' C' . 11.6 mt -88.29 -43.34 11.63 Favored 'General case' 0 N--CA 1.453 -0.315 0 O-C-N 121.886 -0.509 . . . . 0.0 110.502 -169.683 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.85 178.45 48.57 Favored Glycine 0 CA--C 1.524 0.618 0 C-N-CA 121.676 -0.297 . . . . 0.0 113.397 169.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' VAL . . . . . . . . . . . . . 2.2 m -112.52 154.42 13.98 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.101 0 CA-C-O 121.311 0.577 . . . . 0.0 110.701 169.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 18.7 m -152.98 109.13 3.36 Favored 'General case' 0 N--CA 1.454 -0.272 0 N-CA-C 107.007 -1.479 . . . . 0.0 107.007 169.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.41 -141.93 28.43 Favored Glycine 0 CA--C 1.523 0.554 0 C-N-CA 120.694 -0.765 . . . . 0.0 111.697 -169.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -85.43 5.43 31.07 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 124.186 0.994 . . . . 0.0 110.842 168.206 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.89 143.24 26.52 Favored 'General case' 0 N--CA 1.447 -0.612 0 C-N-CA 126.066 1.746 . . . . 0.0 110.402 -176.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' VAL . . . . . . . . . . . . . 30.1 t -129.49 118.45 45.53 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 107.927 -1.138 . . . . 0.0 107.927 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ARG . . . . . . . . . . . . . 11.6 ttm180 -77.11 112.45 13.78 Favored 'General case' 0 N--CA 1.455 -0.202 0 N-CA-C 108.626 -0.879 . . . . 0.0 108.626 169.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 15.1 mt -118.86 129.37 75.17 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 C-N-CA 124.925 1.29 . . . . 0.0 109.515 -178.409 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.43 ' HA3' ' HE1' ' D' ' 1' ' ' MET . . . -99.82 141.77 15.63 Favored Glycine 0 CA--C 1.524 0.608 0 C-N-CA 125.341 1.448 . . . . 0.0 112.301 175.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' ILE . . . . . . . . . . . . . 53.6 mt -128.38 119.5 50.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.264 0 C-N-CA 124.918 1.287 . . . . 0.0 108.482 -179.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ASN . . . . . . . . . . . . . 44.5 t-20 -118.31 101.13 7.95 Favored 'General case' 0 N--CA 1.451 -0.405 0 C-N-CA 123.211 0.605 . . . . 0.0 109.848 -174.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' ALA . . . . . . . . . . . . . . . -145.57 156.58 52.81 Favored Pre-proline 0 N--CA 1.453 -0.282 0 C-N-CA 124.486 1.114 . . . . 0.0 110.106 -175.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -64.48 153.97 74.28 Favored 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.948 2.432 . . . . 0.0 111.588 174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LYS . . . . . . . . . . . . . 13.9 mmmm -66.5 -1.04 3.15 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.654 0.612 . . . . 0.0 112.654 171.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ASP . . . . . . . . . . . . . 20.9 t70 -65.88 -23.11 66.58 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 124.225 1.01 . . . . 0.0 111.3 169.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 6.3 m -121.74 146.9 26.12 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.156 0.982 . . . . 0.0 110.588 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' ALA . . . . . . . . . . . . . . . -85.94 153.28 22.3 Favored 'General case' 0 N--CA 1.452 -0.371 0 C-N-CA 122.811 0.444 . . . . 0.0 111.055 174.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' VAL . . . . . . . . . . . . . 10.9 m -136.49 131.72 48.23 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 C-N-CA 122.791 0.437 . . . . 0.0 110.12 169.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' HIS . . . . . . . . . . . . . 91.0 m-70 -155.42 164.52 38.6 Favored 'General case' 0 N--CA 1.456 -0.158 0 C-N-CA 123.497 0.719 . . . . 0.0 111.453 -178.224 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ARG . . . . . . . . . . . . . 25.3 ptt180 -79.58 162.16 25.5 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 165.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -60.92 -33.1 72.62 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 123.206 0.603 . . . . 0.0 111.965 -171.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -56.29 -44.15 79.56 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.967 0.907 . . . . 0.0 111.829 174.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' ILE . . . . . . . . . . . . . 36.5 mm -91.6 -30.53 4.75 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 123.47 0.708 . . . . 0.0 110.822 -171.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' TYR . . . . . . . . . . . . . 63.7 t80 -51.26 -34.85 34.41 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 123.827 0.851 . . . . 0.0 112.242 175.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' GLN . . . . . . . . . . . . . 81.7 mt-30 -62.37 -29.2 70.3 Favored 'General case' 0 N--CA 1.455 -0.222 0 C-N-CA 123.604 0.761 . . . . 0.0 112.601 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 50' ' ' ARG . . . . . . . . . . . . . 72.9 ttt180 -69.63 -34.81 74.59 Favored 'General case' 0 N--CA 1.455 -0.195 0 C-N-CA 123.164 0.585 . . . . 0.0 111.607 173.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 51' ' ' ILE . . . . . 0.543 ' HA ' HD11 ' C' ' 55' ' ' LEU . 2.6 mp -69.46 -20.01 23.68 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 O-C-N 121.978 -0.451 . . . . 0.0 109.794 177.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 52' ' ' GLN . . . . . . . . . . . . . 64.3 mm-40 -90.35 -0.08 57.48 Favored 'General case' 0 N--CA 1.455 -0.2 0 C-N-CA 123.759 0.824 . . . . 0.0 112.599 172.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 53' ' ' ALA . . . . . . . . . . . . . . . -101.81 -17.15 16.35 Favored 'General case' 0 N--CA 1.453 -0.308 0 C-N-CA 124.37 1.068 . . . . 0.0 112.937 -176.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 54' ' ' GLY . . . . . . . . . . . . . . . 120.04 135.33 4.96 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.245 -0.742 . . . . 0.0 111.245 -177.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 55' ' ' LEU . . . . . 0.543 HD11 ' HA ' ' C' ' 51' ' ' ILE . 2.3 mm? -107.09 -44.98 4.25 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 123.62 0.768 . . . . 0.0 110.807 -169.097 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 56' ' ' THR . . . . . . . . . . . . . 9.3 t -144.93 139.86 27.88 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 124.711 1.205 . . . . 0.0 109.178 169.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 57' ' ' ALA . . . . . . . . . . . . . . . 41.38 71.36 1.33 Allowed Pre-proline 0 CA--C 1.531 0.247 0 C-N-CA 125.069 1.347 . . . . 0.0 112.882 -169.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 58' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_exo -62.05 175.01 2.11 Favored 'Trans proline' 0 N--CA 1.454 -0.841 0 C-N-CA 123.451 2.767 . . . . 0.0 114.55 -173.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 59' ' ' ASP . . . . . . . . . . . . . 27.1 t0 . . . . . 0 N--CA 1.453 -0.285 0 C-N-CA 124.043 0.937 . . . . 0.0 111.77 172.296 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' MET . . . . . 0.459 ' HE2' ' C5 ' ' G' ' 67' ' ' ' C' . 0.3 OUTLIER . . . . . 0 N--CA 1.476 0.828 0 CA-C-O 118.59 -0.719 . . . . 0.0 109.608 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -121.52 111.76 17.66 Favored 'General case' 0 N--CA 1.452 -0.369 0 C-N-CA 123.936 0.894 . . . . 0.0 109.147 178.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ILE . . . . . . . . . . . . . 3.8 mp -106.97 133.29 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.302 0 C-N-CA 124.488 1.115 . . . . 0.0 108.871 -170.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' LEU . . . . . . . . . . . . . 85.6 mt -131.15 160.51 34.54 Favored 'General case' 0 N--CA 1.453 -0.28 0 C-N-CA 124.818 1.247 . . . . 0.0 111.096 -178.529 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' THR . . . . . . . . . . . . . 12.7 p -104.94 110.22 22.52 Favored 'General case' 0 N--CA 1.453 -0.296 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 165.151 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' D' ' 6' ' ' ARG . 0.2 OUTLIER -103.97 131.1 51.55 Favored 'General case' 0 N--CA 1.453 -0.31 0 C-N-CA 122.411 0.284 . . . . 0.0 110.758 174.593 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 24.1 mmtp -79.59 153.44 29.44 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 120.878 0.37 . . . . 0.0 110.103 169.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' VAL . . . . . . . . . . . . . 31.0 m -56.02 134.84 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.246 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.125 174.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . 91.2 -3.2 79.81 Favored Glycine 0 CA--C 1.528 0.861 0 C-N-CA 124.266 0.936 . . . . 0.0 114.329 179.305 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -96.44 174.08 7.04 Favored 'General case' 0 CA--C 1.53 0.189 0 CA-C-N 119.046 1.423 . . . . 0.0 112.063 177.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' SER . . . . . . . . . . . . . 74.9 m -133.53 159.02 41.66 Favored 'General case' 0 N--CA 1.455 -0.188 0 C-N-CA 123.584 0.753 . . . . 0.0 112.804 -171.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' ILE . . . . . . . . . . . . . 39.6 mt -138.59 157.75 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 C-N-CA 127.157 2.183 . . . . 0.0 108.725 -175.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -132.46 144.8 50.72 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 124.381 1.072 . . . . 0.0 111.043 -177.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' ILE . . . . . . . . . . . . . 71.4 mt -133.8 132.64 56.78 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.195 0 C-N-CA 124.74 1.216 . . . . 0.0 109.07 178.133 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' GLY . . . . . . . . . . . . . . . 58.15 -132.99 52.83 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.819 -0.912 . . . . 0.0 110.819 -172.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -129.97 8.56 5.24 Favored 'General case' 0 N--CA 1.454 -0.228 0 C-N-CA 123.194 0.598 . . . . 0.0 112.354 170.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -125.96 -9.6 6.59 Favored 'General case' 0 N--CA 1.456 -0.172 0 C-N-CA 123.634 0.774 . . . . 0.0 112.896 -176.275 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' ILE . . . . . . . . . . . . . 4.1 mp -117.57 136.18 55.56 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 123.356 0.662 . . . . 0.0 110.395 -175.061 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' THR . . . . . . . . . . . . . 85.0 m -129.83 146.44 51.56 Favored 'General case' 0 N--CA 1.454 -0.261 0 C-N-CA 124.527 1.131 . . . . 0.0 109.662 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ILE . . . . . . . . . . . . . 24.6 mm -128.36 143.2 41.74 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.26 0 C-N-CA 125.585 1.554 . . . . 0.0 107.971 -178.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' THR . . . . . . . . . . . . . 79.7 m -138.25 127.27 24.1 Favored 'General case' 0 N--CA 1.456 -0.147 0 C-N-CA 123.134 0.574 . . . . 0.0 109.469 176.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' ILE . . . . . . . . . . . . . 2.8 tp -84.1 106.21 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.277 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 174.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' LEU . . . . . . . . . . . . . 59.7 mt -79.51 -30.66 42.0 Favored 'General case' 0 N--CA 1.454 -0.255 0 C-N-CA 123.428 0.691 . . . . 0.0 110.91 -169.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' GLY . . . . . . . . . . . . . . . 165.71 -174.58 41.43 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 112.71 -0.156 . . . . 0.0 112.71 171.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' VAL . . . . . . . . . . . . . 11.8 m -109.33 158.31 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.169 0 C-N-CA 122.965 0.506 . . . . 0.0 110.745 169.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 70.5 m -141.33 79.93 1.71 Allowed 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.688 1.195 . . . . 0.0 108.524 169.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.72 -113.91 4.82 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.526 -0.629 . . . . 0.0 111.526 -175.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -92.55 -10.25 38.3 Favored 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 124.317 1.047 . . . . 0.0 110.576 177.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -86.37 154.72 20.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 122.148 0.975 . . . . 0.0 112.184 170.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' VAL . . . . . . . . . . . . . 46.4 t -133.86 124.45 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 C-N-CA 125.64 1.576 . . . . 0.0 106.967 -177.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' ARG . . . . . . . . . . . . . 1.7 ttm180 -98.72 113.64 25.81 Favored 'General case' 0 N--CA 1.453 -0.324 0 C-N-CA 124.063 0.945 . . . . 0.0 108.661 -173.243 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -123.71 124.53 69.55 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 C-N-CA 123.325 0.65 . . . . 0.0 110.396 -168.48 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -92.04 141.59 15.68 Favored Glycine 0 CA--C 1.524 0.599 0 C-N-CA 124.397 0.998 . . . . 0.0 111.177 173.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' ILE . . . . . . . . . . . . . 61.1 mt -132.02 140.65 47.43 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.239 0 C-N-CA 124.036 0.934 . . . . 0.0 108.699 -177.25 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' ASN . . . . . . . . . . . . . 49.1 t-20 -138.05 102.85 4.8 Favored 'General case' 0 N--CA 1.45 -0.438 0 C-N-CA 123.218 0.607 . . . . 0.0 109.624 -174.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' ALA . . . . . . . . . . . . . . . -134.53 154.7 79.83 Favored Pre-proline 0 N--CA 1.452 -0.352 0 C-N-CA 124.276 1.031 . . . . 0.0 109.613 178.454 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -60.11 149.85 82.44 Favored 'Trans proline' 0 N--CA 1.451 -0.977 0 C-N-CA 122.254 1.97 . . . . 0.0 110.65 170.105 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -68.08 -1.64 6.31 Favored 'General case' 0 N--CA 1.456 -0.125 0 N-CA-C 112.471 0.545 . . . . 0.0 112.471 175.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -65.97 -22.39 66.47 Favored 'General case' 0 N--CA 1.454 -0.27 0 C-N-CA 124.728 1.211 . . . . 0.0 111.458 168.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 5.1 m -124.81 157.94 32.67 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.19 0 C-N-CA 124.236 1.014 . . . . 0.0 110.6 175.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' ALA . . . . . . . . . . . . . . . -97.53 157.06 16.21 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.319 0.648 . . . . 0.0 111.962 -178.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -146.6 131.93 12.11 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.14 0 O-C-N 121.748 -0.595 . . . . 0.0 110.571 169.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' HIS . . . . . . . . . . . . . 4.4 m-70 -153.98 169.73 22.78 Favored 'General case' 0 N--CA 1.456 -0.143 0 C-N-CA 123.4 0.68 . . . . 0.0 112.288 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' ARG . . . . . . . . . . . . . 4.7 mpp_? -65.5 156.22 33.19 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 108.147 -1.057 . . . . 0.0 108.147 165.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -62.25 -36.32 81.67 Favored 'General case' 0 C--N 1.334 -0.107 0 O-C-N 121.095 -1.003 . . . . 0.0 111.523 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.8 -22.44 66.91 Favored 'General case' 0 CA--C 1.529 0.137 0 C-N-CA 123.979 0.912 . . . . 0.0 112.974 175.407 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' ILE . . . . . . . . . . . . . 21.5 mm -94.36 -41.3 12.17 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 C-N-CA 124.261 1.024 . . . . 0.0 111.166 178.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' TYR . . . . . . . . . . . . . 21.7 t80 -47.86 -35.96 11.22 Favored 'General case' 0 N--CA 1.451 -0.398 0 C-N-CA 124.853 1.261 . . . . 0.0 112.516 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' GLN . . . . . . . . . . . . . 77.2 mt-30 -61.61 -25.52 67.4 Favored 'General case' 0 N--CA 1.452 -0.333 0 C-N-CA 124.609 1.164 . . . . 0.0 113.277 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -71.69 -44.83 63.52 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 119.703 1.138 . . . . 0.0 110.149 -177.385 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 51' ' ' ILE . . . . . 0.654 ' N ' HD12 ' D' ' 51' ' ' ILE . 2.0 mp -73.96 -18.84 17.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 127.073 2.149 . . . . 0.0 109.951 -176.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 52' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -104.95 -22.77 13.08 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.831 1.252 . . . . 0.0 113.556 -178.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 53' ' ' ALA . . . . . . . . . . . . . . . -93.88 -44.01 8.3 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 119.133 0.878 . . . . 0.0 112.955 -175.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 54' ' ' GLY . . . . . . . . . . . . . . . -156.14 5.0 0.21 Allowed Glycine 0 CA--C 1.525 0.678 0 C-N-CA 123.26 0.457 . . . . 0.0 113.412 -173.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 55' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' D' ' 55' ' ' LEU . 0.0 OUTLIER 64.39 62.47 0.81 Allowed 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 126.816 2.046 . . . . 0.0 110.01 167.334 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 56' ' ' THR . . . . . . . . . . . . . 5.1 m -65.63 -21.79 66.6 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 113.396 -1.729 . . . . 0.0 112.754 -167.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 57' ' ' ALA . . . . . . . . . . . . . . . -134.11 136.88 27.0 Favored Pre-proline 0 N--CA 1.451 -0.39 0 N-CA-C 107.09 -1.448 . . . . 0.0 107.09 164.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 58' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -59.99 176.86 0.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.829 0 C-N-CA 123.161 2.574 . . . . 0.0 113.233 177.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 59' ' ' ASP . . . . . . . . . . . . . 32.0 t70 . . . . . 0 N--CA 1.455 -0.222 0 C-N-CA 124.503 1.121 . . . . 0.0 113.19 -174.506 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' MET . . . . . . . . . . . . . 15.2 ttt . . . . . 0 N--CA 1.475 0.789 0 N-CA-C 110.351 -0.24 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' LEU . . . . . . . . . . . . . 4.0 tt -124.0 110.28 14.58 Favored 'General case' 0 N--CA 1.454 -0.268 0 C-N-CA 124.13 0.972 . . . . 0.0 109.418 -176.2 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' ILE . . . . . . . . . . . . . 3.0 mp -100.49 135.94 34.21 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.201 0 C-N-CA 123.853 0.861 . . . . 0.0 109.397 179.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' LEU . . . . . . . . . . . . . 85.3 mt -131.43 163.18 28.5 Favored 'General case' 0 N--CA 1.453 -0.295 0 C-N-CA 125.122 1.369 . . . . 0.0 110.898 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' THR . . . . . . . . . . . . . 1.9 m -132.75 100.94 5.09 Favored 'General case' 0 N--CA 1.454 -0.225 0 N-CA-C 108.438 -0.949 . . . . 0.0 108.438 167.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' ARG . . . . . 0.408 ' HE ' ' HB2' ' E' ' 10' ' ' GLU . 12.1 ptm180 -105.01 162.15 13.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 126.536 1.934 . . . . 0.0 109.127 -179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' LYS . . . . . . . . . . . . . 12.7 pttm -105.91 175.26 5.55 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 118.799 0.727 . . . . 0.0 112.507 168.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' VAL . . . . . . . . . . . . . 8.7 m -55.54 138.99 15.27 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.162 0 CA-C-O 120.979 0.419 . . . . 0.0 111.975 171.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.17 -5.78 84.52 Favored Glycine 0 CA--C 1.528 0.848 0 CA-C-O 118.968 -0.907 . . . . 0.0 115.116 -177.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' GLU . . . . . 0.408 ' HB2' ' HE ' ' E' ' 6' ' ' ARG . 72.2 mm-40 -72.91 166.75 22.41 Favored 'General case' 0 N--CA 1.456 -0.142 0 CA-C-N 119.593 1.697 . . . . 0.0 111.882 173.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' SER . . . . . . . . . . . . . 41.0 m -131.36 149.12 52.67 Favored 'General case' 0 N--CA 1.455 -0.217 0 C-N-CA 123.974 0.909 . . . . 0.0 111.786 169.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 12' ' ' ILE . . . . . . . . . . . . . 37.1 mm -129.15 155.35 41.08 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.216 0 C-N-CA 126.518 1.927 . . . . 0.0 108.054 177.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 13' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -130.43 149.85 51.92 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 121.641 -0.662 . . . . 0.0 112.479 -178.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 14' ' ' ILE . . . . . . . . . . . . . 50.2 mt -134.92 139.28 47.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.23 0 C-N-CA 124.48 1.112 . . . . 0.0 109.074 179.079 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 15' ' ' GLY . . . . . . . . . . . . . . . 60.01 -135.67 50.32 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -176.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 16' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -124.77 9.91 8.3 Favored 'General case' 0 N--CA 1.456 -0.164 0 C-N-CA 124.285 1.034 . . . . 0.0 111.372 175.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 17' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -140.13 -7.17 1.21 Allowed 'General case' 0 N--CA 1.454 -0.237 0 N-CA-C 114.048 1.129 . . . . 0.0 114.048 -169.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 18' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.38 136.9 54.07 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 CA-C-N 119.275 0.943 . . . . 0.0 111.091 -171.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 19' ' ' THR . . . . . . . . . . . . . 23.5 m -129.92 142.53 50.64 Favored 'General case' 0 N--CA 1.456 -0.136 0 C-N-CA 124.73 1.212 . . . . 0.0 110.577 177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 20' ' ' ILE . . . . . . . . . . . . . 13.4 mm -129.58 117.56 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 124.786 1.234 . . . . 0.0 109.628 -177.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 21' ' ' THR . . . . . . . . . . . . . 39.4 m -115.23 131.62 56.87 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 123.76 0.824 . . . . 0.0 110.271 -177.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 22' ' ' ILE . . . . . . . . . . . . . 2.2 tp -84.66 113.12 22.8 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.206 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 172.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 23' ' ' LEU . . . . . . . . . . . . . 16.0 mt -78.06 -32.67 50.94 Favored 'General case' 0 N--CA 1.455 -0.223 0 C-N-CA 122.749 0.42 . . . . 0.0 110.457 -177.046 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.39 -173.22 35.48 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 123.611 0.624 . . . . 0.0 113.029 168.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 25' ' ' VAL . . . . . . . . . . . . . 8.1 m -119.03 159.7 19.46 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.165 0 C-N-CA 123.417 0.687 . . . . 0.0 111.699 178.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 12.6 p -149.98 91.28 1.76 Allowed 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 124.2 1.0 . . . . 0.0 109.709 169.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.4 -119.32 7.74 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -170.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 28' ' ' GLN . . . . . . . . . . . . . 18.0 mm100 -90.06 -14.77 33.12 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 117.436 0.618 . . . . 0.0 111.954 174.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 29' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -70.51 144.36 51.38 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.694 0.759 . . . . 0.0 110.021 175.628 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 30' ' ' VAL . . . . . . . . . . . . . 58.7 t -136.16 110.56 10.34 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.502 0 C-N-CA 126.562 1.945 . . . . 0.0 106.116 -177.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 31' ' ' ARG . . . . . . . . . . . . . 51.1 ttt-85 -88.57 123.82 33.43 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 124.284 1.034 . . . . 0.0 108.779 -177.07 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.2 mt -129.4 138.51 54.16 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.125 0 C-N-CA 123.172 0.589 . . . . 0.0 110.882 -167.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -107.52 139.13 14.88 Favored Glycine 0 CA--C 1.525 0.691 0 C-N-CA 124.704 1.145 . . . . 0.0 111.383 170.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 34' ' ' ILE . . . . . . . . . . . . . 77.6 mt -131.29 129.89 62.8 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.275 0 C-N-CA 124.64 1.176 . . . . 0.0 109.351 -177.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 35' ' ' ASN . . . . . . . . . . . . . 51.2 t-20 -128.88 99.06 5.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 -173.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 36' ' ' ALA . . . . . . . . . . . . . . . -135.82 154.93 78.21 Favored Pre-proline 0 N--CA 1.453 -0.311 0 C-N-CA 124.746 1.219 . . . . 0.0 110.746 178.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 37' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_endo -62.81 157.53 47.46 Favored 'Trans proline' 0 N--CA 1.452 -0.966 0 C-N-CA 123.11 2.54 . . . . 0.0 112.086 171.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 mmmp? -71.83 -0.99 12.57 Favored 'General case' 0 N--CA 1.457 -0.11 0 N-CA-C 112.732 0.641 . . . . 0.0 112.732 172.433 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 39' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -65.82 -22.88 66.58 Favored 'General case' 0 N--CA 1.453 -0.285 0 C-N-CA 124.434 1.093 . . . . 0.0 111.712 169.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 13.1 m -121.08 157.82 24.07 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 C-N-CA 124.069 0.947 . . . . 0.0 110.552 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.73 157.32 16.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.973 174.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 42' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -154.97 126.54 0.93 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.251 0 C-N-CA 122.979 0.511 . . . . 0.0 109.833 168.652 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 43' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -148.64 170.41 18.19 Favored 'General case' 0 N--CA 1.455 -0.216 0 C-N-CA 124.02 0.928 . . . . 0.0 109.859 173.555 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 44' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -71.19 156.4 39.61 Favored 'General case' 0 N--CA 1.453 -0.317 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 168.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -61.82 -23.89 66.53 Favored 'General case' 0 N--CA 1.456 -0.154 0 CA-C-O 121.057 0.456 . . . . 0.0 111.069 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 46' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -66.49 -35.52 80.46 Favored 'General case' 0 N--CA 1.451 -0.385 0 C-N-CA 125.757 1.623 . . . . 0.0 111.994 174.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 47' ' ' ILE . . . . . . . . . . . . . 1.7 mp -89.69 -32.49 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.2 0 C-N-CA 124.286 1.034 . . . . 0.0 109.683 -179.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 48' ' ' TYR . . . . . 0.41 ' CE2' ' HG3' ' E' ' 52' ' ' GLN . 71.9 t80 -54.99 -34.91 63.82 Favored 'General case' 0 N--CA 1.452 -0.35 0 C-N-CA 124.152 0.981 . . . . 0.0 112.43 179.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 49' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -68.68 -27.14 65.71 Favored 'General case' 0 N--CA 1.455 -0.214 0 C-N-CA 123.425 0.69 . . . . 0.0 112.824 -179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 50' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -68.5 -25.73 65.1 Favored 'General case' 0 N--CA 1.457 -0.099 0 C-N-CA 123.009 0.524 . . . . 0.0 109.814 175.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 51' ' ' ILE . . . . . 0.411 ' HA ' HD21 ' E' ' 55' ' ' LEU . 88.4 mt -99.02 -29.67 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.481 0 C-N-CA 124.497 1.119 . . . . 0.0 110.581 -172.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 52' ' ' GLN . . . . . 0.41 ' HG3' ' CE2' ' E' ' 48' ' ' TYR . 74.7 mm-40 -85.19 3.23 40.2 Favored 'General case' 0 N--CA 1.453 -0.316 0 N-CA-C 115.572 1.693 . . . . 0.0 115.572 176.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.84 4.08 0.13 Allowed 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 169.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 54' ' ' GLY . . . . . 0.681 ' C ' HD13 ' E' ' 55' ' ' LEU . . . 133.99 -120.78 2.57 Favored Glycine 0 C--N 1.339 0.696 0 C-N-CA 126.058 1.79 . . . . 0.0 109.802 -169.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 55' ' ' LEU . . . . . 0.681 HD13 ' C ' ' E' ' 54' ' ' GLY . 0.0 OUTLIER 36.62 -12.41 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.271 2 C-N-CA 132.837 4.455 . . . . 0.0 122.961 163.319 . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' E' E ' 56' ' ' THR . . . . . 0.592 ' N ' HD22 ' E' ' 55' ' ' LEU . 5.1 p -59.73 -30.12 68.61 Favored 'General case' 0 C--N 1.337 0.052 0 CA-C-N 121.917 2.144 . . . . 0.0 112.173 -165.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 57' ' ' ALA . . . . . . . . . . . . . . . -114.0 99.23 50.04 Favored Pre-proline 0 N--CA 1.452 -0.367 0 N-CA-C 107.512 -1.292 . . . . 0.0 107.512 167.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 58' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -65.48 175.88 3.87 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.523 2.148 . . . . 0.0 113.799 -169.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 59' ' ' ASP . . . . . . . . . . . . . 27.0 t70 . . . . . 0 N--CA 1.453 -0.313 0 C-N-CA 124.321 1.048 . . . . 0.0 112.697 178.292 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 1' ' ' MET . . . . . . . . . . . . . 6.0 tpt . . . . . 0 N--CA 1.475 0.808 0 N-CA-C 110.734 -0.098 . . . . 0.0 110.734 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt -95.86 147.97 23.09 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 122.969 0.508 . . . . 0.0 111.503 176.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 3' ' ' ILE . . . . . . . . . . . . . 4.1 mp -127.54 137.08 58.74 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.32 0 C-N-CA 123.455 0.702 . . . . 0.0 109.792 171.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 4' ' ' LEU . . . . . . . . . . . . . 90.5 mt -136.49 161.21 36.49 Favored 'General case' 0 N--CA 1.451 -0.386 0 C-N-CA 124.882 1.273 . . . . 0.0 110.367 -174.686 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.85 99.37 4.58 Favored 'General case' 0 N--CA 1.457 -0.117 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 168.566 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 6' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -104.98 162.06 13.68 Favored 'General case' 0 N--CA 1.456 -0.132 0 C-N-CA 124.59 1.156 . . . . 0.0 109.507 176.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 7' ' ' LYS . . . . . . . . . . . . . 22.6 pttm -121.11 171.98 8.29 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 172.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 8' ' ' VAL . . . . . . . . . . . . . 8.8 m -54.52 134.77 17.5 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.397 -0.819 . . . . 0.0 112.725 -170.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . 90.21 -2.82 81.8 Favored Glycine 0 CA--C 1.527 0.802 0 C-N-CA 124.104 0.859 . . . . 0.0 114.326 -179.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 10' ' ' GLU . . . . . . . . . . . . . 87.2 mt-10 -98.9 169.34 9.52 Favored 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 118.702 1.251 . . . . 0.0 111.12 179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 11' ' ' SER . . . . . . . . . . . . . 58.0 m -135.77 160.84 37.3 Favored 'General case' 0 C--O 1.232 0.147 0 N-CA-C 113.695 0.998 . . . . 0.0 113.695 -169.241 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 12' ' ' ILE . . . . . . . . . . . . . 15.7 mt -139.37 154.92 25.44 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.14 0 C-N-CA 126.379 1.872 . . . . 0.0 108.592 -179.16 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -130.69 148.72 52.51 Favored 'General case' 0 N--CA 1.455 -0.198 0 C-N-CA 123.771 0.828 . . . . 0.0 112.348 -177.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 14' ' ' ILE . . . . . . . . . . . . . 40.7 mt -136.02 144.79 32.34 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.164 0 C-N-CA 124.635 1.174 . . . . 0.0 108.928 177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.88 -132.49 52.58 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -170.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 16' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -128.37 9.99 6.17 Favored 'General case' 0 N--CA 1.454 -0.247 0 C-N-CA 123.487 0.715 . . . . 0.0 111.727 169.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 17' ' ' ASP . . . . . . . . . . . . . 18.6 m-20 -136.36 -11.47 1.89 Allowed 'General case' 0 N--CA 1.456 -0.159 0 C-N-CA 123.713 0.805 . . . . 0.0 113.097 -170.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 18' ' ' ILE . . . . . . . . . . . . . 5.0 mp -105.16 137.52 34.26 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.224 0 CA-C-N 118.597 0.635 . . . . 0.0 110.272 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 19' ' ' THR . . . . . . . . . . . . . 24.5 m -131.59 141.66 49.72 Favored 'General case' 0 N--CA 1.455 -0.205 0 C-N-CA 124.125 0.97 . . . . 0.0 110.387 178.337 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 20' ' ' ILE . . . . . . . . . . . . . 20.3 mm -120.55 139.86 46.47 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.291 0 C-N-CA 125.585 1.554 . . . . 0.0 108.087 173.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 21' ' ' THR . . . . . . . . . . . . . 50.7 m -137.42 124.38 21.41 Favored 'General case' 0 N--CA 1.456 -0.162 0 C-N-CA 123.15 0.58 . . . . 0.0 109.762 175.093 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 22' ' ' ILE . . . . . . . . . . . . . 2.0 tp -76.07 116.48 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.245 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 170.355 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 23' ' ' LEU . . . . . . . . . . . . . 9.7 mt -85.19 -29.5 24.66 Favored 'General case' 0 N--CA 1.454 -0.242 0 C-N-CA 123.076 0.55 . . . . 0.0 110.908 -178.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 24' ' ' GLY . . . . . . . . . . . . . . . 156.58 -176.02 34.03 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 123.295 0.474 . . . . 0.0 113.51 170.757 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 25' ' ' VAL . . . . . . . . . . . . . 2.5 m -127.96 157.78 39.96 Favored 'Isoleucine or valine' 0 CA--C 1.526 0.03 0 CA-C-N 117.621 0.711 . . . . 0.0 112.586 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 23.0 t -150.07 104.86 3.32 Favored 'General case' 0 N--CA 1.453 -0.275 0 C-N-CA 124.534 1.133 . . . . 0.0 109.351 168.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.72 -114.25 5.24 Favored Glycine 0 CA--C 1.525 0.674 0 O-C-N 121.587 -0.696 . . . . 0.0 111.776 -176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 28' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -95.4 -13.16 24.9 Favored 'General case' 0 N--CA 1.455 -0.178 0 CA-C-N 117.626 0.713 . . . . 0.0 111.53 170.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 29' ' ' GLN . . . . . . . . . . . . . 83.5 mm-40 -74.25 141.3 45.38 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-O 121.327 0.584 . . . . 0.0 109.8 -178.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 30' ' ' VAL . . . . . . . . . . . . . 47.0 t -137.35 105.71 3.96 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.393 0 N-CA-C 106.174 -1.788 . . . . 0.0 106.174 -174.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 31' ' ' ARG . . . . . . . . . . . . . 35.2 ttm180 -86.94 123.26 31.87 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 123.359 0.664 . . . . 0.0 109.401 -176.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 1.1 mt -133.91 134.99 55.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.193 0 C-N-CA 123.461 0.704 . . . . 0.0 110.443 -168.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -99.63 141.71 15.62 Favored Glycine 0 CA--C 1.524 0.605 0 C-N-CA 124.086 0.85 . . . . 0.0 111.619 171.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 34' ' ' ILE . . . . . . . . . . . . . 26.3 mt -127.08 139.77 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.229 0 C-N-CA 124.689 1.196 . . . . 0.0 109.079 178.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 35' ' ' ASN . . . . . . . . . . . . . 49.0 t-20 -134.16 114.67 13.35 Favored 'General case' 0 N--CA 1.45 -0.43 0 C-N-CA 123.613 0.765 . . . . 0.0 109.236 177.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.71 157.22 75.42 Favored Pre-proline 0 N--CA 1.453 -0.293 0 C-N-CA 123.637 0.775 . . . . 0.0 111.54 176.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 37' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -66.04 162.04 37.18 Favored 'Trans proline' 0 N--CA 1.451 -1.019 0 C-N-CA 123.09 2.527 . . . . 0.0 112.211 173.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 38' ' ' LYS . . . . . . . . . . . . . 47.9 mmtm -71.93 -4.03 25.98 Favored 'General case' 0 N--CA 1.455 -0.185 0 C-N-CA 123.398 0.679 . . . . 0.0 112.575 172.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 39' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -69.92 -19.65 63.38 Favored 'General case' 0 N--CA 1.453 -0.319 0 C-N-CA 124.687 1.195 . . . . 0.0 112.376 172.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.1 m -126.9 165.42 25.47 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.144 0 C-N-CA 123.718 0.807 . . . . 0.0 111.214 -177.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 41' ' ' ALA . . . . . . . . . . . . . . . -98.37 161.83 13.49 Favored 'General case' 0 N--CA 1.452 -0.351 0 C-N-CA 123.548 0.739 . . . . 0.0 111.432 172.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 42' ' ' VAL . . . . . . . . . . . . . 2.6 p -155.02 119.84 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.456 -0.135 0 C-N-CA 123.315 0.646 . . . . 0.0 110.528 172.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 43' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -151.62 173.14 15.01 Favored 'General case' 0 N--CA 1.456 -0.142 0 C-N-CA 124.335 1.054 . . . . 0.0 110.063 178.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 44' ' ' ARG . . . . . . . . . . . . . 4.9 ptm85 -76.9 160.72 28.98 Favored 'General case' 0 N--CA 1.454 -0.239 0 O-C-N 121.796 -0.565 . . . . 0.0 110.521 169.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 tm-20 -60.34 -26.23 66.42 Favored 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 123.504 0.722 . . . . 0.0 112.0 -171.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 46' ' ' GLU . . . . . . . . . . . . . 69.0 tt0 -58.66 -45.87 88.41 Favored 'General case' 0 N--CA 1.453 -0.281 0 C-N-CA 124.852 1.261 . . . . 0.0 111.78 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 47' ' ' ILE . . . . . . . . . . . . . 18.7 mm -85.26 -29.23 6.45 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.252 0 C-N-CA 123.798 0.839 . . . . 0.0 110.21 -172.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 48' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -54.83 -35.05 63.54 Favored 'General case' 0 N--CA 1.453 -0.306 0 C-N-CA 123.952 0.901 . . . . 0.0 112.737 176.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 49' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -67.06 -26.19 66.62 Favored 'General case' 0 N--CA 1.455 -0.208 0 C-N-CA 123.497 0.719 . . . . 0.0 112.425 -177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 50' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -71.82 -22.8 61.5 Favored 'General case' 0 N--CA 1.457 -0.104 0 C-N-CA 123.704 0.802 . . . . 0.0 110.714 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 51' ' ' ILE . . . . . . . . . . . . . 96.5 mt -96.84 -47.88 12.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 C-N-CA 123.971 0.908 . . . . 0.0 109.837 -170.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 52' ' ' GLN . . . . . . . . . . . . . 67.5 mm-40 -70.64 3.03 3.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 N-CA-C 113.134 0.79 . . . . 0.0 113.134 177.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.91 -22.19 66.56 Favored 'General case' 0 N--CA 1.451 -0.413 0 C-N-CA 123.906 0.883 . . . . 0.0 112.691 169.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 54' ' ' GLY . . . . . . . . . . . . . . . 158.21 23.91 0.03 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 114.577 0.591 . . . . 0.0 114.577 169.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 55' ' ' LEU . . . . . . . . . . . . . 3.2 pp -156.43 -174.59 5.01 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 118.177 0.989 . . . . 0.0 111.368 -169.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 56' ' ' THR . . . . . . . . . . . . . 10.6 m -127.49 -32.22 2.44 Favored 'General case' 0 N--CA 1.457 -0.078 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 178.242 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 57' ' ' ALA . . . . . 0.645 ' H ' ' CD ' ' F' ' 58' ' ' PRO . . . -155.39 -32.63 0.0 OUTLIER Pre-proline 0 N--CA 1.453 -0.299 0 CA-C-O 117.781 -1.104 . . . . 0.0 113.759 -171.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 58' ' ' PRO . . . . . 0.645 ' CD ' ' H ' ' F' ' 57' ' ' ALA . 31.3 Cg_exo -73.38 176.49 9.17 Favored 'Trans proline' 0 N--CA 1.453 -0.898 0 CA-C-N 121.098 1.428 . . . . 0.0 113.798 -174.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 59' ' ' ASP . . . . . . . . . . . . . 27.8 t70 . . . . . 0 N--CA 1.453 -0.296 0 C-N-CA 124.649 1.18 . . . . 0.0 111.835 177.107 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 1' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 0 O4'-C1'-N19 112.051 3.851 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 2' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.199 0 O4'-C1'-N19 111.647 3.447 . 0.298 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 3' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.094 1 O4'-C1'-N19 112.662 4.462 . 0.55 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 4' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.254 0 O4'-C1'-N19 112.185 3.985 . 0.29 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 5' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 0 O4'-C1'-N19 111.719 3.519 . 0.011 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 6' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.076 0 C5'-C4'-O4' 114.442 3.744 . 0.021 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 7' ' ' ' C' . . . . . 0.529 ' C2 ' HD11 ' D' ' 51' ' ' ILE . . . . . . . . 0 O4'--C4' 1.418 -2.947 1 C5'-C4'-C3' 109.199 -4.201 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 8' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.098 0 C3'-C2'-C1' 104.487 3.319 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 9' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.331 0 O5'-C5'-C4' 113.802 2.573 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 10' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.266 0 C3'-C2'-C1' 104.971 3.856 . 0.233 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 11' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 1 O4'-C1'-N19 112.375 4.175 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 12' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.078 0 O4'-C4'-C3' 108.45 2.107 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 13' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.188 0 C5'-C4'-C3' 110.584 -3.278 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 14' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.193 0 C4'-C3'-C2' 100.213 -2.487 . 0.886 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 15' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.162 0 O4'-C1'-N19 111.477 3.277 . 0.88 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 16' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 0 O4'-C1'-N19 111.22 3.02 . 0.388 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 17' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.176 0 C5'-C4'-C3' 112.533 -1.978 . 0.279 1c . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 18' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.201 0 C4'-C3'-C2' 100.394 -2.306 . 0.069 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 19' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.154 0 O4'-C1'-N19 111.167 2.967 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 20' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.073 0 O4'-C1'-N19 112.144 3.944 . 0.667 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 21' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.305 1 O4'-C1'-N19 112.446 4.246 . 0.551 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 22' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.099 0 C4'-C3'-C2' 99.794 -2.906 . 0.079 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 23' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.029 1 O4'-C1'-N19 112.689 4.489 . 0.589 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 24' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.215 0 O4'-C1'-N19 112.126 3.926 . 0.43 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 25' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.196 0 N19-C1'-C2' 108.536 -3.04 . 0.728 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 26' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.911 0 O4'-C1'-N19 110.785 2.585 . 0.406 3d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 27' ' ' ' G' . . . . . 0.465 ' H1 ' ' HB3' ' B' ' 43' ' ' HIS . . . . . . . . 0 O4'--C4' 1.413 -3.296 0 C5'-C4'-C3' 111.841 -2.439 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 28' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.391 0 C5'-C4'-C3' 112.139 -2.24 . 0.082 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 29' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.274 0 C5'-C4'-C3' 111.574 -2.617 OUTLIER-DELTA 0.01 0k . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 30' ' ' ' C' . . . . . 0.414 " H1'" HD13 ' B' ' 23' ' ' LEU . . . . . . . . 0 O4'--C4' 1.414 -3.236 0 O4'-C1'-N19 111.692 3.492 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 31' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.247 0 C4'-C3'-C2' 100.426 -2.274 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 32' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 O4'-C1'-N19 111.334 3.134 . 0.679 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 33' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.182 1 O4'-C1'-N19 112.292 4.092 . 0.866 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 34' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.105 0 C4'-C3'-C2' 99.127 -3.573 . 0.432 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 35' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.024 0 C4'-C3'-C2' 99.804 -2.896 . 0.219 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 36' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.164 0 O4'-C1'-N19 111.558 3.358 . 0.659 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 37' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.23 0 C4'-C3'-C2' 100.205 -2.495 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 38' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.151 0 O4'-C1'-N19 111.539 3.339 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 39' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.303 0 C3'-C2'-C1' 104.167 2.964 . 0.208 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 40' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.235 1 O4'-C1'-N19 113.16 4.96 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 41' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.419 1 C5'-C4'-C3' 109.222 -4.186 . 0.055 6n . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 42' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.327 2 O4'-C1'-N19 113.344 5.144 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 43' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.181 1 O4'-C1'-N19 112.588 4.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 44' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.101 1 O4'-C1'-N19 112.697 4.497 . 0.01 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 45' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.117 1 O4'-C1'-N19 112.859 4.659 . 0.349 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 46' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.1 0 C4'-C3'-C2' 99.833 -2.867 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 47' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.042 0 O4'-C1'-N19 112.128 3.928 . 0.525 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 48' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.319 1 C3'-C2'-C1' 105.12 4.022 . 0.237 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 49' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.102 0 C4'-C3'-C2' 99.746 -2.954 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 50' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.156 0 C5'-C4'-C3' 110.812 -3.126 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 51' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.412 -3.431 0 C5'-C4'-C3' 111.33 -2.78 . 0.387 6n . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 52' ' ' ' A' . . . . . 0.455 " H5'" HD11 ' B' ' 3' ' ' ILE . . . . . . . . 0 O4'--C4' 1.413 -3.307 3 C5'-C4'-C3' 108.035 -4.976 OUTLIER-EPSILON 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' G' G ' 53' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.97 1 P-O3'-C3' 126.878 5.982 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 54' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.046 1 O4'-C1'-N19 112.359 4.159 . 0.538 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 55' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.125 0 C4'-C3'-C2' 99.718 -2.982 . 0.46 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 56' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.246 0 O4'-C1'-N19 111.144 2.944 . 0.452 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 57' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.136 0 C5'-C4'-C3' 111.058 -2.961 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 58' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.0 0 O4'-C1'-N19 111.856 3.656 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 59' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.991 0 O4'-C1'-N19 111.947 3.747 . 0.4 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 60' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.413 -3.344 0 O4'-C1'-N19 111.307 3.107 . 0.205 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 61' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.99 0 O4'-C1'-N19 111.748 3.548 . 0.323 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 62' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.112 1 O4'-C1'-N19 112.383 4.183 . 0.497 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 63' ' ' ' A' . . . . . 0.498 " H2'" ' C8 ' ' G' ' 64' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.413 -3.322 1 C3'-C2'-C1' 105.682 4.647 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' G' G ' 64' ' ' ' G' . . . . . 0.498 ' C8 ' " H2'" ' G' ' 63' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.415 -3.187 0 C4'-C3'-C2' 99.996 -2.704 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 65' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.261 0 O4'-C1'-N19 110.663 2.463 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 66' ' ' ' A' . . . . . 0.593 " C2'" H5'' ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.335 1 C3'-C2'-C1' 105.663 4.625 . 0.302 6n . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 67' ' ' ' C' . . . . . 0.593 H5'' " C2'" ' G' ' 66' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.41 -3.549 1 O5'-C5'-C4' 120.182 7.13 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 020 nuclear nobuild full ' G' G ' 68' ' ' ' G' . . . . . 0.552 " C5'" " H4'" ' G' ' 67' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.413 -3.3 1 P-O3'-C3' 126.33 5.525 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 69' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.08 0 C5'-C4'-C3' 111.418 -2.721 . 0.879 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 70' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.126 1 O4'-C1'-N19 112.627 4.427 . 0.508 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 71' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.049 0 C4'-C3'-C2' 99.343 -3.357 . 0.496 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 72' ' ' ' A' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.135 0 C5'-C4'-C3' 111.345 -2.77 . 0.592 1a . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_